smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(CN2CC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000092455512 778496920 /nfs/dbraw/zinc/49/69/20/778496920.db2.gz PWEDNTIQMVSJRM-ZDUSSCGKSA-N 0 3 322.405 2.500 20 10 DECDHN CN(C)c1ccc2c(c1)OCCN2C(=O)C1(N(C)C)CCCC1 ZINC001147887616 791638932 /nfs/dbraw/zinc/63/89/32/791638932.db2.gz BNTJQSQHDJSEMQ-UHFFFAOYSA-N 0 3 317.433 2.352 20 10 DECDHN CN(C)CCN(C(=O)NCc1ccc(N)cc1)C1CCCC1 ZINC001120592035 795493923 /nfs/dbraw/zinc/49/39/23/795493923.db2.gz PKZJLTCQMRSPQJ-UHFFFAOYSA-N 0 3 304.438 2.285 20 10 DECDHN COC(=O)[C@H]1[C@@H]2CN(Cc3ccc(N4CCCC4)cc3)C[C@@H]21 ZINC001204321939 795617502 /nfs/dbraw/zinc/61/75/02/795617502.db2.gz MDHWDBBPEODXON-FVQHAEBGSA-N 0 3 300.402 2.138 20 10 DECDHN COc1cc(C)c(C[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)c([O-])c1 ZINC001182872129 795770866 /nfs/dbraw/zinc/77/08/66/795770866.db2.gz BEGMGKKYBXNXEJ-MTNMJMNLSA-N 0 3 311.447 2.489 20 10 DECDHN CCOC(=O)[C@@H]1CN(Cc2c(C)ccc(C)c2O)CCS1 ZINC001140184594 796487687 /nfs/dbraw/zinc/48/76/87/796487687.db2.gz AXEWJWPOZLCNAY-AWEZNQCLSA-N 0 3 309.431 2.490 20 10 DECDHN C[NH+](C)CCCN1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC001140341249 796509674 /nfs/dbraw/zinc/50/96/74/796509674.db2.gz GKCVAENGUZYIJO-UHFFFAOYSA-N 0 3 311.857 2.115 20 10 DECDHN CCCCN1CCN(Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141028250 796620700 /nfs/dbraw/zinc/62/07/00/796620700.db2.gz HJZZZQFIHUNKLW-UHFFFAOYSA-N 0 3 308.422 2.327 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c(OC)c1 ZINC001141032552 796622645 /nfs/dbraw/zinc/62/26/45/796622645.db2.gz GKKCNGNCDWSHRH-AAEUAGOBSA-N 0 3 305.374 2.210 20 10 DECDHN COc1cc([O-])c(C[N@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c(OC)c1 ZINC001141032552 796622647 /nfs/dbraw/zinc/62/26/47/796622647.db2.gz GKKCNGNCDWSHRH-AAEUAGOBSA-N 0 3 305.374 2.210 20 10 DECDHN CCC(=O)NC1CCN(Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141143246 796638756 /nfs/dbraw/zinc/63/87/56/796638756.db2.gz QRDRFDPXKAXWAP-UHFFFAOYSA-N 0 3 317.433 2.006 20 10 DECDHN CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3[O-])C[C@H]21 ZINC001203549892 800077615 /nfs/dbraw/zinc/07/76/15/800077615.db2.gz BNLXSPHBNVQRGM-NHAGDIPZSA-N 0 3 304.390 2.347 20 10 DECDHN CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[O-])C[C@H]21 ZINC001203549892 800077622 /nfs/dbraw/zinc/07/76/22/800077622.db2.gz BNLXSPHBNVQRGM-NHAGDIPZSA-N 0 3 304.390 2.347 20 10 DECDHN COCCN1CCN(Cc2ccccc2O)Cc2cccnc21 ZINC001203553042 800079233 /nfs/dbraw/zinc/07/92/33/800079233.db2.gz ZESGGXWSHVVYFP-UHFFFAOYSA-N 0 3 313.401 2.256 20 10 DECDHN CCOc1cccc(CN2CCC3(CC(=O)CO3)CC2)c1O ZINC001203603196 800087759 /nfs/dbraw/zinc/08/77/59/800087759.db2.gz JZNDTXIHJMOGIM-UHFFFAOYSA-N 0 3 305.374 2.115 20 10 DECDHN COc1ccc(C[NH+]2CCC(C(C)(C)C(N)=O)CC2)c([O-])c1 ZINC001203627896 800094269 /nfs/dbraw/zinc/09/42/69/800094269.db2.gz RBVWJHALGQUGHF-UHFFFAOYSA-N 0 3 306.406 2.124 20 10 DECDHN [O-]c1ccc(Cl)cc1CN1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001203665528 800101845 /nfs/dbraw/zinc/10/18/45/800101845.db2.gz NVUCFQLZIGCVEB-OAHLLOKOSA-N 0 3 310.825 2.342 20 10 DECDHN COc1ccc(O)c(CN2CCC[C@H](NC(=O)NC(C)C)C2)c1 ZINC001203681084 800105123 /nfs/dbraw/zinc/10/51/23/800105123.db2.gz OOGVUWXEBIPJCO-AWEZNQCLSA-N 0 3 321.421 2.073 20 10 DECDHN CC1(C(=O)N2CCCC2)CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203881091 800139308 /nfs/dbraw/zinc/13/93/08/800139308.db2.gz DGBSTBCGTGODEX-UHFFFAOYSA-N 0 3 318.417 2.322 20 10 DECDHN O=C([C@H]1CCCCN1Cc1ccc(O)cc1O)N1CCCC1 ZINC001204274424 800197653 /nfs/dbraw/zinc/19/76/53/800197653.db2.gz ANTIFNXFOHVXQN-OAHLLOKOSA-N 0 3 304.390 2.075 20 10 DECDHN CC(C)CC(=O)NC1CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204275616 800199539 /nfs/dbraw/zinc/19/95/39/800199539.db2.gz XGHVZJQGFFOZQI-UHFFFAOYSA-N 0 3 306.406 2.225 20 10 DECDHN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCN2C(C)C)c1 ZINC000934941402 800505548 /nfs/dbraw/zinc/50/55/48/800505548.db2.gz XJPPJKVWKXJGAW-SWLSCSKDSA-N 0 3 306.406 2.451 20 10 DECDHN CCOc1ccc(N2CCN(CCCn3cccn3)CC2)cc1 ZINC001208084383 800909957 /nfs/dbraw/zinc/90/99/57/800909957.db2.gz QCROCYKRMGJTPD-UHFFFAOYSA-N 0 3 314.433 2.494 20 10 DECDHN COC(=O)[C@@H]1C[C@H](C)CN(Cc2ccc(N(C)C)cc2OC)C1 ZINC001231854019 801737557 /nfs/dbraw/zinc/73/75/57/801737557.db2.gz VXFGHKSOZCAYTL-DZGCQCFKSA-N 0 3 320.433 2.392 20 10 DECDHN C[N@H+](Cc1ccc(NS(C)(=O)=O)cc1)Cc1ccccc1[O-] ZINC001233268246 802058843 /nfs/dbraw/zinc/05/88/43/802058843.db2.gz BLKJRNUJGCQISB-UHFFFAOYSA-N 0 3 320.414 2.396 20 10 DECDHN C[N@@H+](Cc1ccc(NS(C)(=O)=O)cc1)Cc1ccccc1[O-] ZINC001233268246 802058850 /nfs/dbraw/zinc/05/88/50/802058850.db2.gz BLKJRNUJGCQISB-UHFFFAOYSA-N 0 3 320.414 2.396 20 10 DECDHN CC(C)(C)OC(=O)C[C@@H]1CCCN1Cc1cc(O)c(O)cc1O ZINC001233486265 802127221 /nfs/dbraw/zinc/12/72/21/802127221.db2.gz FUXJFERGGXCZHY-LBPRGKRZSA-N 0 3 323.389 2.500 20 10 DECDHN C[C@H](Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O)C1C[NH2+]C1 ZINC001218195510 802153830 /nfs/dbraw/zinc/15/38/30/802153830.db2.gz PWVLIZMTYUOBEU-JTQLQIEISA-N 0 3 323.348 2.154 20 10 DECDHN O=C(c1ccccc1)c1ccc([O-])c(O)c1O[C@H]1CCC[NH2+]C1 ZINC001218283217 802163922 /nfs/dbraw/zinc/16/39/22/802163922.db2.gz IIWRUOHTEZUADG-ZDUSSCGKSA-N 0 3 313.353 2.460 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2c1 ZINC001234518835 802400637 /nfs/dbraw/zinc/40/06/37/802400637.db2.gz OKBILDKCUARLOV-ZDUSSCGKSA-N 0 3 314.385 2.251 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H](C(N)=O)C3)c2c1 ZINC001234518835 802400640 /nfs/dbraw/zinc/40/06/40/802400640.db2.gz OKBILDKCUARLOV-ZDUSSCGKSA-N 0 3 314.385 2.251 20 10 DECDHN CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccc(N(C)C)cc3)C[C@H]1N2C ZINC001227939337 803297758 /nfs/dbraw/zinc/29/77/58/803297758.db2.gz SKJKKSXCNSMPAO-OWLYRPNTSA-N 0 3 318.417 2.298 20 10 DECDHN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CCCCN2C)c1 ZINC001345393096 1150887005 /nfs/dbraw/zinc/88/70/05/1150887005.db2.gz RXSZRXQCWWNCBU-OLZOCXBDSA-N 0 3 321.421 2.245 20 10 DECDHN COc1cc(C)c(C[NH2+]CC(C)(C)C2(O)CCOCC2)c([O-])c1 ZINC001474589453 1060900775 /nfs/dbraw/zinc/90/07/75/1060900775.db2.gz UKSMZIBETRIDPX-UHFFFAOYSA-N 0 3 323.433 2.367 20 10 DECDHN CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2CCCCN2C)cc1 ZINC001519760844 1069071800 /nfs/dbraw/zinc/07/18/00/1069071800.db2.gz MEDBTSVISLQGLS-KRWDZBQOSA-N 0 3 318.465 2.378 20 10 DECDHN [O-]c1ccc(Br)cc1CN1CC2(C1)CCCC[NH2+]2 ZINC001235924106 1079052185 /nfs/dbraw/zinc/05/21/85/1079052185.db2.gz OVYJGBCPBMLRBR-UHFFFAOYSA-N 0 3 311.223 2.483 20 10 DECDHN COC1(OC)CC(NCc2cc(F)c(N(C)C)cc2F)C1 ZINC001560598259 1075142926 /nfs/dbraw/zinc/14/29/26/1075142926.db2.gz SRLXLHZABIKPPA-UHFFFAOYSA-N 0 3 300.349 2.272 20 10 DECDHN CC[C@H](CO)N1CCN(Cc2cc(C(C)C)ccc2O)CC1 ZINC001560628624 1075143638 /nfs/dbraw/zinc/14/36/38/1075143638.db2.gz OJROKUFJANECNV-QGZVFWFLSA-N 0 3 306.450 2.404 20 10 DECDHN C[C@@H](NCc1ccc(S(N)(=O)=O)cc1F)c1ccccc1O ZINC001651501993 1079815028 /nfs/dbraw/zinc/81/50/28/1079815028.db2.gz PQMVSXFMUJYTDS-SNVBAGLBSA-N 0 3 324.377 2.030 20 10 DECDHN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H]2CNCCF)cc1 ZINC001270194963 1081471860 /nfs/dbraw/zinc/47/18/60/1081471860.db2.gz YKUJNBSDNKUETH-CYBMUJFWSA-N 0 3 321.356 2.013 20 10 DECDHN CN(C)C(=O)[C@H]1CCC[C@@]12CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001277192787 1083839634 /nfs/dbraw/zinc/83/96/34/1083839634.db2.gz TTYGBGFPVJJLIQ-QAPCUYQASA-N 0 3 318.417 2.178 20 10 DECDHN CN(C)C(=O)[C@H]1CCC[C@@]12CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001277192787 1083839640 /nfs/dbraw/zinc/83/96/40/1083839640.db2.gz TTYGBGFPVJJLIQ-QAPCUYQASA-N 0 3 318.417 2.178 20 10 DECDHN CC(C)(C)NC(=O)[C@@H]1CC12C[NH+](Cc1c([O-])cccc1F)C2 ZINC001277485311 1083998722 /nfs/dbraw/zinc/99/87/22/1083998722.db2.gz ZDOUBCNYZXBFCR-LBPRGKRZSA-N 0 3 306.381 2.268 20 10 DECDHN Cc1ncsc1CN1CC2(C1)CN(Cc1ccccc1O)C2 ZINC001275267023 1091645080 /nfs/dbraw/zinc/64/50/80/1091645080.db2.gz JFTDYSMURHRRSU-UHFFFAOYSA-N 0 3 315.442 2.475 20 10 DECDHN CCc1ccc(CN2CCN(C[C@@H]3CCCO3)CC2)c(O)c1 ZINC001236788736 1138428698 /nfs/dbraw/zinc/42/86/98/1138428698.db2.gz NZJYWQQDGGMSOE-KRWDZBQOSA-N 0 3 304.434 2.251 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCc3c(cc[nH]c3=O)C2)c([O-])c1 ZINC001237045647 1138487124 /nfs/dbraw/zinc/48/71/24/1138487124.db2.gz IETAWKALQBHVNF-UHFFFAOYSA-N 0 3 300.358 2.450 20 10 DECDHN CCOc1ccc(C[N@H+]2CCc3c(cc[nH]c3=O)C2)c([O-])c1 ZINC001237045647 1138487130 /nfs/dbraw/zinc/48/71/30/1138487130.db2.gz IETAWKALQBHVNF-UHFFFAOYSA-N 0 3 300.358 2.450 20 10 DECDHN CCOc1ccc(C[NH+]2CCC3(CC(=O)CO3)CC2)c([O-])c1 ZINC001237049722 1138489644 /nfs/dbraw/zinc/48/96/44/1138489644.db2.gz IGMUNTQYBCWUCQ-UHFFFAOYSA-N 0 3 305.374 2.115 20 10 DECDHN CCOc1ccc(CN2CCC3(CC(=O)CO3)CC2)c(O)c1 ZINC001237049722 1138489647 /nfs/dbraw/zinc/48/96/47/1138489647.db2.gz IGMUNTQYBCWUCQ-UHFFFAOYSA-N 0 3 305.374 2.115 20 10 DECDHN COCC(=O)N[C@@H]1CCCN(Cc2ccc(C(C)C)cc2O)C1 ZINC001237054516 1138491727 /nfs/dbraw/zinc/49/17/27/1138491727.db2.gz BJMCDTNERLISQL-MRXNPFEDSA-N 0 3 320.433 2.243 20 10 DECDHN NC(=O)C1C[NH+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237648342 1138736244 /nfs/dbraw/zinc/73/62/44/1138736244.db2.gz ZVXWUAAFVYPQKN-UHFFFAOYSA-N 0 3 300.333 2.115 20 10 DECDHN Cc1cc(F)cc(CN2CCN(C3CCOCC3)CC2)c1O ZINC001238061353 1138819265 /nfs/dbraw/zinc/81/92/65/1138819265.db2.gz GYIVVHMRCXREPO-UHFFFAOYSA-N 0 3 308.397 2.136 20 10 DECDHN CC[C@H](F)CNC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001322093363 1141392593 /nfs/dbraw/zinc/39/25/93/1141392593.db2.gz GJUCLMQRFUBARN-JQWIXIFHSA-N 0 3 323.372 2.305 20 10 DECDHN Cc1ccc(C)n1-c1ccc(-c2noc([C@H]3CNCCN3)n2)cc1 ZINC001247715984 1141456818 /nfs/dbraw/zinc/45/68/18/1141456818.db2.gz HRMYQFJOPQORCL-MRXNPFEDSA-N 0 3 323.400 2.378 20 10 DECDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CC[C@@H](F)[C@H](O)C3)ccc2O1 ZINC001249223269 1141862549 /nfs/dbraw/zinc/86/25/49/1141862549.db2.gz CZIVYINFBSSIJG-ZIAGYGMSSA-N 0 3 307.365 2.481 20 10 DECDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CC[C@@H](F)[C@H](O)C3)ccc2O1 ZINC001249223269 1141862550 /nfs/dbraw/zinc/86/25/50/1141862550.db2.gz CZIVYINFBSSIJG-ZIAGYGMSSA-N 0 3 307.365 2.481 20 10 DECDHN CC1(C)C=Cc2c(O)c(CN3CC[C@@H](F)[C@H](O)C3)ccc2O1 ZINC001249223269 1141862552 /nfs/dbraw/zinc/86/25/52/1141862552.db2.gz CZIVYINFBSSIJG-ZIAGYGMSSA-N 0 3 307.365 2.481 20 10 DECDHN CN(C)c1ccc(CNC(=O)c2cc3c(s2)CNCC3)cc1 ZINC001341535573 1143625032 /nfs/dbraw/zinc/62/50/32/1143625032.db2.gz VFBCCHVOLYHNMN-UHFFFAOYSA-N 0 3 315.442 2.390 20 10 DECDHN C[C@H](NC(=O)c1ccc2c(c1)OCCNC2)c1ccccc1O ZINC001341541489 1143625718 /nfs/dbraw/zinc/62/57/18/1143625718.db2.gz SZQODJNXUYLQAT-LBPRGKRZSA-N 0 3 312.369 2.365 20 10 DECDHN COc1ccc(CN[C@H]2CCO[C@H]2c2nc(C)no2)cc1C ZINC001307978742 1147440008 /nfs/dbraw/zinc/44/00/08/1147440008.db2.gz VKUZGRLIMCJKPT-DZGCQCFKSA-N 0 3 303.362 2.315 20 10 DECDHN CN(Cc1ccc(N2CCN(C)CC2)c(F)c1)C[C@H]1CCCO1 ZINC001325435779 1147909274 /nfs/dbraw/zinc/90/92/74/1147909274.db2.gz VPKNBWOUZJJJBE-MRXNPFEDSA-N 0 3 321.440 2.188 20 10 DECDHN COCCC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000530095595 284340013 /nfs/dbraw/zinc/34/00/13/284340013.db2.gz OURAPFUXADASHF-INIZCTEOSA-N 0 3 307.390 2.067 20 10 DECDHN [O-]c1cccc2c1[C@@H]([NH2+]C1CCN(C[C@H]3CCOC3)CC1)CC2 ZINC000297598593 285396957 /nfs/dbraw/zinc/39/69/57/285396957.db2.gz HXPPSEVVMJBXFQ-PBHICJAKSA-N 0 3 316.445 2.470 20 10 DECDHN C[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(F)cc1[O-] ZINC000368330409 533543398 /nfs/dbraw/zinc/54/33/98/533543398.db2.gz VWPOXEJDURMZJQ-HIFRSBDPSA-N 0 3 321.440 2.350 20 10 DECDHN Cc1ccc([C@@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)c([O-])c1C ZINC000273357009 130111578 /nfs/dbraw/zinc/11/15/78/130111578.db2.gz CXRCCIJQLLHGLA-CYBMUJFWSA-N 0 3 311.447 2.484 20 10 DECDHN O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000275131187 130294365 /nfs/dbraw/zinc/29/43/65/130294365.db2.gz KNUAUQDBTNUOTN-SECBINFHSA-N 0 3 320.286 2.032 20 10 DECDHN O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000275131187 130294370 /nfs/dbraw/zinc/29/43/70/130294370.db2.gz KNUAUQDBTNUOTN-SECBINFHSA-N 0 3 320.286 2.032 20 10 DECDHN CN(C)c1ccc(CN[C@@H]2COc3ccccc3[C@H]2O)cc1F ZINC000288471940 131326290 /nfs/dbraw/zinc/32/62/90/131326290.db2.gz FUVVCYLADFEAJI-CRAIPNDOSA-N 0 3 316.376 2.476 20 10 DECDHN CN(C)c1ccc(CNC(=O)N(C)C[C@H]2CCCN(C)C2)cc1 ZINC000115636418 401834127 /nfs/dbraw/zinc/83/41/27/401834127.db2.gz IDSVINURTHKXHJ-INIZCTEOSA-N 0 3 318.465 2.236 20 10 DECDHN CC(=O)NC[C@@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000155544029 402260142 /nfs/dbraw/zinc/26/01/42/402260142.db2.gz ZYYKVOUDGPVNHV-HNNXBMFYSA-N 0 3 307.413 2.240 20 10 DECDHN COCCC(=O)N1CCC([NH2+][C@H](C)c2cc(C)ccc2[O-])CC1 ZINC000186127972 402404082 /nfs/dbraw/zinc/40/40/82/402404082.db2.gz FNEUDZOTPXCKBA-CQSZACIVSA-N 0 3 320.433 2.379 20 10 DECDHN COc1ccc(N2CCCN(CC[C@@H]3CCOC3=O)CC2)cc1 ZINC000177657310 402423822 /nfs/dbraw/zinc/42/38/22/402423822.db2.gz SCJPSMBHZHQLNR-OAHLLOKOSA-N 0 3 318.417 2.161 20 10 DECDHN CCOC(=O)N[C@H]1CCCN(Cc2cc(OC)ccc2O)C1 ZINC000179692016 402598331 /nfs/dbraw/zinc/59/83/31/402598331.db2.gz BJEPEDMFHZSBSX-ZDUSSCGKSA-N 0 3 308.378 2.111 20 10 DECDHN Cc1cc(Br)cc(C[NH2+][C@@H](C)C(=O)N(C)C)c1[O-] ZINC000191805707 402693512 /nfs/dbraw/zinc/69/35/12/402693512.db2.gz STXFXWURHVUMKR-VIFPVBQESA-N 0 3 315.211 2.029 20 10 DECDHN Cc1cccc(C[N@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)c1[O-] ZINC000271878168 402884778 /nfs/dbraw/zinc/88/47/78/402884778.db2.gz UHVIRGBZMYAKHR-NVXWUHKLSA-N 0 3 315.417 2.380 20 10 DECDHN Cc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)c1[O-] ZINC000271878168 402884782 /nfs/dbraw/zinc/88/47/82/402884782.db2.gz UHVIRGBZMYAKHR-NVXWUHKLSA-N 0 3 315.417 2.380 20 10 DECDHN C[C@H](CCO)C1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CCC1 ZINC000271829582 402884954 /nfs/dbraw/zinc/88/49/54/402884954.db2.gz OPOIOEQFKBOXLH-GFCCVEGCSA-N 0 3 307.390 2.399 20 10 DECDHN O=C1[C@@H]([NH2+]Cc2cc(F)ccc2[O-])CCN1Cc1ccccc1 ZINC000272501731 402944967 /nfs/dbraw/zinc/94/49/67/402944967.db2.gz VSOCHKHUJJVBBY-INIZCTEOSA-N 0 3 314.360 2.422 20 10 DECDHN COc1cc(Cl)cc(C[N@H+](CCO)C2CCOCC2)c1[O-] ZINC000275969396 403136007 /nfs/dbraw/zinc/13/60/07/403136007.db2.gz LNTLBSGQWVEPIC-UHFFFAOYSA-N 0 3 315.797 2.028 20 10 DECDHN COc1cc(Cl)cc(C[N@@H+](CCO)C2CCOCC2)c1[O-] ZINC000275969396 403136010 /nfs/dbraw/zinc/13/60/10/403136010.db2.gz LNTLBSGQWVEPIC-UHFFFAOYSA-N 0 3 315.797 2.028 20 10 DECDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@](C)(O)C(=O)OCC ZINC000282412526 403151193 /nfs/dbraw/zinc/15/11/93/403151193.db2.gz IOULCIRAMNBGAZ-KRWDZBQOSA-N 0 3 309.406 2.308 20 10 DECDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@](C)(O)C(=O)OCC ZINC000282412526 403151195 /nfs/dbraw/zinc/15/11/95/403151195.db2.gz IOULCIRAMNBGAZ-KRWDZBQOSA-N 0 3 309.406 2.308 20 10 DECDHN C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc(F)ccc1[O-] ZINC000282464067 403154910 /nfs/dbraw/zinc/15/49/10/403154910.db2.gz VTRVPYVLWLQFMW-CYBMUJFWSA-N 0 3 309.429 2.208 20 10 DECDHN CCOC(=O)[C@@H]1CCCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000271108600 403265109 /nfs/dbraw/zinc/26/51/09/403265109.db2.gz SNRRRSDLCILPCU-GFCCVEGCSA-N 0 3 323.389 2.185 20 10 DECDHN [O-]c1cccc(Cl)c1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000271193936 403276785 /nfs/dbraw/zinc/27/67/85/403276785.db2.gz RTYZVDMXDWPLOC-ZDUSSCGKSA-N 0 3 310.825 2.200 20 10 DECDHN Cc1cc(C)c([C@H](C)[NH2+][C@H](C)CN2CCN(C)CC2)c([O-])c1 ZINC000293937791 403604354 /nfs/dbraw/zinc/60/43/54/403604354.db2.gz YJTBAOHKACNIFI-CVEARBPZSA-N 0 3 305.466 2.296 20 10 DECDHN COc1cccc(C[N@H+](C)C[C@@H](O)Cc2ccccc2)c1[O-] ZINC000293966620 403612171 /nfs/dbraw/zinc/61/21/71/403612171.db2.gz QGRIBRIGXOJJPQ-INIZCTEOSA-N 0 3 301.386 2.436 20 10 DECDHN COc1cccc(C[N@@H+](C)C[C@@H](O)Cc2ccccc2)c1[O-] ZINC000293966620 403612175 /nfs/dbraw/zinc/61/21/75/403612175.db2.gz QGRIBRIGXOJJPQ-INIZCTEOSA-N 0 3 301.386 2.436 20 10 DECDHN COc1cccc(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)c1[O-] ZINC000295127932 403767480 /nfs/dbraw/zinc/76/74/80/403767480.db2.gz OEBPIZXRSPBGFK-HNNXBMFYSA-N 0 3 305.349 2.233 20 10 DECDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c1 ZINC000363869457 404232312 /nfs/dbraw/zinc/23/23/12/404232312.db2.gz RBUKLGVQPOSYPQ-ZIAGYGMSSA-N 0 3 300.406 2.364 20 10 DECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000364445824 404398858 /nfs/dbraw/zinc/39/88/58/404398858.db2.gz CBIKLKBQWDYZKP-LJQANCHMSA-N 0 3 324.380 2.497 20 10 DECDHN COc1ccc([O-])c(C[N@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000364445824 404398860 /nfs/dbraw/zinc/39/88/60/404398860.db2.gz CBIKLKBQWDYZKP-LJQANCHMSA-N 0 3 324.380 2.497 20 10 DECDHN COCCCN1CCC([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000297668967 404585666 /nfs/dbraw/zinc/58/56/66/404585666.db2.gz KZGFCYSYXZNXDL-MRXNPFEDSA-N 0 3 304.434 2.470 20 10 DECDHN Cc1cc([O-])c(C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)cc1C ZINC000377831115 227202629 /nfs/dbraw/zinc/20/26/29/227202629.db2.gz JWSRCKMFWQDBGE-OAHLLOKOSA-N 0 3 300.406 2.111 20 10 DECDHN COc1cccc(CN2CCC[C@H](N3CCCCC3=O)C2)c1O ZINC000372413547 274145356 /nfs/dbraw/zinc/14/53/56/274145356.db2.gz NUBKYYXRNPAYDF-HNNXBMFYSA-N 0 3 318.417 2.378 20 10 DECDHN CNC(=O)C1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835026253 649868298 /nfs/dbraw/zinc/86/82/98/649868298.db2.gz SUYXWTSGZVZKRU-PLNGDYQASA-N 0 3 301.434 2.224 20 10 DECDHN COc1ccc(N2CCCN(Cc3c(C)cnn3C)CC2)cc1 ZINC000377615052 534003669 /nfs/dbraw/zinc/00/36/69/534003669.db2.gz KRDDDGLMEFUGOM-UHFFFAOYSA-N 0 3 314.433 2.449 20 10 DECDHN COc1ccc([O-])c(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c1 ZINC000363846100 524739771 /nfs/dbraw/zinc/73/97/71/524739771.db2.gz LFEJXILSVPLPLV-CQSZACIVSA-N 0 3 321.417 2.418 20 10 DECDHN CCOc1cccc(C[NH2+]CCNC(=O)OC(C)(C)C)c1[O-] ZINC000227600584 528653680 /nfs/dbraw/zinc/65/36/80/528653680.db2.gz QBPDZGFHXBATSA-UHFFFAOYSA-N 0 3 310.394 2.405 20 10 DECDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCO[C@@H]2c2nccn2C)c1 ZINC000275450165 535751955 /nfs/dbraw/zinc/75/19/55/535751955.db2.gz GKWZCCYMTHLSGE-HOCLYGCPSA-N 0 3 317.389 2.144 20 10 DECDHN CCOc1cccc(CN[C@@H]2C[C@H]3CCCCN3C2=O)c1O ZINC000835074538 649875911 /nfs/dbraw/zinc/87/59/11/649875911.db2.gz RPKSTVQYDRSXKY-ZIAGYGMSSA-N 0 3 304.390 2.034 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)NCCC2CC2)N(C)C)cc1 ZINC000893296718 625414907 /nfs/dbraw/zinc/41/49/07/625414907.db2.gz ZNWFWXMVPDSYJF-QGZVFWFLSA-N 0 3 318.465 2.455 20 10 DECDHN COc1cc(Br)cc([C@@H](C)[NH2+]CC2COC2)c1[O-] ZINC000858551833 622623988 /nfs/dbraw/zinc/62/39/88/622623988.db2.gz AMFUCDABUAZFMT-MRVPVSSYSA-N 0 3 316.195 2.460 20 10 DECDHN O=C(NC[C@H]1Cc2ccccc2CN1)N1Cc2cccc(O)c2C1 ZINC000892788303 625608607 /nfs/dbraw/zinc/60/86/07/625608607.db2.gz BQTZMAYTZURWMA-MRXNPFEDSA-N 0 3 323.396 2.132 20 10 DECDHN CC(C)[C@@H](F)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246781 623790586 /nfs/dbraw/zinc/79/05/86/623790586.db2.gz DJDKIKGQEXBPJC-JKSUJKDBSA-N 0 3 309.429 2.466 20 10 DECDHN COC[C@H](C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891253039 623798497 /nfs/dbraw/zinc/79/84/97/623798497.db2.gz PLNCQWUDGJJXNC-RHSMWYFYSA-N 0 3 321.465 2.144 20 10 DECDHN CC(=O)NCCN(C)Cc1cc(Br)cc(C)c1O ZINC000308290134 624173526 /nfs/dbraw/zinc/17/35/26/624173526.db2.gz GPVDPOCWRFSGHM-UHFFFAOYSA-N 0 3 315.211 2.031 20 10 DECDHN CC(=O)NCC[N@@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000308290134 624173528 /nfs/dbraw/zinc/17/35/28/624173528.db2.gz GPVDPOCWRFSGHM-UHFFFAOYSA-N 0 3 315.211 2.031 20 10 DECDHN CC(=O)NCC[N@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000308290134 624173529 /nfs/dbraw/zinc/17/35/29/624173529.db2.gz GPVDPOCWRFSGHM-UHFFFAOYSA-N 0 3 315.211 2.031 20 10 DECDHN COc1ccc(CN[C@H]2c3ccccc3C[C@H]2O)c(O)c1OC ZINC000893126760 625128670 /nfs/dbraw/zinc/12/86/70/625128670.db2.gz BNILEYVSTAYLAZ-ZBFHGGJFSA-N 0 3 315.369 2.157 20 10 DECDHN COc1ccc(C[NH2+]Cc2cnc3c(c2)c(C)nn3C)c([O-])c1 ZINC000725851655 625143516 /nfs/dbraw/zinc/14/35/16/625143516.db2.gz VHXQDXQVFLEUDG-UHFFFAOYSA-N 0 3 312.373 2.281 20 10 DECDHN C[NH+](C)CC1(CNC(=O)NCc2c([O-])cccc2F)CCCC1 ZINC000921965600 635768596 /nfs/dbraw/zinc/76/85/96/635768596.db2.gz OHVDRICVWRCRBE-UHFFFAOYSA-N 0 3 323.412 2.453 20 10 DECDHN CCCN1CCC[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000126141635 636132193 /nfs/dbraw/zinc/13/21/93/636132193.db2.gz QZRLODHZAHXRMF-MRXNPFEDSA-N 0 3 307.413 2.382 20 10 DECDHN COc1cc(C)cc(CN[C@@H]2CCN(C(C)(C)C)C2=O)c1O ZINC000895075003 637499134 /nfs/dbraw/zinc/49/91/34/637499134.db2.gz UEIJCSYHBVRFGO-CYBMUJFWSA-N 0 3 306.406 2.198 20 10 DECDHN CCO/C=C\[C@](O)(C[NH2+]Cc1cc(F)ccc1[O-])C(F)(F)F ZINC000895712224 638158039 /nfs/dbraw/zinc/15/80/39/638158039.db2.gz ZIHWBXSRITYDSZ-SZZPACECSA-N 0 3 323.286 2.465 20 10 DECDHN CCOc1ccc(C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)c([O-])c1 ZINC000895721896 638165680 /nfs/dbraw/zinc/16/56/80/638165680.db2.gz NUUCQDONNIQLHN-OAHLLOKOSA-N 0 3 321.417 2.154 20 10 DECDHN CCOc1ccc(C[N@H+]2C[C@H](O)CC3(CCOCC3)C2)c([O-])c1 ZINC000895721896 638165681 /nfs/dbraw/zinc/16/56/81/638165681.db2.gz NUUCQDONNIQLHN-OAHLLOKOSA-N 0 3 321.417 2.154 20 10 DECDHN COc1cccc([O-])c1C[NH+]1CCC([C@@]2(C)COC(=O)N2)CC1 ZINC000896459305 638534076 /nfs/dbraw/zinc/53/40/76/638534076.db2.gz LZBMBFMQCNINKX-QGZVFWFLSA-N 0 3 320.389 2.111 20 10 DECDHN CN1CCC[C@H](NCc2ccc(N3CCCCC3)cc2)C1=O ZINC000748243265 638534711 /nfs/dbraw/zinc/53/47/11/638534711.db2.gz WWFNGRMXEDETCT-KRWDZBQOSA-N 0 3 301.434 2.387 20 10 DECDHN CCOc1ccc(C[NH+]2CCC([C@H]3COC(=O)N3)CC2)c([O-])c1 ZINC000897027308 639131325 /nfs/dbraw/zinc/13/13/25/639131325.db2.gz RDJCSJJCRIXTNZ-OAHLLOKOSA-N 0 3 320.389 2.111 20 10 DECDHN CCC1(CC)CNC(=O)[C@@H]1NCc1ccc(N(C)C)cc1C ZINC000897343519 639518752 /nfs/dbraw/zinc/51/87/52/639518752.db2.gz UQVGVAPANZGXFW-INIZCTEOSA-N 0 3 303.450 2.455 20 10 DECDHN CCCNC(=O)CC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000228671782 639790758 /nfs/dbraw/zinc/79/07/58/639790758.db2.gz HISBVSMHILPFOZ-UHFFFAOYSA-N 0 3 300.786 2.060 20 10 DECDHN CN(C)c1ccc(CN(C)CC2CCS(=O)(=O)CC2)cc1 ZINC000767355812 640969663 /nfs/dbraw/zinc/96/96/63/640969663.db2.gz WROZRKBGJVPBPN-UHFFFAOYSA-N 0 3 310.463 2.009 20 10 DECDHN CN(C)c1ccc(/C=C\CNCc2cnc3n2CCOC3)cc1 ZINC000898267000 641076326 /nfs/dbraw/zinc/07/63/26/641076326.db2.gz YREOTKDQOJWVBC-ARJAWSKDSA-N 0 3 312.417 2.282 20 10 DECDHN COc1ccc(C[N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)cc1 ZINC000768437959 641081055 /nfs/dbraw/zinc/08/10/55/641081055.db2.gz LCVFOBHYOIYWBQ-QGZVFWFLSA-N 0 3 315.369 2.459 20 10 DECDHN COc1ccc(C[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)cc1 ZINC000768437959 641081058 /nfs/dbraw/zinc/08/10/58/641081058.db2.gz LCVFOBHYOIYWBQ-QGZVFWFLSA-N 0 3 315.369 2.459 20 10 DECDHN CC(C)[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCS1 ZINC000768465375 641085086 /nfs/dbraw/zinc/08/50/86/641085086.db2.gz HNYSIJXHIAZERU-HOCLYGCPSA-N 0 3 309.431 2.391 20 10 DECDHN CC(C)[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCS1 ZINC000768465375 641085090 /nfs/dbraw/zinc/08/50/90/641085090.db2.gz HNYSIJXHIAZERU-HOCLYGCPSA-N 0 3 309.431 2.391 20 10 DECDHN Cc1ccc(O)c(CN(CCO)CCNC(=O)OC(C)(C)C)c1 ZINC000768531611 641093820 /nfs/dbraw/zinc/09/38/20/641093820.db2.gz GQDVOIIDNIKYBZ-UHFFFAOYSA-N 0 3 324.421 2.020 20 10 DECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000768791244 641124762 /nfs/dbraw/zinc/12/47/62/641124762.db2.gz YJYMHSNUGGOUBV-LBPRGKRZSA-N 0 3 303.362 2.472 20 10 DECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000768791244 641124765 /nfs/dbraw/zinc/12/47/65/641124765.db2.gz YJYMHSNUGGOUBV-LBPRGKRZSA-N 0 3 303.362 2.472 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c([O-])c1 ZINC000768937436 641146056 /nfs/dbraw/zinc/14/60/56/641146056.db2.gz RGYNLQKVXNEHQK-MRXNPFEDSA-N 0 3 320.433 2.088 20 10 DECDHN CCOc1ccc(C[N@H+]2CCC[C@@H]2CN2CCOCC2)c([O-])c1 ZINC000768937436 641146060 /nfs/dbraw/zinc/14/60/60/641146060.db2.gz RGYNLQKVXNEHQK-MRXNPFEDSA-N 0 3 320.433 2.088 20 10 DECDHN COc1cccc([O-])c1C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000769554363 641259082 /nfs/dbraw/zinc/25/90/82/641259082.db2.gz CKTZSGAORVOYTI-UHFFFAOYSA-N 0 3 307.390 2.172 20 10 DECDHN COc1cccc([O-])c1C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000769554363 641259090 /nfs/dbraw/zinc/25/90/90/641259090.db2.gz CKTZSGAORVOYTI-UHFFFAOYSA-N 0 3 307.390 2.172 20 10 DECDHN Cc1nnsc1CNC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898449329 641660916 /nfs/dbraw/zinc/66/09/16/641660916.db2.gz BLWTURYAAGWPGK-HNNXBMFYSA-N 0 3 319.478 2.305 20 10 DECDHN CN1CCN(c2ccc(CN3CCOCC34CCC4)cc2)CC1 ZINC000775709668 642082211 /nfs/dbraw/zinc/08/22/11/642082211.db2.gz WPQZMUDGJZKRLJ-UHFFFAOYSA-N 0 3 315.461 2.193 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=S)NC2CCC2)N(C)C)cc1 ZINC000899724011 642149972 /nfs/dbraw/zinc/14/99/72/642149972.db2.gz ISJOEUDEMLRNMW-MRXNPFEDSA-N 0 3 320.506 2.372 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=S)NC2(C)CC2)N(C)C)cc1 ZINC000899725736 642150838 /nfs/dbraw/zinc/15/08/38/642150838.db2.gz ZPGLJPXBLXRNEF-HNNXBMFYSA-N 0 3 320.506 2.372 20 10 DECDHN [O-]c1cc2c(cc1C[NH+]1CCC([C@H]3CCCO3)CC1)[C@@H](O)CO2 ZINC000783969116 643073305 /nfs/dbraw/zinc/07/33/05/643073305.db2.gz SZOVDDWHMOBTKE-DLBZAZTESA-N 0 3 319.401 2.209 20 10 DECDHN Cn1cc([C@]2(C[NH2+][C@@H]3CCc4cccc([O-])c43)CCCO2)cn1 ZINC000903359036 643326590 /nfs/dbraw/zinc/32/65/90/643326590.db2.gz CGORPFRLKRCNAO-CRAIPNDOSA-N 0 3 313.401 2.409 20 10 DECDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3cc(=O)[n-]cn3)C2)c(O)c1 ZINC000903399438 643344249 /nfs/dbraw/zinc/34/42/49/643344249.db2.gz WJEQWIMVMTWJOB-OLZOCXBDSA-N 0 3 314.389 2.126 20 10 DECDHN COc1cc(CN2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c(O)cc1C ZINC000790385886 643846320 /nfs/dbraw/zinc/84/63/20/643846320.db2.gz FHAXYKHYOKQUGA-SUNYJGFJSA-N 0 3 321.417 2.478 20 10 DECDHN CCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C1CCNCC1 ZINC000843044128 650875539 /nfs/dbraw/zinc/87/55/39/650875539.db2.gz DUPIHSIJKHSQHR-UHFFFAOYSA-N 0 3 323.393 2.273 20 10 DECDHN CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C1CCNCC1 ZINC000843044128 650875541 /nfs/dbraw/zinc/87/55/41/650875541.db2.gz DUPIHSIJKHSQHR-UHFFFAOYSA-N 0 3 323.393 2.273 20 10 DECDHN Cc1cc([C@H](C)NCc2ccc(N3CCOCC3)cc2)n(C)n1 ZINC000793524173 644266655 /nfs/dbraw/zinc/26/66/55/644266655.db2.gz SLHBYDNTBGXULN-HNNXBMFYSA-N 0 3 314.433 2.416 20 10 DECDHN COc1cc(C)cc(CN2C[C@H](C)O[C@]3(CCCOC3)C2)c1O ZINC000794892475 644488756 /nfs/dbraw/zinc/48/87/56/644488756.db2.gz VHGSVGCYVFXDNN-KBXCAEBGSA-N 0 3 321.417 2.479 20 10 DECDHN CC(=O)c1cc(F)cc(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1[O-] ZINC000843363132 650957640 /nfs/dbraw/zinc/95/76/40/650957640.db2.gz NYJBVKQTYKDXNY-YIONKMFJSA-N 0 3 306.381 2.449 20 10 DECDHN Cc1cc(C)c(O)c(CN2CCN(c3nccnc3C)CC2)c1 ZINC000799572178 645190166 /nfs/dbraw/zinc/19/01/66/645190166.db2.gz RFJHGQGKUPKCHW-UHFFFAOYSA-N 0 3 312.417 2.430 20 10 DECDHN CCCN1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000171846327 646714642 /nfs/dbraw/zinc/71/46/42/646714642.db2.gz WLOOBHDABVPLQX-UHFFFAOYSA-N 0 3 303.450 2.051 20 10 DECDHN C[C@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000063308656 646763782 /nfs/dbraw/zinc/76/37/82/646763782.db2.gz WNSRQXADLFJRKB-HNNXBMFYSA-N 0 3 303.450 2.491 20 10 DECDHN COc1cc(Cl)cc(CN(C)CCN2CCCC2=O)c1O ZINC000761197452 647196894 /nfs/dbraw/zinc/19/68/94/647196894.db2.gz DNTQZEMYYSQXDR-UHFFFAOYSA-N 0 3 312.797 2.108 20 10 DECDHN CNC(=O)[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000817370019 647279325 /nfs/dbraw/zinc/27/93/25/647279325.db2.gz JMBXGGPUBFGDEA-CYBMUJFWSA-N 0 3 314.385 2.122 20 10 DECDHN CNC(=O)[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000817370019 647279329 /nfs/dbraw/zinc/27/93/29/647279329.db2.gz JMBXGGPUBFGDEA-CYBMUJFWSA-N 0 3 314.385 2.122 20 10 DECDHN [O-]c1ccc(Br)cc1CN1CCC2(CC[NH2+]2)CC1 ZINC000817865903 647369022 /nfs/dbraw/zinc/36/90/22/647369022.db2.gz OMLGFEFUVOOQSI-UHFFFAOYSA-N 0 3 311.223 2.483 20 10 DECDHN CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CCCN(C)C1 ZINC000820259135 647814092 /nfs/dbraw/zinc/81/40/92/647814092.db2.gz VHCHETVDXULFDC-CYBMUJFWSA-N 0 3 303.366 2.015 20 10 DECDHN O=[N+]([O-])c1cc(CN[C@H]2C[C@@H](O)C2)ccc1N1CCCCC1 ZINC000825257019 648731810 /nfs/dbraw/zinc/73/18/10/648731810.db2.gz RCYAJRMGHFGUPF-OKILXGFUSA-N 0 3 305.378 2.198 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)c([O-])c1 ZINC000826780657 648926634 /nfs/dbraw/zinc/92/66/34/648926634.db2.gz NVQMFYQTMBTAQG-UHFFFAOYSA-N 0 3 302.374 2.161 20 10 DECDHN CCOc1ccc(C[N@H+]2CCC3=C(CCC(=O)N3)C2)c([O-])c1 ZINC000826780657 648926636 /nfs/dbraw/zinc/92/66/36/648926636.db2.gz NVQMFYQTMBTAQG-UHFFFAOYSA-N 0 3 302.374 2.161 20 10 DECDHN COc1cc(O)c(CNCc2c(C3CC3)cnn2C)cc1OC ZINC000827251666 649000898 /nfs/dbraw/zinc/00/08/98/649000898.db2.gz KNFGHEVBTSBTSW-UHFFFAOYSA-N 0 3 317.389 2.310 20 10 DECDHN CCN(CC)c1ccc(CNC(=O)[C@H](N)C2CCC2)cc1F ZINC000829038128 649263867 /nfs/dbraw/zinc/26/38/67/649263867.db2.gz ABJHKCPBNPZGMX-MRXNPFEDSA-N 0 3 307.413 2.416 20 10 DECDHN Cc1cc(CN2CC(C)(C(N)=O)C2)ccc1N1CCCCC1 ZINC000829074685 649268514 /nfs/dbraw/zinc/26/85/14/649268514.db2.gz BTLKMEJTPBVCJZ-UHFFFAOYSA-N 0 3 301.434 2.293 20 10 DECDHN COc1ccc(C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)c([O-])c1 ZINC000733329013 649544058 /nfs/dbraw/zinc/54/40/58/649544058.db2.gz KAXKEHRNNMJVJH-QGZVFWFLSA-N 0 3 320.433 2.134 20 10 DECDHN CC[C@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1ccc(C)cc1[O-] ZINC000848562527 651471288 /nfs/dbraw/zinc/47/12/88/651471288.db2.gz FAZSVEGFQLWEQS-OCCSQVGLSA-N 0 3 300.406 2.427 20 10 DECDHN CCc1cccc(CN2CCCN(C(=O)C3CC3)CC2)c1O ZINC000848906358 651555431 /nfs/dbraw/zinc/55/54/31/651555431.db2.gz VBJLIBQDUWXODK-UHFFFAOYSA-N 0 3 302.418 2.399 20 10 DECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000848930252 651565045 /nfs/dbraw/zinc/56/50/45/651565045.db2.gz PIBLTGWOTAZTCC-MRXNPFEDSA-N 0 3 308.397 2.218 20 10 DECDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000848930252 651565049 /nfs/dbraw/zinc/56/50/49/651565049.db2.gz PIBLTGWOTAZTCC-MRXNPFEDSA-N 0 3 308.397 2.218 20 10 DECDHN COc1cc(CN[C@H](C)C(=O)N(C)C)c(O)c(C(C)(C)C)c1 ZINC000850177932 651853529 /nfs/dbraw/zinc/85/35/29/651853529.db2.gz ORHLOJLKMFOMFD-LLVKDONJSA-N 0 3 308.422 2.265 20 10 DECDHN COc1cccc(CNCc2cnc(C(F)(F)F)nc2)c1O ZINC000850345128 651905094 /nfs/dbraw/zinc/90/50/94/651905094.db2.gz KYJSMQUCEURUDO-UHFFFAOYSA-N 0 3 313.279 2.499 20 10 DECDHN C[C@H]([NH2+]CCN1C[C@@H]2CCCCN2C1=O)c1cc(F)ccc1[O-] ZINC000850560105 651952574 /nfs/dbraw/zinc/95/25/74/651952574.db2.gz BRZGBOPYKREXLG-JSGCOSHPSA-N 0 3 321.396 2.472 20 10 DECDHN CS[C@H](CO)[C@@H](C)NCc1cc(F)c(N(C)C)cc1F ZINC000858143695 652265222 /nfs/dbraw/zinc/26/52/22/652265222.db2.gz RTTMPWBCXUYWNF-YMTOWFKASA-N 0 3 304.406 2.233 20 10 DECDHN [O-]c1ccc2ccccc2c1C[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000853550608 652567254 /nfs/dbraw/zinc/56/72/54/652567254.db2.gz KQYSWGQUHDRAJO-MRXNPFEDSA-N 0 3 312.413 2.452 20 10 DECDHN CCN(C(=O)NCc1ccc(N(C)C)cc1C)[C@@H]1CCN(C)C1 ZINC000853748246 652598186 /nfs/dbraw/zinc/59/81/86/652598186.db2.gz BWDSBXGCTRGNML-QGZVFWFLSA-N 0 3 318.465 2.297 20 10 DECDHN Cc1ccc(O)c(CNC(=O)NC[C@H]2CCN2C(C)(C)C)c1 ZINC000858596609 685565641 /nfs/dbraw/zinc/56/56/41/685565641.db2.gz GXZQDDDLGVGENY-CQSZACIVSA-N 0 3 305.422 2.373 20 10 DECDHN COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000120856700 684102291 /nfs/dbraw/zinc/10/22/91/684102291.db2.gz ADIUKTRAYPYSPH-ZDUSSCGKSA-N 0 3 314.385 2.368 20 10 DECDHN COc1cc(Br)cc(C[N@H+](C)[C@@H]2CCOC2)c1[O-] ZINC000132039990 684205189 /nfs/dbraw/zinc/20/51/89/684205189.db2.gz NORBAMARSLGUNJ-LLVKDONJSA-N 0 3 316.195 2.384 20 10 DECDHN COc1cc(Br)cc(C[N@@H+](C)[C@@H]2CCOC2)c1[O-] ZINC000132039990 684205191 /nfs/dbraw/zinc/20/51/91/684205191.db2.gz NORBAMARSLGUNJ-LLVKDONJSA-N 0 3 316.195 2.384 20 10 DECDHN [O-]c1ccc(Br)cc1CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000300438749 685226799 /nfs/dbraw/zinc/22/67/99/685226799.db2.gz YWOXQQRAPYOTHW-GXFFZTMASA-N 0 3 311.223 2.339 20 10 DECDHN [NH3+]C[C@H]1CN(Cc2cccc(F)c2[O-])CC[C@H]1C(F)(F)F ZINC000863645472 686538883 /nfs/dbraw/zinc/53/88/83/686538883.db2.gz IBWCUICTILEQQO-WDEREUQCSA-N 0 3 306.303 2.490 20 10 DECDHN CN(Cc1cccs1)c1ccc(CN[C@@H]2COC[C@@H]2O)cc1 ZINC000865666497 687295402 /nfs/dbraw/zinc/29/54/02/687295402.db2.gz PUZBAXOWRIHCSG-SJORKVTESA-N 0 3 318.442 2.234 20 10 DECDHN CCOC(=O)/C=C\CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000930210605 694113484 /nfs/dbraw/zinc/11/34/84/694113484.db2.gz PDQDQMCHMRMWEI-XVWMLYKFSA-N 0 3 318.417 2.293 20 10 DECDHN CC(=O)c1cc(F)cc(CN2CCC[C@H]3C[NH2+]CC[C@H]32)c1[O-] ZINC000866716493 687663742 /nfs/dbraw/zinc/66/37/42/687663742.db2.gz PFXJPXDJCRWBND-BLLLJJGKSA-N 0 3 306.381 2.308 20 10 DECDHN CC1([NH+]2CCCC2)CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000870257042 688524122 /nfs/dbraw/zinc/52/41/22/688524122.db2.gz PDSIDJCGOBIVQG-UHFFFAOYSA-N 0 3 304.390 2.188 20 10 DECDHN C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccccc1[O-] ZINC000872120245 688932224 /nfs/dbraw/zinc/93/22/24/688932224.db2.gz PMULOYOWPXMVSV-FUDCBSFHSA-N 0 3 309.431 2.399 20 10 DECDHN COc1cc(Br)cc(C[NH2+]C[C@H]2C[C@H](O)C2)c1[O-] ZINC000873177281 689177080 /nfs/dbraw/zinc/17/70/80/689177080.db2.gz CPBWZNHDUVBHJF-JLIMDTESSA-N 0 3 316.195 2.024 20 10 DECDHN Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c([O-])c1 ZINC000876583165 689865567 /nfs/dbraw/zinc/86/55/67/689865567.db2.gz GGVFNCDEXQTSPO-MRXNPFEDSA-N 0 3 302.418 2.439 20 10 DECDHN Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c([O-])c1 ZINC000876583165 689865569 /nfs/dbraw/zinc/86/55/69/689865569.db2.gz GGVFNCDEXQTSPO-MRXNPFEDSA-N 0 3 302.418 2.439 20 10 DECDHN CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(C)cc1[O-] ZINC000877423672 690108269 /nfs/dbraw/zinc/10/82/69/690108269.db2.gz IZGZPBMSUSBYII-HUUCEWRRSA-N 0 3 307.390 2.243 20 10 DECDHN CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(C)cc1[O-] ZINC000877423672 690108271 /nfs/dbraw/zinc/10/82/71/690108271.db2.gz IZGZPBMSUSBYII-HUUCEWRRSA-N 0 3 307.390 2.243 20 10 DECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000877435400 690112559 /nfs/dbraw/zinc/11/25/59/690112559.db2.gz DYUWQCMZWYCHDZ-LLVKDONJSA-N 0 3 316.323 2.201 20 10 DECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000877435400 690112560 /nfs/dbraw/zinc/11/25/60/690112560.db2.gz DYUWQCMZWYCHDZ-LLVKDONJSA-N 0 3 316.323 2.201 20 10 DECDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2[O-])[C@@H]1n1cccn1 ZINC000877555394 690150557 /nfs/dbraw/zinc/15/05/57/690150557.db2.gz WUQMAUCCLAADLJ-OIISXLGYSA-N 0 3 301.390 2.405 20 10 DECDHN CCn1ncnc1CN[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000877592713 690161402 /nfs/dbraw/zinc/16/14/02/690161402.db2.gz SDWFCCDTRHBTFA-AWEZNQCLSA-N 0 3 301.438 2.393 20 10 DECDHN COc1ccc(N2CC[C@@H](NCc3snnc3C)C2)cc1 ZINC000877620735 690170161 /nfs/dbraw/zinc/17/01/61/690170161.db2.gz MTAYFKSAXDBQJK-GFCCVEGCSA-N 0 3 304.419 2.224 20 10 DECDHN CN(C)c1ccc(CN2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1 ZINC000877666122 690183627 /nfs/dbraw/zinc/18/36/27/690183627.db2.gz XAAMTWJTMGWPRJ-RTBURBONSA-N 0 3 312.413 2.377 20 10 DECDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCC[C@@H]2O)c1[O-] ZINC000877700922 690196265 /nfs/dbraw/zinc/19/62/65/690196265.db2.gz HYEJIYRHRKKHMP-RYUDHWBXSA-N 0 3 300.196 2.466 20 10 DECDHN COC(=O)CCCN1CCC([NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000877755570 690217532 /nfs/dbraw/zinc/21/75/32/690217532.db2.gz FSZLUHZTUKKPOK-CQSZACIVSA-N 0 3 320.433 2.460 20 10 DECDHN Cc1cc(CN2CCC(c3nnc(N)o3)CC2)ccc1N(C)C ZINC000878814734 690506228 /nfs/dbraw/zinc/50/62/28/690506228.db2.gz SPXGDFXXEASBGZ-UHFFFAOYSA-N 0 3 315.421 2.406 20 10 DECDHN Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648977 690699071 /nfs/dbraw/zinc/69/90/71/690699071.db2.gz IHZKJQIPRALQHU-SNVBAGLBSA-N 0 3 302.378 2.032 20 10 DECDHN C[C@@H]([NH2+]CC(=O)N1C[C@H](C)OC(C)(C)C1)c1ccccc1[O-] ZINC000931553872 694427767 /nfs/dbraw/zinc/42/77/67/694427767.db2.gz IGVRYGFRCWYHDT-QWHCGFSZSA-N 0 3 306.406 2.069 20 10 DECDHN CCc1nsc(N2CCCN(Cc3ccc(N)cc3)CC2)n1 ZINC001120371285 795448839 /nfs/dbraw/zinc/44/88/39/795448839.db2.gz UMXPCYOCNKZJRM-UHFFFAOYSA-N 0 3 317.462 2.395 20 10 DECDHN CCN(CC)c1ccc(CN(C)CCC(=O)NC)c(OC)c1 ZINC001138389117 796210597 /nfs/dbraw/zinc/21/05/97/796210597.db2.gz KHRNHMMGKPRWJM-UHFFFAOYSA-N 0 3 307.438 2.109 20 10 DECDHN Cc1cncnc1O[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140056072 796471576 /nfs/dbraw/zinc/47/15/76/796471576.db2.gz GUFOZKDJNSTMSN-CQSZACIVSA-N 0 3 303.337 2.283 20 10 DECDHN Cc1cncnc1O[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140056072 796471577 /nfs/dbraw/zinc/47/15/77/796471577.db2.gz GUFOZKDJNSTMSN-CQSZACIVSA-N 0 3 303.337 2.283 20 10 DECDHN OC1CCN(c2ccc(CN3CC[C@@]34CCOC4)cc2)CC1 ZINC001140287359 796502419 /nfs/dbraw/zinc/50/24/19/796502419.db2.gz QPFVAVGGJCOHEH-SFHVURJKSA-N 0 3 302.418 2.013 20 10 DECDHN CCN1CCN(c2ccc(CN3CCO[C@@H](C)C3)cc2)CC1 ZINC001140301948 796504029 /nfs/dbraw/zinc/50/40/29/796504029.db2.gz FFVTYPCWFSVXPZ-INIZCTEOSA-N 0 3 303.450 2.049 20 10 DECDHN Cc1c(O)ccc(CN2CCC[C@@H](NC(=O)C3CCC3)C2)c1O ZINC001140750034 796567764 /nfs/dbraw/zinc/56/77/64/796567764.db2.gz TZOUQVXQXTZNFJ-OAHLLOKOSA-N 0 3 318.417 2.287 20 10 DECDHN COc1cc(N2CCN(Cc3ccc(C)cc3O)CC2)ccn1 ZINC001140954119 796606514 /nfs/dbraw/zinc/60/65/14/796606514.db2.gz MHRIHTFUHLYBDL-UHFFFAOYSA-N 0 3 313.401 2.426 20 10 DECDHN Cc1ccc(C[N@@H+]2C[C@H]3CN(CC4CC4)C(=O)[C@H]3C2)c([O-])c1 ZINC001140952349 796606672 /nfs/dbraw/zinc/60/66/72/796606672.db2.gz OLCINEOSIKYGEH-HOTGVXAUSA-N 0 3 300.402 2.001 20 10 DECDHN Cc1ccc(C[N@H+]2C[C@H]3CN(CC4CC4)C(=O)[C@H]3C2)c([O-])c1 ZINC001140952349 796606676 /nfs/dbraw/zinc/60/66/76/796606676.db2.gz OLCINEOSIKYGEH-HOTGVXAUSA-N 0 3 300.402 2.001 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CCCC[C@](O)(CF)C2)c(OC)c1 ZINC001141031333 796621479 /nfs/dbraw/zinc/62/14/79/796621479.db2.gz DFIIYKSAMLPMFM-INIZCTEOSA-N 0 3 313.369 2.096 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CCCC[C@](O)(CF)C2)c(OC)c1 ZINC001141031333 796621481 /nfs/dbraw/zinc/62/14/81/796621481.db2.gz DFIIYKSAMLPMFM-INIZCTEOSA-N 0 3 313.369 2.096 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)c(OC)c1 ZINC001141032553 796621952 /nfs/dbraw/zinc/62/19/52/796621952.db2.gz GKKCNGNCDWSHRH-DGCLKSJQSA-N 0 3 305.374 2.210 20 10 DECDHN COc1cc([O-])c(C[N@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)c(OC)c1 ZINC001141032553 796621954 /nfs/dbraw/zinc/62/19/54/796621954.db2.gz GKKCNGNCDWSHRH-DGCLKSJQSA-N 0 3 305.374 2.210 20 10 DECDHN Oc1ccc(O)c(CN2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC001141156341 796641131 /nfs/dbraw/zinc/64/11/31/796641131.db2.gz JYNQOZOOZCPXEE-CYBMUJFWSA-N 0 3 305.296 2.377 20 10 DECDHN CCC(=O)N(CC)C1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141162618 796643161 /nfs/dbraw/zinc/64/31/61/796643161.db2.gz XNLJSDQVPGGHAV-UHFFFAOYSA-N 0 3 306.406 2.321 20 10 DECDHN COc1ccnc(OC2CC[NH+](Cc3ccccc3[O-])CC2)n1 ZINC001203561725 800081032 /nfs/dbraw/zinc/08/10/32/800081032.db2.gz YJYLAAZMQPUKEU-UHFFFAOYSA-N 0 3 315.373 2.234 20 10 DECDHN COc1ccc(C[N@@H+]2CC[C@H](Oc3nccnc3C)C2)c([O-])c1 ZINC001203635049 800097048 /nfs/dbraw/zinc/09/70/48/800097048.db2.gz HPZAVUIVXQYJOE-HNNXBMFYSA-N 0 3 315.373 2.153 20 10 DECDHN COc1ccc(C[N@H+]2CC[C@H](Oc3nccnc3C)C2)c([O-])c1 ZINC001203635049 800097057 /nfs/dbraw/zinc/09/70/57/800097057.db2.gz HPZAVUIVXQYJOE-HNNXBMFYSA-N 0 3 315.373 2.153 20 10 DECDHN COc1ccc(C[N@@H+]2CC[C@@H](Oc3nccc(C)n3)C2)c([O-])c1 ZINC001203635190 800097436 /nfs/dbraw/zinc/09/74/36/800097436.db2.gz OAQAIQXHNPJGIW-OAHLLOKOSA-N 0 3 315.373 2.153 20 10 DECDHN COc1ccc(C[N@H+]2CC[C@@H](Oc3nccc(C)n3)C2)c([O-])c1 ZINC001203635190 800097441 /nfs/dbraw/zinc/09/74/41/800097441.db2.gz OAQAIQXHNPJGIW-OAHLLOKOSA-N 0 3 315.373 2.153 20 10 DECDHN COc1ccc(O)c(CN2CC[C@H](Oc3nccnc3C)C2)c1 ZINC001203680915 800105363 /nfs/dbraw/zinc/10/53/63/800105363.db2.gz JNIXPYXTRPUCSD-HNNXBMFYSA-N 0 3 315.373 2.153 20 10 DECDHN CCNC(=O)OC1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC001203935631 800149062 /nfs/dbraw/zinc/14/90/62/800149062.db2.gz AGUOKIWUVIUWTK-UHFFFAOYSA-N 0 3 305.422 2.463 20 10 DECDHN COC[C@@H]1COCCC12CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001204274847 800198021 /nfs/dbraw/zinc/19/80/21/800198021.db2.gz UQHAFMZVFUZQLC-OAHLLOKOSA-N 0 3 321.417 2.363 20 10 DECDHN Oc1ccc(N2CCN(Cc3ccc(O)cc3O)CC2)cc1 ZINC001204272776 800198165 /nfs/dbraw/zinc/19/81/65/800198165.db2.gz RTUNGIZGEOMVAP-UHFFFAOYSA-N 0 3 300.358 2.126 20 10 DECDHN COc1ccc(N2CCN(Cc3ccc(O)cc3O)CC2)cc1 ZINC001204271728 800198284 /nfs/dbraw/zinc/19/82/84/800198284.db2.gz DBDOGDUUJYPSAH-UHFFFAOYSA-N 0 3 314.385 2.429 20 10 DECDHN COC(=O)c1c(CN2C[C@@H](C)C[C@H]2CO)c2ccccc2n1C ZINC001232403404 801872484 /nfs/dbraw/zinc/87/24/84/801872484.db2.gz XSRVSJUYDNBLEZ-STQMWFEESA-N 0 3 316.401 2.168 20 10 DECDHN CC(C)(C)c1ccc(O)c(CN2CCN(CCCO)CC2)c1 ZINC001233284059 802064592 /nfs/dbraw/zinc/06/45/92/802064592.db2.gz GPJBYHRYEMTIQY-UHFFFAOYSA-N 0 3 306.450 2.190 20 10 DECDHN C[NH2+][C@H]1C[C@@H](Oc2cccc3c2C(=O)c2c([O-])cccc2C3=O)C1 ZINC001217956677 802123306 /nfs/dbraw/zinc/12/33/06/802123306.db2.gz XSZQFPGWKNURIF-PHIMTYICSA-N 0 3 323.348 2.297 20 10 DECDHN [O-]c1c(C[N@H+]2CCC[C@H](CO)C2)cccc1OC(F)(F)F ZINC001233727251 802191161 /nfs/dbraw/zinc/19/11/61/802191161.db2.gz KXKVFHDRRNPMNF-JTQLQIEISA-N 0 3 305.296 2.495 20 10 DECDHN [O-]c1c(C[N@@H+]2CCC[C@H](CO)C2)cccc1OC(F)(F)F ZINC001233727251 802191164 /nfs/dbraw/zinc/19/11/64/802191164.db2.gz KXKVFHDRRNPMNF-JTQLQIEISA-N 0 3 305.296 2.495 20 10 DECDHN CN(C)c1ccc(CN2C[C@@H](O)CC3(CCOCC3)C2)cc1F ZINC001331565870 1149535233 /nfs/dbraw/zinc/53/52/33/1149535233.db2.gz PVYRWCKOHFESDM-HNNXBMFYSA-N 0 3 322.424 2.255 20 10 DECDHN COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CCCCN2C)c1 ZINC001345393156 1150886678 /nfs/dbraw/zinc/88/66/78/1150886678.db2.gz RXSZRXQCWWNCBU-QWHCGFSZSA-N 0 3 321.421 2.245 20 10 DECDHN C[NH+](C)CCOc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC001598065871 1077106472 /nfs/dbraw/zinc/10/64/72/1077106472.db2.gz QXPOOBCSVUDTAE-UHFFFAOYSA-N 0 3 316.357 2.291 20 10 DECDHN C[C@@H]([NH2+]CCN1C(=O)c2ccccc2C1=O)c1ccccc1[O-] ZINC001654532268 1079970351 /nfs/dbraw/zinc/97/03/51/1079970351.db2.gz MFZAIRNRRYGKHF-GFCCVEGCSA-N 0 3 310.353 2.339 20 10 DECDHN CN1c2ccccc2C[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1=O ZINC001658546791 1080211171 /nfs/dbraw/zinc/21/11/71/1080211171.db2.gz XNRMMNFOUVHWIF-AWEZNQCLSA-N 0 3 300.333 2.209 20 10 DECDHN [O-]c1cc(Cl)ccc1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001658591866 1080211714 /nfs/dbraw/zinc/21/17/14/1080211714.db2.gz MPVFSBPIPNKWCP-OAHLLOKOSA-N 0 3 310.825 2.077 20 10 DECDHN [O-]c1cc(Cl)ccc1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001658591866 1080211721 /nfs/dbraw/zinc/21/17/21/1080211721.db2.gz MPVFSBPIPNKWCP-OAHLLOKOSA-N 0 3 310.825 2.077 20 10 DECDHN COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1c(C)cc(OC)cc1[O-])C2 ZINC001658815143 1080218557 /nfs/dbraw/zinc/21/85/57/1080218557.db2.gz BRQIBBPJDOEYNZ-UGSOOPFHSA-N 0 3 319.401 2.484 20 10 DECDHN COC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1c(C)cc(OC)cc1[O-])C2 ZINC001658815143 1080218566 /nfs/dbraw/zinc/21/85/66/1080218566.db2.gz BRQIBBPJDOEYNZ-UGSOOPFHSA-N 0 3 319.401 2.484 20 10 DECDHN COc1cc(C)c(C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)c([O-])c1 ZINC001660059164 1080260036 /nfs/dbraw/zinc/26/00/36/1080260036.db2.gz TZKJSPQOJSJWBS-AWEZNQCLSA-N 0 3 321.417 2.215 20 10 DECDHN CN(C)C(=O)[C@@H]1CCC[C@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001277441939 1083971536 /nfs/dbraw/zinc/97/15/36/1083971536.db2.gz RUCNPENRVJFWGU-MAUKXSAKSA-N 0 3 302.418 2.473 20 10 DECDHN CN(C)C(=O)[C@@H]1CCC[C@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001277441939 1083971542 /nfs/dbraw/zinc/97/15/42/1083971542.db2.gz RUCNPENRVJFWGU-MAUKXSAKSA-N 0 3 302.418 2.473 20 10 DECDHN Cc1ccc(C[NH2+]C23CC(C(=O)Nc4cn[nH]c4)(C2)C3)c([O-])c1 ZINC001277560171 1084035412 /nfs/dbraw/zinc/03/54/12/1084035412.db2.gz RWDZDUWTDGVXNC-UHFFFAOYSA-N 0 3 312.373 2.075 20 10 DECDHN Cc1ccc(CN2CC3(C2)SCC[C@H]3C(=O)N(C)C)c(O)c1 ZINC001277568241 1084039234 /nfs/dbraw/zinc/03/92/34/1084039234.db2.gz LZQBBKKCQVRNCC-AWEZNQCLSA-N 0 3 320.458 2.096 20 10 DECDHN [O-]c1ccc(Br)cc1CN1CCCCC12C[NH2+]C2 ZINC001235101965 1084310399 /nfs/dbraw/zinc/31/03/99/1084310399.db2.gz FZDXYSPRURPMFN-UHFFFAOYSA-N 0 3 311.223 2.483 20 10 DECDHN Cc1cc(CN2CCC[C@H]3[NH2+]C[C@H]32)c([O-])cc1Br ZINC001235307226 1084382423 /nfs/dbraw/zinc/38/24/23/1084382423.db2.gz UVBMBQCLQOAWNK-CHWSQXEVSA-N 0 3 311.223 2.399 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CC[C@H]3[C@@H](CCC(=O)N3C)C2)c([O-])c1 ZINC001236812537 1138437596 /nfs/dbraw/zinc/43/75/96/1138437596.db2.gz BDMRQULHHVEIIZ-BBRMVZONSA-N 0 3 318.417 2.152 20 10 DECDHN COc1cc(C)c(C[N@H+]2CC[C@H]3[C@@H](CCC(=O)N3C)C2)c([O-])c1 ZINC001236812537 1138437605 /nfs/dbraw/zinc/43/76/05/1138437605.db2.gz BDMRQULHHVEIIZ-BBRMVZONSA-N 0 3 318.417 2.152 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CC[C@H](c3nc(C)no3)C2)c([O-])c1 ZINC001236817009 1138438767 /nfs/dbraw/zinc/43/87/67/1138438767.db2.gz AGRGHLRVELHMRV-LBPRGKRZSA-N 0 3 303.362 2.390 20 10 DECDHN COc1cc(C)c(C[N@H+]2CC[C@H](c3nc(C)no3)C2)c([O-])c1 ZINC001236817009 1138438772 /nfs/dbraw/zinc/43/87/72/1138438772.db2.gz AGRGHLRVELHMRV-LBPRGKRZSA-N 0 3 303.362 2.390 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCC[C@]3(CCCC(=O)N3)C2)c([O-])c1 ZINC001237040107 1138486275 /nfs/dbraw/zinc/48/62/75/1138486275.db2.gz DSVVOPCSHSPFKF-GOSISDBHSA-N 0 3 318.417 2.426 20 10 DECDHN CCOc1ccc(C[N@H+]2CCC[C@]3(CCCC(=O)N3)C2)c([O-])c1 ZINC001237040107 1138486279 /nfs/dbraw/zinc/48/62/79/1138486279.db2.gz DSVVOPCSHSPFKF-GOSISDBHSA-N 0 3 318.417 2.426 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(C)C3)c([O-])c1 ZINC001237043124 1138488210 /nfs/dbraw/zinc/48/82/10/1138488210.db2.gz NYXZNYSLZRNPJZ-SFHVURJKSA-N 0 3 318.417 2.378 20 10 DECDHN CCOc1ccc(C[N@H+]2CCCC[C@@]23CC(=O)N(C)C3)c([O-])c1 ZINC001237043124 1138488212 /nfs/dbraw/zinc/48/82/12/1138488212.db2.gz NYXZNYSLZRNPJZ-SFHVURJKSA-N 0 3 318.417 2.378 20 10 DECDHN CC(C)c1ccc(CN2CC(N(C)[C@H]3CCOC3)C2)c(O)c1 ZINC001237048443 1138488864 /nfs/dbraw/zinc/48/88/64/1138488864.db2.gz GGPBCDMSGLSICX-INIZCTEOSA-N 0 3 304.434 2.421 20 10 DECDHN CC(C)c1ccc(CN2CC(N(C)[C@@H]3CCOC3)C2)c(O)c1 ZINC001237048445 1138489734 /nfs/dbraw/zinc/48/97/34/1138489734.db2.gz GGPBCDMSGLSICX-MRXNPFEDSA-N 0 3 304.434 2.421 20 10 DECDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CCC[C@@H]1CO ZINC001237053301 1138490784 /nfs/dbraw/zinc/49/07/84/1138490784.db2.gz JJIUNRWLYNANCV-LLVKDONJSA-N 0 3 305.296 2.290 20 10 DECDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCC[C@@H]1CO ZINC001237053301 1138490786 /nfs/dbraw/zinc/49/07/86/1138490786.db2.gz JJIUNRWLYNANCV-LLVKDONJSA-N 0 3 305.296 2.290 20 10 DECDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001237054341 1138491603 /nfs/dbraw/zinc/49/16/03/1138491603.db2.gz ZYAQZRLCNMRVFT-TXEJJXNPSA-N 0 3 317.307 2.412 20 10 DECDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001237054341 1138491604 /nfs/dbraw/zinc/49/16/04/1138491604.db2.gz ZYAQZRLCNMRVFT-TXEJJXNPSA-N 0 3 317.307 2.412 20 10 DECDHN COC[C@@H](C)C(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 ZINC001323407796 1141851182 /nfs/dbraw/zinc/85/11/82/1141851182.db2.gz YBBVYVTZOBIOPB-CQSZACIVSA-N 0 3 320.433 2.025 20 10 DECDHN Cc1cc(CN2CCN3CC[C@H]3C2)c(O)cc1Br ZINC001250135624 1142086980 /nfs/dbraw/zinc/08/69/80/1142086980.db2.gz GQYFOLPVXWTVOQ-LBPRGKRZSA-N 0 3 311.223 2.353 20 10 DECDHN CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccccc2[O-])CC1=O ZINC001254227249 1143062117 /nfs/dbraw/zinc/06/21/17/1143062117.db2.gz CMXSUSZGHAUZHA-ZDUSSCGKSA-N 0 3 320.389 2.408 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)NCC2(C)CC2)N(C)C)cc1 ZINC001340490407 1143357448 /nfs/dbraw/zinc/35/74/48/1143357448.db2.gz GBDRULNZPHGUAI-INIZCTEOSA-N 0 3 318.465 2.455 20 10 DECDHN C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccccc1[O-] ZINC001255800360 1143806944 /nfs/dbraw/zinc/80/69/44/1143806944.db2.gz SEZGELKOGLIQPK-CYBMUJFWSA-N 0 3 305.399 2.344 20 10 DECDHN C[C@H](CS(=O)(=O)c1ccccc1)NCc1ccccc1O ZINC001255800360 1143806945 /nfs/dbraw/zinc/80/69/45/1143806945.db2.gz SEZGELKOGLIQPK-CYBMUJFWSA-N 0 3 305.399 2.344 20 10 DECDHN C[C@H](CCN1CCN(C)CC1)[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001308708343 1147483406 /nfs/dbraw/zinc/48/34/06/1147483406.db2.gz BTTDNPVBGRARGX-CYBMUJFWSA-N 0 3 311.857 2.161 20 10 DECDHN C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C(=O)NCC(F)(F)F ZINC001325356677 1147895508 /nfs/dbraw/zinc/89/55/08/1147895508.db2.gz KZQXTBMLGCUPLU-YUMQZZPRSA-N 0 3 308.275 2.249 20 10 DECDHN CN1CCCc2cc(CNC(=O)C34CCCN3CCC4)ccc21 ZINC000373919000 530065658 /nfs/dbraw/zinc/06/56/58/530065658.db2.gz UCPTYWSPOZEUJQ-UHFFFAOYSA-N 0 3 313.445 2.314 20 10 DECDHN CN(C)c1ccc(CN2CCC(N3CCCC3=O)CC2)cc1 ZINC000093087536 193201679 /nfs/dbraw/zinc/20/16/79/193201679.db2.gz MWELDOGXMICQLF-UHFFFAOYSA-N 0 3 301.434 2.339 20 10 DECDHN COc1cccc(CN2CCC(NC(=O)C3CCC3)CC2)c1O ZINC000371418530 533474745 /nfs/dbraw/zinc/47/47/45/533474745.db2.gz DHALPBYCTWETLT-UHFFFAOYSA-N 0 3 318.417 2.282 20 10 DECDHN COC[C@@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000275337383 130306922 /nfs/dbraw/zinc/30/69/22/130306922.db2.gz OAOJIJFDIGJHBU-ONGXEEELSA-N 0 3 318.211 2.121 20 10 DECDHN CCCOc1ccc(C[N@H+](C)C[C@@H]2C[C@H](OC)CN2C)c([O-])c1 ZINC000284484739 131085090 /nfs/dbraw/zinc/08/50/90/131085090.db2.gz BGAIGZCOBBASCT-RDJZCZTQSA-N 0 3 322.449 2.332 20 10 DECDHN CCCOc1ccc(C[N@@H+](C)C[C@@H]2C[C@H](OC)CN2C)c([O-])c1 ZINC000284484739 131085092 /nfs/dbraw/zinc/08/50/92/131085092.db2.gz BGAIGZCOBBASCT-RDJZCZTQSA-N 0 3 322.449 2.332 20 10 DECDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)CC[NH2+]C ZINC000285809131 131203093 /nfs/dbraw/zinc/20/30/93/131203093.db2.gz RKEAKXYMIUSCGR-UHFFFAOYSA-N 0 3 315.211 2.113 20 10 DECDHN CCCNC(=O)CCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000297793128 132033963 /nfs/dbraw/zinc/03/39/63/132033963.db2.gz HKIXHDSQFZSJKH-UHFFFAOYSA-N 0 3 319.449 2.124 20 10 DECDHN C[C@H]1CCCN(CCNC(=O)N(C)Cc2ccccc2O)C1 ZINC000298725947 132075582 /nfs/dbraw/zinc/07/55/82/132075582.db2.gz OKXRKAYIOMKBCA-AWEZNQCLSA-N 0 3 305.422 2.266 20 10 DECDHN C[C@@H](CNC(=O)NCc1ccc(N(C)C)cc1)N(C)C1CC1 ZINC000075960887 401775317 /nfs/dbraw/zinc/77/53/17/401775317.db2.gz YBQSUKPTVIYDII-ZDUSSCGKSA-N 0 3 304.438 2.035 20 10 DECDHN CCN(CC)c1ccc(CN2CC[C@H](N3CCOCC3)C2)cc1 ZINC000121083076 402013962 /nfs/dbraw/zinc/01/39/62/402013962.db2.gz BVVDTQWNLAHWTJ-IBGZPJMESA-N 0 3 317.477 2.439 20 10 DECDHN CCOc1ccc([O-])c(C[NH2+][C@]2(CO)C[C@@H](OCC)C2(C)C)c1 ZINC000186591801 402445661 /nfs/dbraw/zinc/44/56/61/402445661.db2.gz XFLAVIBHYHCHKP-AEFFLSMTSA-N 0 3 323.433 2.447 20 10 DECDHN CCCOc1ccc(C[N@H+](C)[C@H](C)CN2CCOCC2)c([O-])c1 ZINC000278987300 402893574 /nfs/dbraw/zinc/89/35/74/402893574.db2.gz ACVJISHMHJHRBK-OAHLLOKOSA-N 0 3 322.449 2.334 20 10 DECDHN CCCOc1ccc(C[N@@H+](C)[C@H](C)CN2CCOCC2)c([O-])c1 ZINC000278987300 402893577 /nfs/dbraw/zinc/89/35/77/402893577.db2.gz ACVJISHMHJHRBK-OAHLLOKOSA-N 0 3 322.449 2.334 20 10 DECDHN CC[C@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1[O-])C(=O)N1CCOCC1 ZINC000273559635 403015197 /nfs/dbraw/zinc/01/51/97/403015197.db2.gz HVVAAZPLSZVDNU-HOCLYGCPSA-N 0 3 320.433 2.297 20 10 DECDHN O=C(c1cccc(O)c1[O-])N1CCC([NH+]2CCCCC2)CC1 ZINC000275026298 403099596 /nfs/dbraw/zinc/09/95/96/403099596.db2.gz SSIITCINJYWZGX-UHFFFAOYSA-N 0 3 304.390 2.188 20 10 DECDHN COC[C@H](O)CN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268889988 403120800 /nfs/dbraw/zinc/12/08/00/403120800.db2.gz JPKHKRGQITUVDJ-DZGCQCFKSA-N 0 3 310.413 2.474 20 10 DECDHN CCN(C)c1ccc([C@H](C)NC[C@@H]2CN(C)CCN2C)cc1 ZINC000268908223 403121550 /nfs/dbraw/zinc/12/15/50/403121550.db2.gz MJCZUCVQHVATSJ-MAUKXSAKSA-N 0 3 304.482 2.039 20 10 DECDHN COC(=O)[C@@H]1CCN(Cc2cc(OC)c(OC)cc2O)C[C@@H]1C ZINC000276381417 403169165 /nfs/dbraw/zinc/16/91/65/403169165.db2.gz AQYKOYRKUQKWEJ-WCQYABFASA-N 0 3 323.389 2.040 20 10 DECDHN COCCN(C)c1ccc(C[NH2+]Cc2ccccc2[O-])cn1 ZINC000276724849 403192958 /nfs/dbraw/zinc/19/29/58/403192958.db2.gz BZSYHQOKHCNQQO-UHFFFAOYSA-N 0 3 301.390 2.160 20 10 DECDHN CCN1CCCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000271046215 403257543 /nfs/dbraw/zinc/25/75/43/403257543.db2.gz OEGNDMYEUXDCNF-UHFFFAOYSA-N 0 3 309.366 2.144 20 10 DECDHN CN(C)c1ccc(CN(CCN2CCCC2=O)C2CC2)cc1 ZINC000299129557 403529662 /nfs/dbraw/zinc/52/96/62/403529662.db2.gz ZFRNXLHVIHDGQE-UHFFFAOYSA-N 0 3 301.434 2.339 20 10 DECDHN Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)CN2CCN(C)CC2)c([O-])c1 ZINC000293937796 403603859 /nfs/dbraw/zinc/60/38/59/403603859.db2.gz YJTBAOHKACNIFI-HOTGVXAUSA-N 0 3 305.466 2.296 20 10 DECDHN COc1cc(O)c(CN[C@H](CO)c2ccc(F)cc2)cc1OC ZINC000295116763 403764212 /nfs/dbraw/zinc/76/42/12/403764212.db2.gz MONWRWKRFXFQQP-CQSZACIVSA-N 0 3 321.348 2.372 20 10 DECDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+][C@H]2CCOC2)C1 ZINC000361781757 403862975 /nfs/dbraw/zinc/86/29/75/403862975.db2.gz DPBFFVDMQSAJLQ-CABCVRRESA-N 0 3 310.825 2.389 20 10 DECDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H](N(C)C)C1 ZINC000350030374 404300424 /nfs/dbraw/zinc/30/04/24/404300424.db2.gz BUNIUEPPPOSYLN-CQSZACIVSA-N 0 3 314.433 2.332 20 10 DECDHN CNC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000291972091 404607174 /nfs/dbraw/zinc/60/71/74/404607174.db2.gz UCMGXBDWHBXWBO-IUCAKERBSA-N 0 3 315.211 2.248 20 10 DECDHN Cc1cc(O)c(CN2CCN([C@@H]3CCC[C@H]3O)CC2)cc1C ZINC000367461072 405056750 /nfs/dbraw/zinc/05/67/50/405056750.db2.gz PSHLJTOMVWALFE-IAGOWNOFSA-N 0 3 304.434 2.040 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)cc1OC ZINC000245536589 225220601 /nfs/dbraw/zinc/22/06/01/225220601.db2.gz IKCDQLQXEOJXHN-SWLSCSKDSA-N 0 3 307.390 2.410 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)cc1OC ZINC000245536589 225220605 /nfs/dbraw/zinc/22/06/05/225220605.db2.gz IKCDQLQXEOJXHN-SWLSCSKDSA-N 0 3 307.390 2.410 20 10 DECDHN C[C@H](NC[C@@H]1CCCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000284181579 278261767 /nfs/dbraw/zinc/26/17/67/278261767.db2.gz RGYJYSZPPWVRBV-KBPBESRZSA-N 0 3 310.463 2.228 20 10 DECDHN C[C@@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000185364064 333207751 /nfs/dbraw/zinc/20/77/51/333207751.db2.gz RUGWLUNCHDYSTD-QWHCGFSZSA-N 0 3 311.857 2.332 20 10 DECDHN CC1(N2CCOCC2)CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000529665197 340767171 /nfs/dbraw/zinc/76/71/71/340767171.db2.gz UQKRMRMWMQFKTP-UHFFFAOYSA-N 0 3 308.397 2.218 20 10 DECDHN CCOc1ccc(O)c(CN2CCN(CC(C)(C)O)C[C@@H]2C)c1 ZINC000188741858 521144112 /nfs/dbraw/zinc/14/41/12/521144112.db2.gz ANEKCOBGHQBHSB-AWEZNQCLSA-N 0 3 322.449 2.068 20 10 DECDHN CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000182526267 521487181 /nfs/dbraw/zinc/48/71/81/521487181.db2.gz KLGZDOPTJMMZEP-ZDUSSCGKSA-N 0 3 306.406 2.210 20 10 DECDHN CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000182526267 521487196 /nfs/dbraw/zinc/48/71/96/521487196.db2.gz KLGZDOPTJMMZEP-ZDUSSCGKSA-N 0 3 306.406 2.210 20 10 DECDHN CN(C)c1ccc2c(c1)OCCN2C(=O)C12CCCN1CCC2 ZINC000339186316 522251960 /nfs/dbraw/zinc/25/19/60/522251960.db2.gz HBIXLXIRJUBJCQ-UHFFFAOYSA-N 0 3 315.417 2.106 20 10 DECDHN Cc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)c(O)c1O ZINC000182825642 526109558 /nfs/dbraw/zinc/10/95/58/526109558.db2.gz FPGWDHKAVDMUCM-UHFFFAOYSA-N 0 3 318.417 2.497 20 10 DECDHN Cn1cccc1CNCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000265647763 527399512 /nfs/dbraw/zinc/39/95/12/527399512.db2.gz LSFOVYVXMYMQDW-UHFFFAOYSA-N 0 3 317.408 2.415 20 10 DECDHN CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000370288667 527934716 /nfs/dbraw/zinc/93/47/16/527934716.db2.gz ONTLOVYFSKXVJE-SFHVURJKSA-N 0 3 321.417 2.492 20 10 DECDHN CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000370288667 527934722 /nfs/dbraw/zinc/93/47/22/527934722.db2.gz ONTLOVYFSKXVJE-SFHVURJKSA-N 0 3 321.417 2.492 20 10 DECDHN C[C@@H]1C[C@@H]1N1C[C@H](NC/C=C\c2ccc(N(C)C)cc2)CC1=O ZINC000835041465 649870301 /nfs/dbraw/zinc/87/03/01/649870301.db2.gz XNDJUZPCYUCCSO-PKGWIVCKSA-N 0 3 313.445 2.365 20 10 DECDHN C[C@@H]1C[C@@H]1N1C[C@H](NC/C=C/c2ccc(N(C)C)cc2)CC1=O ZINC000835041467 649870443 /nfs/dbraw/zinc/87/04/43/649870443.db2.gz XNDJUZPCYUCCSO-WZWHUJEASA-N 0 3 313.445 2.365 20 10 DECDHN COc1cc(Cl)cc(CN[C@@H]2C[C@H]3CCCCN3C2=O)c1O ZINC000835074979 649875839 /nfs/dbraw/zinc/87/58/39/649875839.db2.gz UDZTXUSPSZNCOF-CHWSQXEVSA-N 0 3 324.808 2.297 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)c1[O-] ZINC000835074979 649875842 /nfs/dbraw/zinc/87/58/42/649875842.db2.gz UDZTXUSPSZNCOF-CHWSQXEVSA-N 0 3 324.808 2.297 20 10 DECDHN CCCNC(=O)[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000123648229 625584983 /nfs/dbraw/zinc/58/49/83/625584983.db2.gz RWGLRUAQDZOSJU-CABCVRRESA-N 0 3 319.449 2.089 20 10 DECDHN Cc1conc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891245849 623789662 /nfs/dbraw/zinc/78/96/62/623789662.db2.gz JVWPTVWDHQDPNN-HNNXBMFYSA-N 0 3 316.405 2.082 20 10 DECDHN COC/C(C)=C/C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246170 623790176 /nfs/dbraw/zinc/79/01/76/623790176.db2.gz MTUUSULDGGUKPI-WKOYGUFESA-N 0 3 319.449 2.064 20 10 DECDHN CCC[C@H](OC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891249251 623793217 /nfs/dbraw/zinc/79/32/17/623793217.db2.gz PWNUEBWGMCAXCO-SJORKVTESA-N 0 3 321.465 2.287 20 10 DECDHN CCC[C@H](OC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891249250 623793533 /nfs/dbraw/zinc/79/35/33/623793533.db2.gz PWNUEBWGMCAXCO-IRXDYDNUSA-N 0 3 321.465 2.287 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCCO2)N(C)C)cc1 ZINC000891253092 623799156 /nfs/dbraw/zinc/79/91/56/623799156.db2.gz QLYSPUDUVVSWMT-DLBZAZTESA-N 0 3 319.449 2.041 20 10 DECDHN CCCN1CCC[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000126141851 636132438 /nfs/dbraw/zinc/13/24/38/636132438.db2.gz QZRLODHZAHXRMF-INIZCTEOSA-N 0 3 307.413 2.382 20 10 DECDHN COc1ccc(C[NH2+][C@H]2CCC3(C[C@H]2F)OCCO3)c([O-])c1 ZINC000894186446 636400492 /nfs/dbraw/zinc/40/04/92/636400492.db2.gz WZUAYDWDVOYFAD-KGLIPLIRSA-N 0 3 311.353 2.124 20 10 DECDHN COC(=O)c1c(CN[C@H](C)C[C@@H](C)O)c2cc(F)ccc2n1C ZINC000894437132 637038666 /nfs/dbraw/zinc/03/86/66/637038666.db2.gz NIEKAGBNDULJLL-GHMZBOCLSA-N 0 3 322.380 2.353 20 10 DECDHN CO[C@@H](C)CN(CC(=O)NCc1ccc(N(C)C)cc1)C(C)C ZINC000839496077 637892960 /nfs/dbraw/zinc/89/29/60/637892960.db2.gz WYZQILFETKYOBW-HNNXBMFYSA-N 0 3 321.465 2.114 20 10 DECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H]([C@@]2(C)COC(=O)N2)C1 ZINC000896395977 638501708 /nfs/dbraw/zinc/50/17/08/638501708.db2.gz WVLHXVWLCHZDKV-SUMWQHHRSA-N 0 3 304.390 2.411 20 10 DECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H]([C@@]2(C)COC(=O)N2)C1 ZINC000896395977 638501711 /nfs/dbraw/zinc/50/17/11/638501711.db2.gz WVLHXVWLCHZDKV-SUMWQHHRSA-N 0 3 304.390 2.411 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]CCOC2CCOCC2)c1[O-] ZINC000897195009 639239402 /nfs/dbraw/zinc/23/94/02/639239402.db2.gz GFBFLNCORZCOLL-UHFFFAOYSA-N 0 3 315.797 2.339 20 10 DECDHN C[C@@H]1C[C@H]([NH2+][C@@H](CO)C2CCOCC2)c2c1c(F)ccc2[O-] ZINC000757658668 639866331 /nfs/dbraw/zinc/86/63/31/639866331.db2.gz JARLNNYPXDRLBA-SWHYSGLUSA-N 0 3 309.381 2.457 20 10 DECDHN C[C@@H]([NH2+]CCCN1CCN(C)CC1)c1ccc(Cl)cc1[O-] ZINC000841743040 650555751 /nfs/dbraw/zinc/55/57/51/650555751.db2.gz BVJMCWGKKRIBOM-CYBMUJFWSA-N 0 3 311.857 2.334 20 10 DECDHN CCN(CCC1CC1)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000760885449 640240074 /nfs/dbraw/zinc/24/00/74/640240074.db2.gz KPBSSWOFFQCAFN-UHFFFAOYSA-N 0 3 303.450 2.491 20 10 DECDHN CC[C@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000030143461 640723814 /nfs/dbraw/zinc/72/38/14/640723814.db2.gz ZPFAAHJTHGULRM-HNNXBMFYSA-N 0 3 303.450 2.491 20 10 DECDHN COc1cccc([O-])c1C[NH2+]CCc1cn2c(n1)SCC2 ZINC000767188551 640953411 /nfs/dbraw/zinc/95/34/11/640953411.db2.gz KHJXCUUXTORNFM-UHFFFAOYSA-N 0 3 305.403 2.035 20 10 DECDHN COC(=O)c1cc2n(n1)CCC[C@H]2NCc1cccc(C)c1O ZINC000897986050 640995918 /nfs/dbraw/zinc/99/59/18/640995918.db2.gz VHZDKXVRFLVZJE-CYBMUJFWSA-N 0 3 315.373 2.308 20 10 DECDHN CC(C)COC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768442139 641082159 /nfs/dbraw/zinc/08/21/59/641082159.db2.gz JIVBPHMZHWPUOM-QGZVFWFLSA-N 0 3 321.417 2.455 20 10 DECDHN CC(C)OC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768448427 641083484 /nfs/dbraw/zinc/08/34/84/641083484.db2.gz CBQICRDFORTRAU-INIZCTEOSA-N 0 3 307.390 2.207 20 10 DECDHN CCOc1ccc(CN2CCC[C@@H]2C(=O)NC2CC2)c(O)c1 ZINC000768521121 641092513 /nfs/dbraw/zinc/09/25/13/641092513.db2.gz UQFZMQCJJZMOOT-OAHLLOKOSA-N 0 3 304.390 2.034 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c([O-])c1 ZINC000768937431 641146275 /nfs/dbraw/zinc/14/62/75/641146275.db2.gz RGYNLQKVXNEHQK-INIZCTEOSA-N 0 3 320.433 2.088 20 10 DECDHN CCOc1ccc(C[N@H+]2CCC[C@H]2CN2CCOCC2)c([O-])c1 ZINC000768937431 641146281 /nfs/dbraw/zinc/14/62/81/641146281.db2.gz RGYNLQKVXNEHQK-INIZCTEOSA-N 0 3 320.433 2.088 20 10 DECDHN CCC1(O)CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000769482733 641248053 /nfs/dbraw/zinc/24/80/53/641248053.db2.gz DTWBTMXYJYPRBY-UHFFFAOYSA-N 0 3 322.424 2.399 20 10 DECDHN CCOc1ccc(C[N@H+](C)C[C@H]2CCN(C(C)=O)C2)c([O-])c1 ZINC000770379096 641362401 /nfs/dbraw/zinc/36/24/01/641362401.db2.gz IOBVELVTDZTQBN-CQSZACIVSA-N 0 3 306.406 2.091 20 10 DECDHN CCOc1ccc(C[N@@H+](C)C[C@H]2CCN(C(C)=O)C2)c([O-])c1 ZINC000770379096 641362405 /nfs/dbraw/zinc/36/24/05/641362405.db2.gz IOBVELVTDZTQBN-CQSZACIVSA-N 0 3 306.406 2.091 20 10 DECDHN NC(=O)C1(c2ccccc2)CC[NH+](Cc2ccccc2[O-])CC1 ZINC000770510000 641378565 /nfs/dbraw/zinc/37/85/65/641378565.db2.gz GHVRGNFMMAXCPC-UHFFFAOYSA-N 0 3 310.397 2.411 20 10 DECDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1CCN1C1CCOCC1)CC2 ZINC000927103800 641628778 /nfs/dbraw/zinc/62/87/78/641628778.db2.gz SQLDHDMKQIMSJY-HZPDHXFCSA-N 0 3 302.418 2.222 20 10 DECDHN C[C@H](NC(=O)N[C@@H]1CCCN(C)C1)c1ccc(N(C)C)cc1 ZINC000773370046 641764896 /nfs/dbraw/zinc/76/48/96/641764896.db2.gz YKLGIVHVPDVXMN-DZGCQCFKSA-N 0 3 304.438 2.207 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CC23CC3)N(C)C)cc1 ZINC000899097679 641931191 /nfs/dbraw/zinc/93/11/91/641931191.db2.gz DYTYQTCOTLMLNP-HZPDHXFCSA-N 0 3 316.449 2.207 20 10 DECDHN C[C@@H](CF)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100949 641941169 /nfs/dbraw/zinc/94/11/69/641941169.db2.gz DLQRKDWWWHILDQ-WFASDCNBSA-N 0 3 310.417 2.013 20 10 DECDHN C[C@@H](NCC(=O)NCc1cccnc1)c1ccc(N(C)C)cc1 ZINC000775833456 642103308 /nfs/dbraw/zinc/10/33/08/642103308.db2.gz JJJHNJMSVUPKGV-CQSZACIVSA-N 0 3 312.417 2.115 20 10 DECDHN CC[C@@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1ccccc1[O-] ZINC000903372159 643330602 /nfs/dbraw/zinc/33/06/02/643330602.db2.gz IPRGCNZUKKLLRH-OAHLLOKOSA-N 0 3 321.417 2.481 20 10 DECDHN Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC000903396004 643332449 /nfs/dbraw/zinc/33/24/49/643332449.db2.gz KYENFOKYNZJBFG-OLZOCXBDSA-N 0 3 314.389 2.126 20 10 DECDHN COC(=O)[C@@H]1CCN(Cc2cc(Cl)cc(OC)c2O)[C@H]1C ZINC000787422090 643493586 /nfs/dbraw/zinc/49/35/86/643493586.db2.gz ZHLHVPXCTNIAON-JOYOIKCWSA-N 0 3 313.781 2.438 20 10 DECDHN COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])[C@H]1C ZINC000787422090 643493591 /nfs/dbraw/zinc/49/35/91/643493591.db2.gz ZHLHVPXCTNIAON-JOYOIKCWSA-N 0 3 313.781 2.438 20 10 DECDHN COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])[C@H]1C ZINC000787422090 643493594 /nfs/dbraw/zinc/49/35/94/643493594.db2.gz ZHLHVPXCTNIAON-JOYOIKCWSA-N 0 3 313.781 2.438 20 10 DECDHN COc1cc(CN2C[C@H](C)OC3(CCOCC3)C2)c(O)cc1C ZINC000790383705 643846124 /nfs/dbraw/zinc/84/61/24/643846124.db2.gz FQABSNNNGOFZCR-AWEZNQCLSA-N 0 3 321.417 2.479 20 10 DECDHN C[C@H]1C[C@H]([NH2+]CC2(S(C)(=O)=O)CC2)c2c1c(F)ccc2[O-] ZINC000794830317 644481712 /nfs/dbraw/zinc/48/17/12/644481712.db2.gz WQBKWPHSQVBPIE-ONGXEEELSA-N 0 3 313.394 2.246 20 10 DECDHN CCOC1CC2(C1)CC[N@H+](Cc1cc3c(cc1[O-])OC[C@@H]3O)C2 ZINC000795720779 644624997 /nfs/dbraw/zinc/62/49/97/644624997.db2.gz OTTAZSLQANMJPS-MNQCNDSGSA-N 0 3 319.401 2.209 20 10 DECDHN CCOC1CC2(C1)CC[N@@H+](Cc1cc3c(cc1[O-])OC[C@@H]3O)C2 ZINC000795720779 644625001 /nfs/dbraw/zinc/62/50/01/644625001.db2.gz OTTAZSLQANMJPS-MNQCNDSGSA-N 0 3 319.401 2.209 20 10 DECDHN C[C@@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1cc(F)ccc1[O-] ZINC000797071372 644834233 /nfs/dbraw/zinc/83/42/33/644834233.db2.gz RWKPXWRTJGPOKN-ZJUUUORDSA-N 0 3 301.383 2.148 20 10 DECDHN [O-]c1ccc(F)cc1C[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000809794464 646285200 /nfs/dbraw/zinc/28/52/00/646285200.db2.gz YPLJTYDTCULVGG-UHFFFAOYSA-N 0 3 312.348 2.461 20 10 DECDHN CC1(C)CN(Cc2cc3c(cc2O)OC[C@@H]3O)[C@H]1[C@H]1CCCO1 ZINC000811778983 646575801 /nfs/dbraw/zinc/57/58/01/646575801.db2.gz OPYGWAYTEMLITH-UXLLHSPISA-N 0 3 319.401 2.207 20 10 DECDHN CN1CCCc2cc(CNC[C@@](C)(O)C(F)(F)F)ccc21 ZINC000818985425 647557893 /nfs/dbraw/zinc/55/78/93/647557893.db2.gz TXNBAOFAHLCXBO-CQSZACIVSA-N 0 3 302.340 2.472 20 10 DECDHN CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CCCN(C)C1 ZINC000820259136 647813730 /nfs/dbraw/zinc/81/37/30/647813730.db2.gz VHCHETVDXULFDC-ZDUSSCGKSA-N 0 3 303.366 2.015 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H]4C[C@H]3C[S@]4=O)c2c1 ZINC000844744079 651163857 /nfs/dbraw/zinc/16/38/57/651163857.db2.gz DZBGXNWIBLGYCT-AHASJALOSA-N 0 3 317.410 2.259 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H]4C[C@H]3C[S@]4=O)c2c1 ZINC000844744079 651163859 /nfs/dbraw/zinc/16/38/59/651163859.db2.gz DZBGXNWIBLGYCT-AHASJALOSA-N 0 3 317.410 2.259 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@]3(CC3(F)F)C1)[C@H](O)CO2 ZINC000844751844 651164947 /nfs/dbraw/zinc/16/49/47/651164947.db2.gz WBQYRYQFIXRGNO-UKRRQHHQSA-N 0 3 311.328 2.439 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@]3(CC3(F)F)C1)[C@H](O)CO2 ZINC000844751844 651164948 /nfs/dbraw/zinc/16/49/48/651164948.db2.gz WBQYRYQFIXRGNO-UKRRQHHQSA-N 0 3 311.328 2.439 20 10 DECDHN Cc1ccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c([O-])c1 ZINC000846664218 651343907 /nfs/dbraw/zinc/34/39/07/651343907.db2.gz XILPXEPYFVVSEH-MRXNPFEDSA-N 0 3 313.401 2.196 20 10 DECDHN CCc1cccc(CN2CCN(c3ccnc(C)n3)CC2)c1O ZINC000848903496 651553874 /nfs/dbraw/zinc/55/38/74/651553874.db2.gz ULNXEAZBNBIGRC-UHFFFAOYSA-N 0 3 312.417 2.375 20 10 DECDHN COc1cc(CNCC(=O)NC(C)C)c(O)c(C(C)(C)C)c1 ZINC000850012182 651802495 /nfs/dbraw/zinc/80/24/95/651802495.db2.gz GJHAJOJHPZWDQD-UHFFFAOYSA-N 0 3 308.422 2.313 20 10 DECDHN CCOc1ccc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)c([O-])c1 ZINC000850397425 651920600 /nfs/dbraw/zinc/92/06/00/651920600.db2.gz XNZBPCUMFDYBAL-INIZCTEOSA-N 0 3 320.433 2.134 20 10 DECDHN [O-]c1cccc2c1[C@H]([NH2+]C1CCN([C@@H]3CCOC3)CC1)CC2 ZINC000850554761 651952529 /nfs/dbraw/zinc/95/25/29/651952529.db2.gz FQLJXMDBOKHDAZ-HZPDHXFCSA-N 0 3 302.418 2.222 20 10 DECDHN CSC[C@@H](CCO)NCc1cc(F)c(N(C)C)cc1F ZINC000858144001 652264737 /nfs/dbraw/zinc/26/47/37/652264737.db2.gz DJSLEJJYRDBMEH-LLVKDONJSA-N 0 3 304.406 2.234 20 10 DECDHN CO[C@H](CNCc1cc(F)c(N(C)C)cc1F)[C@H]1CCOC1 ZINC000858186968 652274437 /nfs/dbraw/zinc/27/44/37/652274437.db2.gz GPCSUGODIZJDLF-MEDUHNTESA-N 0 3 314.376 2.172 20 10 DECDHN COc1ccc(N(C)CCN(C)C[C@@H]2COC(C)(C)O2)cc1 ZINC000852212177 652364313 /nfs/dbraw/zinc/36/43/13/652364313.db2.gz VXBKBZLHWLXSNU-MRXNPFEDSA-N 0 3 308.422 2.215 20 10 DECDHN CC(=O)c1cc(Cl)cc(CN(C)C[C@@H]2COCCO2)c1[O-] ZINC000852495297 652409647 /nfs/dbraw/zinc/40/96/47/652409647.db2.gz IVVZVRQLKIKZFC-CYBMUJFWSA-N 0 3 313.781 2.095 20 10 DECDHN CC(=O)c1cc(Cl)cc(CN(C)C[C@@H]2COCCO2)c1O ZINC000852495297 652409648 /nfs/dbraw/zinc/40/96/48/652409648.db2.gz IVVZVRQLKIKZFC-CYBMUJFWSA-N 0 3 313.781 2.095 20 10 DECDHN COc1ccc2c(c1)C[C@H](C(C)C)CN2C[C@@H]1CNCCO1 ZINC000852751878 652449684 /nfs/dbraw/zinc/44/96/84/652449684.db2.gz JHTRKKONRQNTBY-RDJZCZTQSA-N 0 3 304.434 2.318 20 10 DECDHN CC1CCC(N2CCN(C(=O)c3cccc(O)c3O)CC2)CC1 ZINC000193073381 684464901 /nfs/dbraw/zinc/46/49/01/684464901.db2.gz WKLAEAAZFGWWGR-UHFFFAOYSA-N 0 3 318.417 2.434 20 10 DECDHN O=S(=O)(c1ccccc1)[C@H]1C[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000865767502 687328125 /nfs/dbraw/zinc/32/81/25/687328125.db2.gz UAAKCHMJQIPBNI-KOMQPUFPSA-N 0 3 317.410 2.487 20 10 DECDHN CN(C)c1ccc(CNC(=O)N2CC[C@H]3[C@@H]2CCCN3C)cc1 ZINC000871763492 688862640 /nfs/dbraw/zinc/86/26/40/688862640.db2.gz JAZKESOMELSURJ-IRXDYDNUSA-N 0 3 316.449 2.131 20 10 DECDHN CO[C@@]1(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CCOC1 ZINC000876531652 689849283 /nfs/dbraw/zinc/84/92/83/689849283.db2.gz LJPDGERTBSKXGI-SJLPKXTDSA-N 0 3 321.417 2.179 20 10 DECDHN CO[C@@]1(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CCOC1 ZINC000876531652 689849288 /nfs/dbraw/zinc/84/92/88/689849288.db2.gz LJPDGERTBSKXGI-SJLPKXTDSA-N 0 3 321.417 2.179 20 10 DECDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000877141687 690028214 /nfs/dbraw/zinc/02/82/14/690028214.db2.gz ZNMJDENIKCPFOM-CQSZACIVSA-N 0 3 316.376 2.274 20 10 DECDHN COc1ccc(C[NH2+]C2CCC(CNC(C)=O)CC2)c([O-])c1 ZINC000877493983 690130551 /nfs/dbraw/zinc/13/05/51/690130551.db2.gz SBPYEKGBAPDOHT-UHFFFAOYSA-N 0 3 306.406 2.185 20 10 DECDHN CCn1ncnc1CN[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000877592715 690161434 /nfs/dbraw/zinc/16/14/34/690161434.db2.gz SDWFCCDTRHBTFA-CQSZACIVSA-N 0 3 301.438 2.393 20 10 DECDHN COc1ccc(N2CC[C@@H](CNCc3snnc3C)C2)cc1 ZINC000877597883 690163074 /nfs/dbraw/zinc/16/30/74/690163074.db2.gz BPGBEMGRZBUZKB-ZDUSSCGKSA-N 0 3 318.446 2.471 20 10 DECDHN CN(C)c1ccc(CN2CCc3c(CC(N)=O)cccc3C2)cc1 ZINC000877679881 690188612 /nfs/dbraw/zinc/18/86/12/690188612.db2.gz LIBDCFNPTSQYKV-UHFFFAOYSA-N 0 3 323.440 2.339 20 10 DECDHN COc1ccc(N2CCN([C@@H]3CCO[C@H](C)C3)CC2)c(OC)c1 ZINC000879462018 690646387 /nfs/dbraw/zinc/64/63/87/690646387.db2.gz KYRTUVUZXIWAEF-HUUCEWRRSA-N 0 3 320.433 2.393 20 10 DECDHN CCN(C)c1ccc(CN2CCN(CCCCCO)CC2)cc1 ZINC000931495319 694412917 /nfs/dbraw/zinc/41/29/17/694412917.db2.gz IPCBTCBADKHEIX-UHFFFAOYSA-N 0 3 319.493 2.423 20 10 DECDHN COc1cccc([O-])c1C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F ZINC000883366447 691489972 /nfs/dbraw/zinc/48/99/72/691489972.db2.gz UAKKWNPDKPMKBH-SNVBAGLBSA-N 0 3 315.238 2.049 20 10 DECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)[C@H]2C)O1 ZINC000886341402 692061456 /nfs/dbraw/zinc/06/14/56/692061456.db2.gz UQXNNPTVPHTXPN-KHSSZTOVSA-N 0 3 321.417 2.463 20 10 DECDHN COc1ccc(C[NH+]2CCC(c3noc(C)n3)CC2)c([O-])c1 ZINC000092787949 778848326 /nfs/dbraw/zinc/84/83/26/778848326.db2.gz VXIIKYCZQMARHU-UHFFFAOYSA-N 0 3 303.362 2.472 20 10 DECDHN CNCc1cc(NCc2cc(Br)ccc2O)ncn1 ZINC001171174417 790892968 /nfs/dbraw/zinc/89/29/68/790892968.db2.gz SRQBLBSCGNNHCO-UHFFFAOYSA-N 0 3 323.194 2.276 20 10 DECDHN CN1CCN(c2ccc(NCc3ccc(O)c(O)c3)cc2)CC1 ZINC001169994732 785829088 /nfs/dbraw/zinc/82/90/88/785829088.db2.gz GEBNOPAIGBTIGA-UHFFFAOYSA-N 0 3 313.401 2.462 20 10 DECDHN [O-]c1cc(O)ccc1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC001173661972 793798673 /nfs/dbraw/zinc/79/86/73/793798673.db2.gz BVVZEPJPTXXHJD-UHFFFAOYSA-N 0 3 304.312 2.214 20 10 DECDHN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+](C)CCN1CCCC1 ZINC001139129623 796329098 /nfs/dbraw/zinc/32/90/98/796329098.db2.gz BIBUKOFANUNIQQ-UHFFFAOYSA-N 0 3 316.401 2.335 20 10 DECDHN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+](C)CCN1CCCC1 ZINC001139129623 796329105 /nfs/dbraw/zinc/32/91/05/796329105.db2.gz BIBUKOFANUNIQQ-UHFFFAOYSA-N 0 3 316.401 2.335 20 10 DECDHN CCN1CCN(c2ccc(CN(C)Cc3ccno3)cc2)CC1 ZINC001140309351 796504700 /nfs/dbraw/zinc/50/47/00/796504700.db2.gz CBAYXJOOTFWXTL-UHFFFAOYSA-N 0 3 314.433 2.449 20 10 DECDHN [O-]c1cc(Cl)ccc1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC001140465081 796526110 /nfs/dbraw/zinc/52/61/10/796526110.db2.gz HFHJKFYYUNMOLG-UHFFFAOYSA-N 0 3 323.868 2.259 20 10 DECDHN O[C@H]1CCCCN(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140660370 796552445 /nfs/dbraw/zinc/55/24/45/796552445.db2.gz PXPFESRYKFHJKO-INIZCTEOSA-N 0 3 308.397 2.009 20 10 DECDHN Fc1cc(N2CCOCC2)ccc1CN1CCC[C@@]12CCOC2 ZINC001140664756 796553359 /nfs/dbraw/zinc/55/33/59/796553359.db2.gz RFAWCVZCZGQLKN-SFHVURJKSA-N 0 3 320.408 2.417 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CC[C@]3(C2)CCCOC3)c(OC)c1 ZINC001141029050 796620000 /nfs/dbraw/zinc/62/00/00/796620000.db2.gz IYHXMBBIVGVWFZ-KRWDZBQOSA-N 0 3 307.390 2.412 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CC[C@]3(C2)CCCOC3)c(OC)c1 ZINC001141029050 796620001 /nfs/dbraw/zinc/62/00/01/796620001.db2.gz IYHXMBBIVGVWFZ-KRWDZBQOSA-N 0 3 307.390 2.412 20 10 DECDHN Cc1cccc(O[C@H]2CCN(Cc3cc(O)ccc3O)C2)n1 ZINC001141162875 796642760 /nfs/dbraw/zinc/64/27/60/796642760.db2.gz IPZCKSXFYRLGOA-HNNXBMFYSA-N 0 3 300.358 2.455 20 10 DECDHN Oc1ccc(CN2CCN(CCc3ccccc3)CC2)cc1O ZINC001203878467 798194296 /nfs/dbraw/zinc/19/42/96/798194296.db2.gz HCQAQMJYBWOCFM-UHFFFAOYSA-N 0 3 312.413 2.458 20 10 DECDHN COc1cccc(O[C@@H]2CC[N@H+](Cc3ccccc3[O-])C2)n1 ZINC001203561104 800080755 /nfs/dbraw/zinc/08/07/55/800080755.db2.gz LGHHAWYTQGHPOF-CQSZACIVSA-N 0 3 300.358 2.449 20 10 DECDHN COc1cccc(O[C@@H]2CC[N@@H+](Cc3ccccc3[O-])C2)n1 ZINC001203561104 800080760 /nfs/dbraw/zinc/08/07/60/800080760.db2.gz LGHHAWYTQGHPOF-CQSZACIVSA-N 0 3 300.358 2.449 20 10 DECDHN COc1ccc(C[N@@H+]2CC[C@@H](Oc3ncncc3C)C2)c([O-])c1 ZINC001203634957 800096503 /nfs/dbraw/zinc/09/65/03/800096503.db2.gz CPXHGVYJSAWNQH-OAHLLOKOSA-N 0 3 315.373 2.153 20 10 DECDHN COc1ccc(C[N@H+]2CC[C@@H](Oc3ncncc3C)C2)c([O-])c1 ZINC001203634957 800096511 /nfs/dbraw/zinc/09/65/11/800096511.db2.gz CPXHGVYJSAWNQH-OAHLLOKOSA-N 0 3 315.373 2.153 20 10 DECDHN COC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204274265 800198138 /nfs/dbraw/zinc/19/81/38/800198138.db2.gz LMEVGPVLICCDRW-DLBZAZTESA-N 0 3 307.390 2.115 20 10 DECDHN COC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204274265 800198140 /nfs/dbraw/zinc/19/81/40/800198140.db2.gz LMEVGPVLICCDRW-DLBZAZTESA-N 0 3 307.390 2.115 20 10 DECDHN Oc1ccc(CN2CCC(Oc3ncc(F)cn3)CC2)c(O)c1 ZINC001204277383 800198862 /nfs/dbraw/zinc/19/88/62/800198862.db2.gz CCSSVUJJRYDVIN-UHFFFAOYSA-N 0 3 319.336 2.070 20 10 DECDHN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1C[C@H](C)CC[C@H]1CN ZINC001205819421 800427622 /nfs/dbraw/zinc/42/76/22/800427622.db2.gz XQLYIBAEWKNZOL-YPMHNXCESA-N 0 3 316.401 2.366 20 10 DECDHN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1C[C@H](C)CC[C@H]1CN ZINC001205819421 800427626 /nfs/dbraw/zinc/42/76/26/800427626.db2.gz XQLYIBAEWKNZOL-YPMHNXCESA-N 0 3 316.401 2.366 20 10 DECDHN COc1cc(N(C)C)ccc1CN1CCN2CCCC[C@@H]2C1 ZINC001231851937 801737098 /nfs/dbraw/zinc/73/70/98/801737098.db2.gz JPBXVHJGZRGUFC-QGZVFWFLSA-N 0 3 303.450 2.431 20 10 DECDHN CC(C)(C)OC(=O)C[C@H]1CCCN1Cc1cc(O)c(O)cc1O ZINC001233486264 802127867 /nfs/dbraw/zinc/12/78/67/802127867.db2.gz FUXJFERGGXCZHY-GFCCVEGCSA-N 0 3 323.389 2.500 20 10 DECDHN Cc1cccc(O[C@H]2CCN(Cc3cc(O)c(O)cc3O)C2)n1 ZINC001233487820 802128550 /nfs/dbraw/zinc/12/85/50/802128550.db2.gz SYDBSZQLESXUDI-ZDUSSCGKSA-N 0 3 316.357 2.160 20 10 DECDHN O=C1c2ccccc2C(=O)c2c(O[C@H]3CNC[C@@H]3F)cccc21 ZINC001218018584 802132491 /nfs/dbraw/zinc/13/24/91/802132491.db2.gz AQNJUYLKSSMXDU-ZFWWWQNUSA-N 0 3 311.312 2.151 20 10 DECDHN COC(=O)[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233727632 802191302 /nfs/dbraw/zinc/19/13/02/802191302.db2.gz NOQZCGKLXHYQLB-SNVBAGLBSA-N 0 3 319.279 2.286 20 10 DECDHN COC(=O)[C@@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233727632 802191307 /nfs/dbraw/zinc/19/13/07/802191307.db2.gz NOQZCGKLXHYQLB-SNVBAGLBSA-N 0 3 319.279 2.286 20 10 DECDHN Nc1nc(Cl)ccc1NC(=O)C[C@@H]([NH3+])c1ccccc1[O-] ZINC001218766888 802239450 /nfs/dbraw/zinc/23/94/50/802239450.db2.gz NSEBWHADWACABV-SECBINFHSA-N 0 3 306.753 2.051 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](F)[C@H](O)C3)c2c1 ZINC001234525858 802403596 /nfs/dbraw/zinc/40/35/96/802403596.db2.gz LSWVQBLWLAMMQK-NVXWUHKLSA-N 0 3 305.349 2.459 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](F)[C@H](O)C3)c2c1 ZINC001234525858 802403598 /nfs/dbraw/zinc/40/35/98/802403598.db2.gz LSWVQBLWLAMMQK-NVXWUHKLSA-N 0 3 305.349 2.459 20 10 DECDHN Nc1ccc(CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC001524009879 1069792583 /nfs/dbraw/zinc/79/25/83/1069792583.db2.gz WQBZEOSWVQQDOJ-QGZVFWFLSA-N 0 3 324.428 2.192 20 10 DECDHN CN(C)Cc1cccc(C(=O)NCc2cccc(O)c2O)c1 ZINC001651172987 1079793617 /nfs/dbraw/zinc/79/36/17/1079793617.db2.gz MRVKTHKMJYVJHD-UHFFFAOYSA-N 0 3 300.358 2.089 20 10 DECDHN COc1ccc(O)c(CNCC(=O)Nc2cccc(F)c2)c1 ZINC001658027499 1080193846 /nfs/dbraw/zinc/19/38/46/1080193846.db2.gz IHVOHJFBQJAEFT-UHFFFAOYSA-N 0 3 304.321 2.268 20 10 DECDHN COc1cc(C)c(CN2C[C@H](C)O[C@@]3(CCCOC3)C2)c(O)c1 ZINC001659017957 1080225504 /nfs/dbraw/zinc/22/55/04/1080225504.db2.gz BIVOLLDVEMDTHN-KSSFIOAISA-N 0 3 321.417 2.479 20 10 DECDHN COc1ccc(C[NH+]2CCC3(C=C(C(N)=O)CC3)CC2)c([O-])c1 ZINC001277454719 1083979930 /nfs/dbraw/zinc/97/99/30/1083979930.db2.gz YNZYRNIVNAQQRD-UHFFFAOYSA-N 0 3 316.401 2.189 20 10 DECDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@]3(CCNC3=O)C2)c([O-])c1 ZINC001235681331 1084495892 /nfs/dbraw/zinc/49/58/92/1084495892.db2.gz HRTCJMYZNAXIHF-GOSISDBHSA-N 0 3 302.418 2.402 20 10 DECDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@]3(CCNC3=O)C2)c([O-])c1 ZINC001235681331 1084495895 /nfs/dbraw/zinc/49/58/95/1084495895.db2.gz HRTCJMYZNAXIHF-GOSISDBHSA-N 0 3 302.418 2.402 20 10 DECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@]2(CCN(CC(F)F)C2=O)C1 ZINC001274304326 1091178744 /nfs/dbraw/zinc/17/87/44/1091178744.db2.gz SEZYOPTWYOLWDR-QGZVFWFLSA-N 0 3 324.371 2.390 20 10 DECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@]2(CCN(CC(F)F)C2=O)C1 ZINC001274304326 1091178754 /nfs/dbraw/zinc/17/87/54/1091178754.db2.gz SEZYOPTWYOLWDR-QGZVFWFLSA-N 0 3 324.371 2.390 20 10 DECDHN CN(C)c1ccc(CN2CC[C@]3(CCCN3C3CC3)C2=O)cc1 ZINC001274022658 1093768772 /nfs/dbraw/zinc/76/87/72/1093768772.db2.gz KFLJGTJELMTVMY-LJQANCHMSA-N 0 3 313.445 2.482 20 10 DECDHN COc1cc(C[N@H+](C)CC2COC2)c([O-])cc1Br ZINC001236749336 1138407390 /nfs/dbraw/zinc/40/73/90/1138407390.db2.gz BGZGKFNNHKKUJO-UHFFFAOYSA-N 0 3 316.195 2.242 20 10 DECDHN COc1cc(C[N@@H+](C)CC2COC2)c([O-])cc1Br ZINC001236749336 1138407397 /nfs/dbraw/zinc/40/73/97/1138407397.db2.gz BGZGKFNNHKKUJO-UHFFFAOYSA-N 0 3 316.195 2.242 20 10 DECDHN COc1cc(C)c(CN2CCC(F)(F)[C@H](CO)C2)c(O)c1 ZINC001236809206 1138434679 /nfs/dbraw/zinc/43/46/79/1138434679.db2.gz UQQQRJUYSKHACO-NSHDSACASA-N 0 3 301.333 2.159 20 10 DECDHN COc1cc(C)c(CN2CCC(F)(F)[C@@H](CO)C2)c(O)c1 ZINC001236809205 1138435059 /nfs/dbraw/zinc/43/50/59/1138435059.db2.gz UQQQRJUYSKHACO-LLVKDONJSA-N 0 3 301.333 2.159 20 10 DECDHN CN(Cc1ccc(N2CCN(C)CC2)cc1F)[C@@H]1CCCOC1 ZINC001236947302 1138464036 /nfs/dbraw/zinc/46/40/36/1138464036.db2.gz QDJYZBRYIJKWAC-QGZVFWFLSA-N 0 3 321.440 2.188 20 10 DECDHN CCOC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1c(C)cccc1[O-])C2 ZINC001237485804 1138653232 /nfs/dbraw/zinc/65/32/32/1138653232.db2.gz UAVLCQWCNULBID-SJLPKXTDSA-N 0 3 319.401 2.245 20 10 DECDHN CCOC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1c(C)cccc1[O-])C2 ZINC001237485804 1138653233 /nfs/dbraw/zinc/65/32/33/1138653233.db2.gz UAVLCQWCNULBID-SJLPKXTDSA-N 0 3 319.401 2.245 20 10 DECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@]2(CCN2c2ncccn2)C1 ZINC001237486973 1138653256 /nfs/dbraw/zinc/65/32/56/1138653256.db2.gz WGSQHJWTUCAHGG-SFHVURJKSA-N 0 3 310.401 2.345 20 10 DECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@]2(CCN2c2ncccn2)C1 ZINC001237486973 1138653259 /nfs/dbraw/zinc/65/32/59/1138653259.db2.gz WGSQHJWTUCAHGG-SFHVURJKSA-N 0 3 310.401 2.345 20 10 DECDHN Cc1cc(F)cc(C[N@H+]2CC[C@H]3[C@@H](CCC(=O)N3C)C2)c1[O-] ZINC001238066188 1138819647 /nfs/dbraw/zinc/81/96/47/1138819647.db2.gz JEGNZMTUZBRAIQ-WFASDCNBSA-N 0 3 306.381 2.282 20 10 DECDHN Cc1cc(F)cc(C[N@@H+]2CC[C@H]3[C@@H](CCC(=O)N3C)C2)c1[O-] ZINC001238066188 1138819648 /nfs/dbraw/zinc/81/96/48/1138819648.db2.gz JEGNZMTUZBRAIQ-WFASDCNBSA-N 0 3 306.381 2.282 20 10 DECDHN COc1ccc(CNC/C=C/CNC(=O)[C@@H]2C[C@@H]2C)cc1C ZINC001320952237 1141004666 /nfs/dbraw/zinc/00/46/66/1141004666.db2.gz JTMPAMZOYXQTSQ-KJJZUGDZSA-N 0 3 302.418 2.422 20 10 DECDHN COc1cc(I)cc(C[NH+](C)C)c1[O-] ZINC001248385883 1141785405 /nfs/dbraw/zinc/78/54/05/1141785405.db2.gz COYDPKVTIWSNGS-UHFFFAOYSA-N 0 3 307.131 2.067 20 10 DECDHN CCOCCN1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001323281746 1141836814 /nfs/dbraw/zinc/83/68/14/1141836814.db2.gz KGJUIOOJGYRBDK-UHFFFAOYSA-N 0 3 317.477 2.441 20 10 DECDHN COC(=O)Cc1ccc(C[N@H+](C)CCc2ccccn2)c([O-])c1 ZINC001249172657 1141856707 /nfs/dbraw/zinc/85/67/07/1141856707.db2.gz OWKQNXFKRYIKBA-UHFFFAOYSA-N 0 3 314.385 2.177 20 10 DECDHN COC(=O)Cc1ccc(C[N@@H+](C)CCc2ccccn2)c([O-])c1 ZINC001249172657 1141856713 /nfs/dbraw/zinc/85/67/13/1141856713.db2.gz OWKQNXFKRYIKBA-UHFFFAOYSA-N 0 3 314.385 2.177 20 10 DECDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CCC[C@H](C(N)=O)C3)ccc2O1 ZINC001249223992 1141862260 /nfs/dbraw/zinc/86/22/60/1141862260.db2.gz QFSWHUKJFQMOGF-ZDUSSCGKSA-N 0 3 316.401 2.274 20 10 DECDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CCC[C@H](C(N)=O)C3)ccc2O1 ZINC001249223992 1141862264 /nfs/dbraw/zinc/86/22/64/1141862264.db2.gz QFSWHUKJFQMOGF-ZDUSSCGKSA-N 0 3 316.401 2.274 20 10 DECDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C)c([O-])c1 ZINC001249223667 1141862293 /nfs/dbraw/zinc/86/22/93/1141862293.db2.gz LTVVJARLGPUKPJ-SWLSCSKDSA-N 0 3 307.390 2.107 20 10 DECDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)c([O-])c1 ZINC001249223667 1141862294 /nfs/dbraw/zinc/86/22/94/1141862294.db2.gz LTVVJARLGPUKPJ-SWLSCSKDSA-N 0 3 307.390 2.107 20 10 DECDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CC[C@@H](F)[C@@H](O)C3)ccc2O1 ZINC001249223267 1141862409 /nfs/dbraw/zinc/86/24/09/1141862409.db2.gz CZIVYINFBSSIJG-KGLIPLIRSA-N 0 3 307.365 2.481 20 10 DECDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CC[C@@H](F)[C@@H](O)C3)ccc2O1 ZINC001249223267 1141862410 /nfs/dbraw/zinc/86/24/10/1141862410.db2.gz CZIVYINFBSSIJG-KGLIPLIRSA-N 0 3 307.365 2.481 20 10 DECDHN CC1(C)C=Cc2c(O)c(CN3CC[C@@H](F)[C@@H](O)C3)ccc2O1 ZINC001249223267 1141862411 /nfs/dbraw/zinc/86/24/11/1141862411.db2.gz CZIVYINFBSSIJG-KGLIPLIRSA-N 0 3 307.365 2.481 20 10 DECDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)COc1cccc(F)c1 ZINC001250808581 1142322433 /nfs/dbraw/zinc/32/24/33/1142322433.db2.gz KPHUGOXQPULWIO-HNNXBMFYSA-N 0 3 305.349 2.403 20 10 DECDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)COc1cccc(F)c1 ZINC001250808581 1142322442 /nfs/dbraw/zinc/32/24/42/1142322442.db2.gz KPHUGOXQPULWIO-HNNXBMFYSA-N 0 3 305.349 2.403 20 10 DECDHN Cn1ccc(CNCc2ccc(N3CCN(C)CC3)c(F)c2)c1 ZINC001339892859 1143164999 /nfs/dbraw/zinc/16/49/99/1143164999.db2.gz QORKUEODFYJJIL-UHFFFAOYSA-N 0 3 316.424 2.206 20 10 DECDHN O=C(N1CCC([NH2+]Cc2ccccc2[O-])CC1)C(F)(F)F ZINC001255969440 1143817758 /nfs/dbraw/zinc/81/77/58/1143817758.db2.gz AXXCEOLPKSVITB-UHFFFAOYSA-N 0 3 302.296 2.035 20 10 DECDHN Cc1cc(N(C)C)ccc1CN[C@H](C)C(=O)NCC(F)(F)F ZINC001325580265 1147954854 /nfs/dbraw/zinc/95/48/54/1147954854.db2.gz AKTAPYSZRYDMPN-LLVKDONJSA-N 0 3 317.355 2.218 20 10 DECDHN C[C@H]1CC[C@H](NCc2ccc(N3CCCC3)cc2)CS1(=O)=O ZINC001327211169 1148348967 /nfs/dbraw/zinc/34/89/67/1148348967.db2.gz XEGZQRHIXMZNCL-HOCLYGCPSA-N 0 3 322.474 2.342 20 10 DECDHN CN1CCC(O)(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000077450394 355205641 /nfs/dbraw/zinc/20/56/41/355205641.db2.gz FYCFGFLYMIFKRK-UHFFFAOYSA-N 0 3 319.232 2.245 20 10 DECDHN CCN1CCCC[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000104341876 194000313 /nfs/dbraw/zinc/00/03/13/194000313.db2.gz FAUSVCSEMISJOT-MRXNPFEDSA-N 0 3 307.413 2.382 20 10 DECDHN COc1ccc([O-])c(C[NH2+]C[C@@H](O)CCc2ccccc2)c1 ZINC000273167194 130095374 /nfs/dbraw/zinc/09/53/74/130095374.db2.gz LPFBFXRXKDKMSK-INIZCTEOSA-N 0 3 301.386 2.484 20 10 DECDHN CN(C)c1ccc2c(c1)OCCN2C(=O)CC1CCN(C)CC1 ZINC000273192230 130096273 /nfs/dbraw/zinc/09/62/73/130096273.db2.gz IHQBRSHDZDEZEO-UHFFFAOYSA-N 0 3 317.433 2.210 20 10 DECDHN CCN1CC[C@H](C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])C1 ZINC000273303915 130104676 /nfs/dbraw/zinc/10/46/76/130104676.db2.gz CGPJAMAWEINYSQ-QWHCGFSZSA-N 0 3 306.406 2.171 20 10 DECDHN C[C@@H](NCc1ccc(N(C)C)c(F)c1)C(C)(C)n1cncn1 ZINC000284195610 131057595 /nfs/dbraw/zinc/05/75/95/131057595.db2.gz RWMXEBXUTFTUMG-GFCCVEGCSA-N 0 3 305.401 2.397 20 10 DECDHN CCCOc1ccc(C[N@@H+]2C[C@@H](OC)C[C@H]2COC)c([O-])c1 ZINC000284611254 131096752 /nfs/dbraw/zinc/09/67/52/131096752.db2.gz QTCKQIUOTFQKDQ-HOCLYGCPSA-N 0 3 309.406 2.417 20 10 DECDHN CCCOc1ccc(C[N@H+]2C[C@@H](OC)C[C@H]2COC)c([O-])c1 ZINC000284611254 131096754 /nfs/dbraw/zinc/09/67/54/131096754.db2.gz QTCKQIUOTFQKDQ-HOCLYGCPSA-N 0 3 309.406 2.417 20 10 DECDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H](C)C[NH3+] ZINC000285733288 131197223 /nfs/dbraw/zinc/19/72/23/131197223.db2.gz GTNPSUGMFACXSE-VIFPVBQESA-N 0 3 315.211 2.098 20 10 DECDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCS(=O)(=O)C2)c([O-])c1C ZINC000286924690 131255544 /nfs/dbraw/zinc/25/55/44/131255544.db2.gz FVNLKZURFWSVIA-ZIAGYGMSSA-N 0 3 311.447 2.484 20 10 DECDHN CCN(CC)c1ccc(CNC(=O)[C@@H](C)NC2CC2)cc1F ZINC000295222175 131890777 /nfs/dbraw/zinc/89/07/77/131890777.db2.gz RBJMWKCLBWCTLE-GFCCVEGCSA-N 0 3 307.413 2.429 20 10 DECDHN C[C@@](O)(C[NH2+]Cc1cc2c(cc1[O-])OCO2)c1cccs1 ZINC000153022471 402122317 /nfs/dbraw/zinc/12/23/17/402122317.db2.gz FLMXFKOJUHUORS-OAHLLOKOSA-N 0 3 307.371 2.180 20 10 DECDHN CCCOc1ccc(CN2CCN(C[C@@H](O)CC)CC2)c(O)c1 ZINC000123578690 402135589 /nfs/dbraw/zinc/13/55/89/402135589.db2.gz YCMPXIJXWZHLJK-INIZCTEOSA-N 0 3 322.449 2.070 20 10 DECDHN C[C@](O)(C[NH2+]Cc1cc2c(cc1[O-])OCO2)c1cccs1 ZINC000153022592 402122607 /nfs/dbraw/zinc/12/26/07/402122607.db2.gz FLMXFKOJUHUORS-HNNXBMFYSA-N 0 3 307.371 2.180 20 10 DECDHN CC[C@H]([NH2+]CCCN1CCN(CC)CC1)c1ccccc1[O-] ZINC000155122894 402246116 /nfs/dbraw/zinc/24/61/16/402246116.db2.gz STHUUZNJSQQXRW-KRWDZBQOSA-N 0 3 305.466 2.461 20 10 DECDHN CC(=O)c1cc(F)cc(C[NH+]2CCC3(CC2)OCCO3)c1[O-] ZINC000177248561 402385390 /nfs/dbraw/zinc/38/53/90/402385390.db2.gz MIUVISCAJJLVIL-UHFFFAOYSA-N 0 3 309.337 2.073 20 10 DECDHN COc1ccc(O)c(CNCc2ccc(S(C)(=O)=O)cc2)c1 ZINC000237205236 402399224 /nfs/dbraw/zinc/39/92/24/402399224.db2.gz UQPQQRAFDBKOSX-UHFFFAOYSA-N 0 3 321.398 2.094 20 10 DECDHN CC[C@@H]([NH2+][C@@H](C)CCN1CCN(C)CC1)c1ccccc1[O-] ZINC000186427056 402430723 /nfs/dbraw/zinc/43/07/23/402430723.db2.gz IJJDXNJSDDRFRM-DOTOQJQBSA-N 0 3 305.466 2.459 20 10 DECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCC(=O)N2CCCCC2)c1 ZINC000182345504 402682454 /nfs/dbraw/zinc/68/24/54/402682454.db2.gz WIPKYFLUUGJZMC-CYBMUJFWSA-N 0 3 306.406 2.454 20 10 DECDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]2CN2CCOCC2)cc1C ZINC000173375637 402694990 /nfs/dbraw/zinc/69/49/90/402694990.db2.gz OLCNAKWXPFMHAT-KRWDZBQOSA-N 0 3 304.434 2.306 20 10 DECDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H]2CN2CCOCC2)cc1C ZINC000173375637 402694993 /nfs/dbraw/zinc/69/49/93/402694993.db2.gz OLCNAKWXPFMHAT-KRWDZBQOSA-N 0 3 304.434 2.306 20 10 DECDHN COc1ccc(C(=O)NCC[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000183594846 402779989 /nfs/dbraw/zinc/77/99/89/402779989.db2.gz BEDFQLAUMZUITE-CYBMUJFWSA-N 0 3 314.385 2.481 20 10 DECDHN CN1CCCc2cc(CNC(=O)[C@@H]3CCCN3C3CC3)ccc21 ZINC000278780622 402870415 /nfs/dbraw/zinc/87/04/15/402870415.db2.gz VDBFQJYTDGVJGM-SFHVURJKSA-N 0 3 313.445 2.312 20 10 DECDHN CCCOc1ccc(C[N@@H+]2CC[C@@](C)(C(=O)NC)C2)c([O-])c1 ZINC000281249261 403061639 /nfs/dbraw/zinc/06/16/39/403061639.db2.gz XEGYTHOEEUIXAT-QGZVFWFLSA-N 0 3 306.406 2.139 20 10 DECDHN CCCOc1ccc(C[N@H+]2CC[C@@](C)(C(=O)NC)C2)c([O-])c1 ZINC000281249261 403061641 /nfs/dbraw/zinc/06/16/41/403061641.db2.gz XEGYTHOEEUIXAT-QGZVFWFLSA-N 0 3 306.406 2.139 20 10 DECDHN OC[C@@H](C[C@H](O)c1ccccc1)NCc1ccc2c(c1)CCO2 ZINC000269978828 403178177 /nfs/dbraw/zinc/17/81/77/403178177.db2.gz ZTSCGYTYXWJQFK-MSOLQXFVSA-N 0 3 313.397 2.196 20 10 DECDHN COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000271162603 403271556 /nfs/dbraw/zinc/27/15/56/403271556.db2.gz YLDDEVZNFIPEGT-LSDHHAIUSA-N 0 3 320.433 2.064 20 10 DECDHN COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000271162603 403271558 /nfs/dbraw/zinc/27/15/58/403271558.db2.gz YLDDEVZNFIPEGT-LSDHHAIUSA-N 0 3 320.433 2.064 20 10 DECDHN CCC[C@H](C)C(=O)NCC[NH2+]Cc1cccc(OCC)c1[O-] ZINC000292665647 403374323 /nfs/dbraw/zinc/37/43/23/403374323.db2.gz LZELUSFSKGTZIT-ZDUSSCGKSA-N 0 3 308.422 2.433 20 10 DECDHN Cc1cc(C)c([C@@H](C)[NH2+]CCCN2CCN(C)CC2)c([O-])c1 ZINC000293710483 403544225 /nfs/dbraw/zinc/54/42/25/403544225.db2.gz LXAOKCUYPRIQGK-MRXNPFEDSA-N 0 3 305.466 2.297 20 10 DECDHN Cc1cc(C)c([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)c([O-])c1 ZINC000293882827 403590422 /nfs/dbraw/zinc/59/04/22/403590422.db2.gz VMBCMOGSNFVFJJ-JTQLQIEISA-N 0 3 304.312 2.338 20 10 DECDHN Cc1cc(C)c([C@H](C)NCC(=O)NCC(F)(F)F)c(O)c1 ZINC000293882827 403590426 /nfs/dbraw/zinc/59/04/26/403590426.db2.gz VMBCMOGSNFVFJJ-JTQLQIEISA-N 0 3 304.312 2.338 20 10 DECDHN COc1cc(O)c(CN2CC[C@H](n3cccn3)C2)cc1OC ZINC000291019158 404371448 /nfs/dbraw/zinc/37/14/48/404371448.db2.gz DGTKTKWEGPXDRG-ZDUSSCGKSA-N 0 3 303.362 2.053 20 10 DECDHN C[C@@H]([NH2+]C[C@H](C)CN1CCN(C)CC1)c1cc(F)ccc1[O-] ZINC000185344723 287034829 /nfs/dbraw/zinc/03/48/29/287034829.db2.gz GTAOTNRQNOZVBM-UONOGXRCSA-N 0 3 309.429 2.065 20 10 DECDHN C[NH+](C)C[C@@](C)(O)CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000228726543 225208920 /nfs/dbraw/zinc/20/89/20/225208920.db2.gz OKADLWPXICXZBH-ZDUSSCGKSA-N 0 3 307.221 2.101 20 10 DECDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000378418185 227213841 /nfs/dbraw/zinc/21/38/41/227213841.db2.gz COKIULPRUVMTGB-YOEHRIQHSA-N 0 3 307.390 2.219 20 10 DECDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CCN(C)CC2)c([O-])c1 ZINC000185344290 278842746 /nfs/dbraw/zinc/84/27/46/278842746.db2.gz JMIOIRSELWLWBP-HZPDHXFCSA-N 0 3 305.466 2.235 20 10 DECDHN C[C@H](CN1CCOCC1)N(C)Cc1ccc(N(C)C)c(F)c1 ZINC000279465152 279316478 /nfs/dbraw/zinc/31/64/78/279316478.db2.gz RNNAOVDLIMVRQC-CQSZACIVSA-N 0 3 309.429 2.044 20 10 DECDHN C[C@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185391877 333207949 /nfs/dbraw/zinc/20/79/49/333207949.db2.gz XSRBGIJAIMQYCE-OLZOCXBDSA-N 0 3 311.857 2.332 20 10 DECDHN CN(C)c1ccc(/C=C\CN(C)CCN2CCOCC2)cc1 ZINC000835025198 649868122 /nfs/dbraw/zinc/86/81/22/649868122.db2.gz BVRQJUSEOAIDNV-PLNGDYQASA-N 0 3 303.450 2.030 20 10 DECDHN C[C@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1cc(F)ccc1[O-] ZINC000371917462 534001339 /nfs/dbraw/zinc/00/13/39/534001339.db2.gz GBXJNBZTFDMCDJ-NHYWBVRUSA-N 0 3 319.380 2.448 20 10 DECDHN CN(C)c1ccc(/C=C\CN2CCC[C@H](OCCO)C2)cc1 ZINC000835027720 649868810 /nfs/dbraw/zinc/86/88/10/649868810.db2.gz GCAXEQWWCDXJFA-AJNOYIKESA-N 0 3 304.434 2.239 20 10 DECDHN COc1cc([O-])c(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)cc1OC ZINC000181095759 522770639 /nfs/dbraw/zinc/77/06/39/522770639.db2.gz CZDVVWUNBIXOCK-OCCSQVGLSA-N 0 3 309.406 2.392 20 10 DECDHN COc1cc([O-])c(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)cc1OC ZINC000181095759 522770646 /nfs/dbraw/zinc/77/06/46/522770646.db2.gz CZDVVWUNBIXOCK-OCCSQVGLSA-N 0 3 309.406 2.392 20 10 DECDHN O=C1[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCN1CC(F)(F)F ZINC000296781363 534844302 /nfs/dbraw/zinc/84/43/02/534844302.db2.gz KTONIFSEFFBROO-WDEREUQCSA-N 0 3 314.307 2.132 20 10 DECDHN CCC[C@]1(CO)CC[N@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000377842018 528521408 /nfs/dbraw/zinc/52/14/08/528521408.db2.gz GHJSBBWITCNIJZ-KRWDZBQOSA-N 0 3 309.406 2.394 20 10 DECDHN CCC[C@]1(CO)CC[N@@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000377842018 528521410 /nfs/dbraw/zinc/52/14/10/528521410.db2.gz GHJSBBWITCNIJZ-KRWDZBQOSA-N 0 3 309.406 2.394 20 10 DECDHN CCN1CCN(C[C@H](C)C[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000297513866 535719110 /nfs/dbraw/zinc/71/91/10/535719110.db2.gz CSMJABAWMNFNHH-WBVHZDCISA-N 0 3 317.477 2.243 20 10 DECDHN C[C@@H]1C[C@@H]1N1C[C@@H](NC/C=C\c2ccc(N(C)C)cc2)CC1=O ZINC000835041459 649870432 /nfs/dbraw/zinc/87/04/32/649870432.db2.gz XNDJUZPCYUCCSO-DFOWFJPXSA-N 0 3 313.445 2.365 20 10 DECDHN CN(C)c1ccc(/C=C\CN2CCC3(CNC(=O)O3)CC2)cc1 ZINC000835045331 649870816 /nfs/dbraw/zinc/87/08/16/649870816.db2.gz KPXBWSAUUTVCOO-ARJAWSKDSA-N 0 3 315.417 2.340 20 10 DECDHN C[C@H](O)CN1CCN(C/C=C\c2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000835054845 649872712 /nfs/dbraw/zinc/87/27/12/649872712.db2.gz RTGCRKJJRAAQAU-DJAVDHGHSA-N 0 3 317.477 2.153 20 10 DECDHN C[C@@H]1COCCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001355290650 1152000373 /nfs/dbraw/zinc/00/03/73/1152000373.db2.gz XBWGIDJYQWWKEH-HNNXBMFYSA-N 0 3 321.440 2.046 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)NC2(C)CC2)N(C)C)cc1 ZINC001355381822 1152007618 /nfs/dbraw/zinc/00/76/18/1152007618.db2.gz YWQWGZYWOUZPLO-HNNXBMFYSA-N 0 3 304.438 2.207 20 10 DECDHN COc1cc(CN2CCC[C@H](N3CCCC3=O)C2)c(O)cc1C ZINC000160178070 622570773 /nfs/dbraw/zinc/57/07/73/622570773.db2.gz DIGIVHOXXMBKLF-HNNXBMFYSA-N 0 3 318.417 2.296 20 10 DECDHN CSC[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252911 623798568 /nfs/dbraw/zinc/79/85/68/623798568.db2.gz OMENPCIFLFILLW-CZUORRHYSA-N 0 3 323.506 2.471 20 10 DECDHN CCC[C@@H](O)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891253445 623799504 /nfs/dbraw/zinc/79/95/04/623799504.db2.gz SLUJFOJUBJKUCS-SJORKVTESA-N 0 3 321.465 2.023 20 10 DECDHN COc1ccc(N2CCC(Nc3ccncc3CO)CC2)cc1 ZINC000892269427 624912142 /nfs/dbraw/zinc/91/21/42/624912142.db2.gz ORMSVMLLTMIHFG-UHFFFAOYSA-N 0 3 313.401 2.085 20 10 DECDHN CCC[N@H+](Cc1cc(=O)n2nccc2[nH]1)Cc1ccccc1[O-] ZINC000066497620 625120110 /nfs/dbraw/zinc/12/01/10/625120110.db2.gz PETSROOGBIJMDM-UHFFFAOYSA-N 0 3 312.373 2.140 20 10 DECDHN CCC[N@@H+](Cc1cc(=O)n2nccc2[nH]1)Cc1ccccc1[O-] ZINC000066497620 625120113 /nfs/dbraw/zinc/12/01/13/625120113.db2.gz PETSROOGBIJMDM-UHFFFAOYSA-N 0 3 312.373 2.140 20 10 DECDHN COc1ccc(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)c([O-])c1OC ZINC000893409499 633510670 /nfs/dbraw/zinc/51/06/70/633510670.db2.gz RSPREDCOVPJCRF-OCCSQVGLSA-N 0 3 309.406 2.392 20 10 DECDHN COc1ccc(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)c([O-])c1OC ZINC000893409499 633510673 /nfs/dbraw/zinc/51/06/73/633510673.db2.gz RSPREDCOVPJCRF-OCCSQVGLSA-N 0 3 309.406 2.392 20 10 DECDHN c1cc(-c2nc(CNCc3ccc4c(c3)CCCO4)n[nH]2)ccn1 ZINC000922183901 635976820 /nfs/dbraw/zinc/97/68/20/635976820.db2.gz CEFYDFWVTFLGPO-UHFFFAOYSA-N 0 3 321.384 2.482 20 10 DECDHN c1cc(-c2nnc(C[NH2+]Cc3ccc4c(c3)CCCO4)[n-]2)ccn1 ZINC000922183901 635976824 /nfs/dbraw/zinc/97/68/24/635976824.db2.gz CEFYDFWVTFLGPO-UHFFFAOYSA-N 0 3 321.384 2.482 20 10 DECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC000922793342 636404724 /nfs/dbraw/zinc/40/47/24/636404724.db2.gz CVXGJGPYIMOXBE-LBPRGKRZSA-N 0 3 322.405 2.500 20 10 DECDHN Cc1ccnc(N)c1CNCc1ccc(N2CCOCC2)cc1 ZINC000894200518 636406614 /nfs/dbraw/zinc/40/66/14/636406614.db2.gz NGWOISVESZAJAC-UHFFFAOYSA-N 0 3 312.417 2.099 20 10 DECDHN [O-]c1cc2c(cc1C[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)OCO2 ZINC000922895176 636780623 /nfs/dbraw/zinc/78/06/23/636780623.db2.gz CUSAUWIBKRLVPO-PXAZEXFGSA-N 0 3 305.374 2.416 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)NOC2CCC2)N(C)C)cc1 ZINC000895136422 637645973 /nfs/dbraw/zinc/64/59/73/637645973.db2.gz UYZJISNAWGUFQL-INIZCTEOSA-N 0 3 320.437 2.139 20 10 DECDHN COc1cc(C)cc(CN[C@@](C)(CO)c2cccc(O)c2)c1O ZINC000895390254 637994243 /nfs/dbraw/zinc/99/42/43/637994243.db2.gz VJOSIFZYNVOLGH-SFHVURJKSA-N 0 3 317.385 2.412 20 10 DECDHN Cn1cc(C(C)(C)NCc2ccc(N3CCOCC3)cc2)cn1 ZINC000742373920 638065879 /nfs/dbraw/zinc/06/58/79/638065879.db2.gz LBBKFZFSWQTTRM-UHFFFAOYSA-N 0 3 314.433 2.282 20 10 DECDHN C[C@@]1([C@H]2CCC[N@H+](Cc3cc(F)ccc3[O-])C2)COC(=O)N1 ZINC000896394544 638500388 /nfs/dbraw/zinc/50/03/88/638500388.db2.gz FKTARYKJSGSKOJ-LRDDRELGSA-N 0 3 308.353 2.242 20 10 DECDHN C[C@@]1([C@H]2CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)COC(=O)N1 ZINC000896394544 638500392 /nfs/dbraw/zinc/50/03/92/638500392.db2.gz FKTARYKJSGSKOJ-LRDDRELGSA-N 0 3 308.353 2.242 20 10 DECDHN Cc1ccc(C[N@@H+]2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)c([O-])c1 ZINC000896398818 638502986 /nfs/dbraw/zinc/50/29/86/638502986.db2.gz WVHGPRPEXJHNAK-WMLDXEAASA-N 0 3 304.390 2.411 20 10 DECDHN Cc1ccc(C[N@H+]2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)c([O-])c1 ZINC000896398818 638502993 /nfs/dbraw/zinc/50/29/93/638502993.db2.gz WVHGPRPEXJHNAK-WMLDXEAASA-N 0 3 304.390 2.411 20 10 DECDHN C[C@H](NC[C@H]1CCCCS1(=O)=O)c1ccc(N(C)C)cc1 ZINC000753729078 639335680 /nfs/dbraw/zinc/33/56/80/639335680.db2.gz DZGFDPLCGXFFEC-XJKSGUPXSA-N 0 3 310.463 2.371 20 10 DECDHN C[C@@H]1C[C@H]([NH2+]C[C@H](O)C2CCOCC2)c2c1c(F)ccc2[O-] ZINC000756735893 639691368 /nfs/dbraw/zinc/69/13/68/639691368.db2.gz CQDYMMROQLRGNQ-DGFSRKRXSA-N 0 3 309.381 2.457 20 10 DECDHN Cc1ccc(O)c(CNCc2ccc3c(c2)CCS3(=O)=O)c1 ZINC000757694817 639870780 /nfs/dbraw/zinc/87/07/80/639870780.db2.gz YJARFFSPLAQJJJ-UHFFFAOYSA-N 0 3 317.410 2.320 20 10 DECDHN CN(C)C[C@@H]1CN(C(=O)/C=C\c2cccnc2)c2ccccc2O1 ZINC000760819615 640231882 /nfs/dbraw/zinc/23/18/82/640231882.db2.gz YJJDHXNIIDIMTJ-ZBTGYSDGSA-N 0 3 323.396 2.451 20 10 DECDHN C[C@@H]1CN(C(=O)NCCCSc2nccs2)[C@H](C)CN1 ZINC000841856595 650581416 /nfs/dbraw/zinc/58/14/16/650581416.db2.gz JZCVEAUGSSLKBE-GHMZBOCLSA-N 0 3 314.480 2.017 20 10 DECDHN COCC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CCCC1 ZINC000768445620 641081916 /nfs/dbraw/zinc/08/19/16/641081916.db2.gz RUIDBBVMFXKQBA-INIZCTEOSA-N 0 3 307.390 2.209 20 10 DECDHN COCC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CCCC1 ZINC000768445620 641081918 /nfs/dbraw/zinc/08/19/18/641081918.db2.gz RUIDBBVMFXKQBA-INIZCTEOSA-N 0 3 307.390 2.209 20 10 DECDHN CC1(C)CC[N@H+](CCNC(=O)NCc2c([O-])cccc2F)C1 ZINC000898586161 641718034 /nfs/dbraw/zinc/71/80/34/641718034.db2.gz JMSVVHACUUFBAW-UHFFFAOYSA-N 0 3 309.385 2.062 20 10 DECDHN CC1(C)CC[N@@H+](CCNC(=O)NCc2c([O-])cccc2F)C1 ZINC000898586161 641718039 /nfs/dbraw/zinc/71/80/39/641718039.db2.gz JMSVVHACUUFBAW-UHFFFAOYSA-N 0 3 309.385 2.062 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)NC/C=C/Cl)N(C)C)cc1 ZINC000899029265 641904242 /nfs/dbraw/zinc/90/42/42/641904242.db2.gz JBPVZXARSUYFAT-HYJLXUOHSA-N 0 3 324.856 2.407 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCCCO2)N(C)C)cc1 ZINC000899103635 641934993 /nfs/dbraw/zinc/93/49/93/641934993.db2.gz NRLPPIKMRMPUBF-MRXNPFEDSA-N 0 3 320.437 2.092 20 10 DECDHN C[C@H](NCC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000775833803 642103230 /nfs/dbraw/zinc/10/32/30/642103230.db2.gz MTXWUNDJHRVZDZ-ZNMIVQPWSA-N 0 3 319.449 2.039 20 10 DECDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591163 642189493 /nfs/dbraw/zinc/18/94/93/642189493.db2.gz BYQMBEXDMKASNG-INIZCTEOSA-N 0 3 302.330 2.466 20 10 DECDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591163 642189495 /nfs/dbraw/zinc/18/94/95/642189495.db2.gz BYQMBEXDMKASNG-INIZCTEOSA-N 0 3 302.330 2.466 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](OCC3CC3)C1)[C@@H](O)CO2 ZINC000777554796 642280468 /nfs/dbraw/zinc/28/04/68/642280468.db2.gz JBSGIIOYDISLBF-PBHICJAKSA-N 0 3 319.401 2.209 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](OCC3CC3)C1)[C@@H](O)CO2 ZINC000777554796 642280473 /nfs/dbraw/zinc/28/04/73/642280473.db2.gz JBSGIIOYDISLBF-PBHICJAKSA-N 0 3 319.401 2.209 20 10 DECDHN O=C(NCC(F)(F)F)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000778999881 642453269 /nfs/dbraw/zinc/45/32/69/642453269.db2.gz NITFXHPUJDHCDT-UHFFFAOYSA-N 0 3 316.323 2.283 20 10 DECDHN COC(=O)[C@H]1[C@H](CN(C)Cc2ccc(N(C)C)cc2)C1(F)F ZINC000787769364 643540162 /nfs/dbraw/zinc/54/01/62/643540162.db2.gz DWEVJHFILMCEHT-UONOGXRCSA-N 0 3 312.360 2.239 20 10 DECDHN CCOc1ccc(C[NH2+]Cc2ccc(NC(C)=O)nc2)c([O-])c1 ZINC000788524944 643620358 /nfs/dbraw/zinc/62/03/58/643620358.db2.gz ZWYJMODRMNQGEX-UHFFFAOYSA-N 0 3 315.373 2.434 20 10 DECDHN COc1cc(CN2C[C@@H](C)OC3(CCOCC3)C2)c(O)cc1C ZINC000790383706 643846275 /nfs/dbraw/zinc/84/62/75/643846275.db2.gz FQABSNNNGOFZCR-CQSZACIVSA-N 0 3 321.417 2.479 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@](C)(C(N)=O)C3)c2c1 ZINC000794704680 644463228 /nfs/dbraw/zinc/46/32/28/644463228.db2.gz LYYHEKQZTLAWEI-SFHVURJKSA-N 0 3 314.385 2.251 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@](C)(C(N)=O)C3)c2c1 ZINC000794704680 644463231 /nfs/dbraw/zinc/46/32/31/644463231.db2.gz LYYHEKQZTLAWEI-SFHVURJKSA-N 0 3 314.385 2.251 20 10 DECDHN CC(=O)c1cc(F)cc(CN(C2CC2)C2CC[NH2+]CC2)c1[O-] ZINC000843345398 650953357 /nfs/dbraw/zinc/95/33/57/650953357.db2.gz HKOIETVMBXTJPP-UHFFFAOYSA-N 0 3 306.381 2.450 20 10 DECDHN CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000843432815 650974592 /nfs/dbraw/zinc/97/45/92/650974592.db2.gz QSPPSNQOAYIZLW-ZDUSSCGKSA-N 0 3 320.286 2.032 20 10 DECDHN CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000843432815 650974595 /nfs/dbraw/zinc/97/45/95/650974595.db2.gz QSPPSNQOAYIZLW-ZDUSSCGKSA-N 0 3 320.286 2.032 20 10 DECDHN CCOc1ccc(C[N@@H+]2CC[C@H](Nc3ncccn3)C2)c([O-])c1 ZINC000843414939 650969837 /nfs/dbraw/zinc/96/98/37/650969837.db2.gz HCZFIIGMWDXHJK-AWEZNQCLSA-N 0 3 314.389 2.267 20 10 DECDHN CCOc1ccc(C[N@H+]2CC[C@H](Nc3ncccn3)C2)c([O-])c1 ZINC000843414939 650969839 /nfs/dbraw/zinc/96/98/39/650969839.db2.gz HCZFIIGMWDXHJK-AWEZNQCLSA-N 0 3 314.389 2.267 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](OCCOC)C2)c([O-])c1 ZINC000802653030 645539951 /nfs/dbraw/zinc/53/99/51/645539951.db2.gz NKWMCRNUPXUHCV-MRXNPFEDSA-N 0 3 309.406 2.418 20 10 DECDHN CCOc1ccc(C[N@H+]2CCC[C@@H](OCCOC)C2)c([O-])c1 ZINC000802653030 645539954 /nfs/dbraw/zinc/53/99/54/645539954.db2.gz NKWMCRNUPXUHCV-MRXNPFEDSA-N 0 3 309.406 2.418 20 10 DECDHN CO[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1(C)C ZINC000840122196 646003027 /nfs/dbraw/zinc/00/30/27/646003027.db2.gz BECQYQOBXBLXQX-GOEBONIOSA-N 0 3 307.390 2.065 20 10 DECDHN CO[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1(C)C ZINC000840122196 646003028 /nfs/dbraw/zinc/00/30/28/646003028.db2.gz BECQYQOBXBLXQX-GOEBONIOSA-N 0 3 307.390 2.065 20 10 DECDHN COc1ccc(CNCc2cnc(C3OCCO3)s2)c(O)c1 ZINC000809658268 646260060 /nfs/dbraw/zinc/26/00/60/646260060.db2.gz JTUBIUOAVQALEY-UHFFFAOYSA-N 0 3 322.386 2.193 20 10 DECDHN CC(C)(C)OC(=O)N1CCOC[C@H]1C[NH2+]Cc1ccccc1[O-] ZINC000227702091 646605596 /nfs/dbraw/zinc/60/55/96/646605596.db2.gz JXLAIDPDBFMCIW-CQSZACIVSA-N 0 3 322.405 2.118 20 10 DECDHN COC[C@@](C)(CC(=O)OC)NCc1ccc(N(C)C)c(C)c1 ZINC000815072066 646963374 /nfs/dbraw/zinc/96/33/74/646963374.db2.gz CSHFYSDIRGLFSX-QGZVFWFLSA-N 0 3 308.422 2.119 20 10 DECDHN COCCN1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816483468 647140054 /nfs/dbraw/zinc/14/00/54/647140054.db2.gz TUWQUWZCBRJXDI-UHFFFAOYSA-N 0 3 300.402 2.309 20 10 DECDHN C[C@@H]1CC[C@@H](O)CN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000817414453 647289481 /nfs/dbraw/zinc/28/94/81/647289481.db2.gz KWJHPDMYXMEPMO-UKRRQHHQSA-N 0 3 308.397 2.008 20 10 DECDHN CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000917899654 648039086 /nfs/dbraw/zinc/03/90/86/648039086.db2.gz WIBJFGZMXBXQMD-LBPRGKRZSA-N 0 3 309.385 2.205 20 10 DECDHN CC[N@H+]1CCCC[C@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000917899654 648039087 /nfs/dbraw/zinc/03/90/87/648039087.db2.gz WIBJFGZMXBXQMD-LBPRGKRZSA-N 0 3 309.385 2.205 20 10 DECDHN CCOc1ccc(O)c(CN2CCN(C(C)(C)COC)CC2)c1 ZINC000822497655 648219335 /nfs/dbraw/zinc/21/93/35/648219335.db2.gz IOKSOXJAYQKPIR-UHFFFAOYSA-N 0 3 322.449 2.334 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCOC[C@H]2OC)c1[O-] ZINC000824710539 648640118 /nfs/dbraw/zinc/64/01/18/648640118.db2.gz ZWPPAPAATDDXBS-IINYFYTJSA-N 0 3 315.797 2.195 20 10 DECDHN Cc1cc(Br)cc(C[NH2+]C2([C@H](C)O)CC2)c1[O-] ZINC000827586266 649054015 /nfs/dbraw/zinc/05/40/15/649054015.db2.gz VWMAYAQDOLWHCP-VIFPVBQESA-N 0 3 300.196 2.466 20 10 DECDHN CCN(CC)c1ccc(CNC(=O)C(N)C(F)(F)F)cc1F ZINC000829039103 649263948 /nfs/dbraw/zinc/26/39/48/649263948.db2.gz UTJLOFVEAZNGDD-LBPRGKRZSA-N 0 3 321.318 2.178 20 10 DECDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC000848226680 651445293 /nfs/dbraw/zinc/44/52/93/651445293.db2.gz URTVIWWLCWPDFQ-GDBMZVCRSA-N 0 3 317.477 2.450 20 10 DECDHN CCC(C)(C)N1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000848301834 651450669 /nfs/dbraw/zinc/45/06/69/651450669.db2.gz MMVPPRYCJAOHDR-SOFGYWHQSA-N 0 3 318.417 2.444 20 10 DECDHN CCOP(=O)(OCC)[C@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000851840876 652256102 /nfs/dbraw/zinc/25/61/02/652256102.db2.gz KMWCWLOQWLVMOB-AWEZNQCLSA-N 0 3 317.322 2.409 20 10 DECDHN CCOP(=O)(OCC)[C@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000851840876 652256106 /nfs/dbraw/zinc/25/61/06/652256106.db2.gz KMWCWLOQWLVMOB-AWEZNQCLSA-N 0 3 317.322 2.409 20 10 DECDHN FC(F)(F)Oc1ccc2c(c1)CCCN2C[C@H]1CNCCO1 ZINC000852745652 652447998 /nfs/dbraw/zinc/44/79/98/652447998.db2.gz ZCBLDLZTIFBYJF-CYBMUJFWSA-N 0 3 316.323 2.326 20 10 DECDHN Cc1cc(C(=O)N2CC[C@@H](F)[C@H](N)C2)c(C)n1-c1ccccn1 ZINC000852869373 652473133 /nfs/dbraw/zinc/47/31/33/652473133.db2.gz DODXBJSZIHOSSC-HUUCEWRRSA-N 0 3 316.380 2.000 20 10 DECDHN COc1ccc(N2CCC(NC(=O)[C@@H](N)C(C)(C)C)CC2)cc1 ZINC000119051983 684076519 /nfs/dbraw/zinc/07/65/19/684076519.db2.gz PXGMLVPIQSFZDL-MRXNPFEDSA-N 0 3 319.449 2.154 20 10 DECDHN C[C@H]1CCC[C@@](CNC(=O)c2cccc(O)c2[O-])([NH+](C)C)C1 ZINC000192989220 684461895 /nfs/dbraw/zinc/46/18/95/684461895.db2.gz LXAVDTMTWKSGDY-YVEFUNNKSA-N 0 3 306.406 2.338 20 10 DECDHN C[N@H+](CCCNC(=O)c1cccc(O)c1[O-])C1CCCCC1 ZINC000192975117 684462283 /nfs/dbraw/zinc/46/22/83/684462283.db2.gz XNMJOBAAVGOCPO-UHFFFAOYSA-N 0 3 306.406 2.482 20 10 DECDHN C[N@@H+](CCCNC(=O)c1cccc(O)c1[O-])C1CCCCC1 ZINC000192975117 684462284 /nfs/dbraw/zinc/46/22/84/684462284.db2.gz XNMJOBAAVGOCPO-UHFFFAOYSA-N 0 3 306.406 2.482 20 10 DECDHN CCCN1CCC[C@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000862028363 686226186 /nfs/dbraw/zinc/22/61/86/686226186.db2.gz WQYWRCZCKBYREO-HNNXBMFYSA-N 0 3 313.401 2.431 20 10 DECDHN Cc1nnc(CC[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)o1 ZINC000929971109 694060932 /nfs/dbraw/zinc/06/09/32/694060932.db2.gz MAJYNUFPQKFVLE-HNNXBMFYSA-N 0 3 317.389 2.307 20 10 DECDHN Cc1nnc(CC[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)o1 ZINC000929971109 694060935 /nfs/dbraw/zinc/06/09/35/694060935.db2.gz MAJYNUFPQKFVLE-HNNXBMFYSA-N 0 3 317.389 2.307 20 10 DECDHN COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1ccccc1[O-] ZINC000865716275 687311370 /nfs/dbraw/zinc/31/13/70/687311370.db2.gz PHFKWUGTQBNHFR-SFHVURJKSA-N 0 3 301.386 2.484 20 10 DECDHN C[C@@H]1C[C@@H]([NH2+]C2CN(c3ccncn3)C2)c2c1c(F)ccc2[O-] ZINC000866496759 687591911 /nfs/dbraw/zinc/59/19/11/687591911.db2.gz WYTMQFNTMFPASX-ZWNOBZJWSA-N 0 3 314.364 2.348 20 10 DECDHN CC(=O)C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000930626993 694205439 /nfs/dbraw/zinc/20/54/39/694205439.db2.gz OYAVUUZZLWBSNV-UHFFFAOYSA-N 0 3 302.418 2.324 20 10 DECDHN CC(C)[NH+]1CCC(CCNC(=O)c2cccc(O)c2[O-])CC1 ZINC000870954920 688694239 /nfs/dbraw/zinc/69/42/39/688694239.db2.gz PWHMUHAFFIQXIF-UHFFFAOYSA-N 0 3 306.406 2.338 20 10 DECDHN CN(C)c1ccc(CNC(=O)N2CC[C@H]3[C@H]2CCCN3C)cc1 ZINC000871763490 688862208 /nfs/dbraw/zinc/86/22/08/688862208.db2.gz JAZKESOMELSURJ-DLBZAZTESA-N 0 3 316.449 2.131 20 10 DECDHN C[C@@H]1C[C@H](NC(=O)N2Cc3cccc(O)c3C2)CN1C1CC1 ZINC000875359247 689612784 /nfs/dbraw/zinc/61/27/84/689612784.db2.gz NNKHLADVILANOJ-YPMHNXCESA-N 0 3 301.390 2.043 20 10 DECDHN COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876632138 689882922 /nfs/dbraw/zinc/88/29/22/689882922.db2.gz HOEHKWYUXSETPH-HOCLYGCPSA-N 0 3 320.433 2.064 20 10 DECDHN COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876632138 689882927 /nfs/dbraw/zinc/88/29/27/689882927.db2.gz HOEHKWYUXSETPH-HOCLYGCPSA-N 0 3 320.433 2.064 20 10 DECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000876809743 689943711 /nfs/dbraw/zinc/94/37/11/689943711.db2.gz IVLAQQQGFQAYMX-PBHICJAKSA-N 0 3 315.417 2.380 20 10 DECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000876809743 689943714 /nfs/dbraw/zinc/94/37/14/689943714.db2.gz IVLAQQQGFQAYMX-PBHICJAKSA-N 0 3 315.417 2.380 20 10 DECDHN Cc1ccc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c([O-])c1 ZINC000877500818 690132572 /nfs/dbraw/zinc/13/25/72/690132572.db2.gz DEKJADXYPILPTE-INIZCTEOSA-N 0 3 304.434 2.245 20 10 DECDHN Cc1ccc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c([O-])c1 ZINC000877500818 690132573 /nfs/dbraw/zinc/13/25/73/690132573.db2.gz DEKJADXYPILPTE-INIZCTEOSA-N 0 3 304.434 2.245 20 10 DECDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000877571017 690155399 /nfs/dbraw/zinc/15/53/99/690155399.db2.gz QHRDTSDQMWBQFA-SUMWQHHRSA-N 0 3 301.390 2.444 20 10 DECDHN COCC1(C2CC2)CN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000877686754 690191086 /nfs/dbraw/zinc/19/10/86/690191086.db2.gz WFWQGNGGSAAMKX-UHFFFAOYSA-N 0 3 307.390 2.268 20 10 DECDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000877765079 690218675 /nfs/dbraw/zinc/21/86/75/690218675.db2.gz XGZJNRIKQIVNPD-HDICACEKSA-N 0 3 313.397 2.092 20 10 DECDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000877765079 690218679 /nfs/dbraw/zinc/21/86/79/690218679.db2.gz XGZJNRIKQIVNPD-HDICACEKSA-N 0 3 313.397 2.092 20 10 DECDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccccn2)c1 ZINC000878360309 690388091 /nfs/dbraw/zinc/38/80/91/690388091.db2.gz KCEJYOXQFOYRAM-LLVKDONJSA-N 0 3 301.346 2.085 20 10 DECDHN COc1ccc(N2CCN([C@@H]3CC[C@H](OC)C3)CC2)c(OC)c1 ZINC000879461721 690646392 /nfs/dbraw/zinc/64/63/92/690646392.db2.gz HMUBTYKKHOQDIY-CABCVRRESA-N 0 3 320.433 2.393 20 10 DECDHN CCN(CC)c1ccc(CN[C@H]2C[C@H](S(C)(=O)=O)C2)cc1 ZINC000883378403 691493653 /nfs/dbraw/zinc/49/36/53/691493653.db2.gz KZAKVIKTPLJZFO-KOMQPUFPSA-N 0 3 310.463 2.198 20 10 DECDHN CN(C)c1cc(F)c(CN[C@@H](CO)C[C@H]2CCCO2)cc1F ZINC000886220777 692028130 /nfs/dbraw/zinc/02/81/30/692028130.db2.gz MSNWAYWCDSBQHJ-CHWSQXEVSA-N 0 3 314.376 2.050 20 10 DECDHN C[C@H](CCN1CCN(C)CC1)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886595063 692123562 /nfs/dbraw/zinc/12/35/62/692123562.db2.gz ZVXWCICMPBUSMH-ZIAGYGMSSA-N 0 3 309.429 2.208 20 10 DECDHN NCc1nc2c(s1)CCN([C@@H]1CCc3cccc(O)c31)C2 ZINC000925749155 693335246 /nfs/dbraw/zinc/33/52/46/693335246.db2.gz HLDOMQJXGNFHKQ-GFCCVEGCSA-N 0 3 301.415 2.353 20 10 DECDHN C[C@@H]([NH2+][C@@H]1CNCC2(CCOCC2)C1)c1ccc(F)cc1[O-] ZINC000925793065 693343149 /nfs/dbraw/zinc/34/31/49/693343149.db2.gz QLUJRJQJWASHKI-OCCSQVGLSA-N 0 3 308.397 2.341 20 10 DECDHN C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1cn(C)cn1 ZINC000926853272 693518586 /nfs/dbraw/zinc/51/85/86/693518586.db2.gz DJBOUKHQQQXULL-HNNXBMFYSA-N 0 3 313.449 2.023 20 10 DECDHN COc1ccc(CNC[C@H](OC)C(F)(F)F)c(O)c1OC ZINC001334172704 1150218154 /nfs/dbraw/zinc/21/81/54/1150218154.db2.gz QIUVWDZVXDNOSN-JTQLQIEISA-N 0 3 309.284 2.076 20 10 DECDHN C[C@H]1COCCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001355290651 1152000649 /nfs/dbraw/zinc/00/06/49/1152000649.db2.gz XBWGIDJYQWWKEH-OAHLLOKOSA-N 0 3 321.440 2.046 20 10 DECDHN Cc1cc(C)c(C[NH2+]C2CCC(S(C)(=O)=O)CC2)c([O-])c1 ZINC001169866162 785402878 /nfs/dbraw/zinc/40/28/78/785402878.db2.gz XHDDYRNUGDTDLO-UHFFFAOYSA-N 0 3 311.447 2.454 20 10 DECDHN CC(C)N1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009671187 785502440 /nfs/dbraw/zinc/50/24/40/785502440.db2.gz IBUFLKOEEUCUMR-AWEZNQCLSA-N 0 3 317.393 2.452 20 10 DECDHN COc1cc(C)c(CN(C)Cc2cccc(C(N)=O)c2)c(O)c1 ZINC001180175397 795247014 /nfs/dbraw/zinc/24/70/14/795247014.db2.gz TVXYWTOJXSPHSK-UHFFFAOYSA-N 0 3 314.385 2.440 20 10 DECDHN Cc1cc([O-])c(CN2C[C@@H]([NH3+])C[C@H](F)C2)cc1Br ZINC001206444138 795426930 /nfs/dbraw/zinc/42/69/30/795426930.db2.gz DXVFEBACNONYEC-QWRGUYRKSA-N 0 3 317.202 2.334 20 10 DECDHN COc1cc(C)nc(O[C@@H]2CC[N@H+](Cc3ccccc3[O-])C2)n1 ZINC001203563249 795844955 /nfs/dbraw/zinc/84/49/55/795844955.db2.gz XCHWFFIHLPJLJC-CQSZACIVSA-N 0 3 315.373 2.153 20 10 DECDHN COc1cc(C)nc(O[C@@H]2CC[N@@H+](Cc3ccccc3[O-])C2)n1 ZINC001203563249 795844963 /nfs/dbraw/zinc/84/49/63/795844963.db2.gz XCHWFFIHLPJLJC-CQSZACIVSA-N 0 3 315.373 2.153 20 10 DECDHN Cc1c(CN2CCN(CC(C)(C)O)CC2)c2ccccc2n1C ZINC001138260547 796189493 /nfs/dbraw/zinc/18/94/93/796189493.db2.gz JQVOCURDNGNXBB-UHFFFAOYSA-N 0 3 315.461 2.375 20 10 DECDHN CN(C)C(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001140054435 796470711 /nfs/dbraw/zinc/47/07/11/796470711.db2.gz QERFRRNOIKLJFE-AWEZNQCLSA-N 0 3 306.381 2.222 20 10 DECDHN CCN1CC2(CC1=O)CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001140060045 796472106 /nfs/dbraw/zinc/47/21/06/796472106.db2.gz IELLCGKTVVFHJG-UHFFFAOYSA-N 0 3 306.381 2.366 20 10 DECDHN COC[C@H]1CN(Cc2c(C)ccc(C)c2O)Cc2cn(C)nc21 ZINC001140179506 796486917 /nfs/dbraw/zinc/48/69/17/796486917.db2.gz FQLWVWRFYSFHBG-OAHLLOKOSA-N 0 3 315.417 2.488 20 10 DECDHN COc1cccc(O[C@H]2CCN(Cc3cc(O)ccc3O)C2)n1 ZINC001141162827 796643178 /nfs/dbraw/zinc/64/31/78/796643178.db2.gz GPNGTRFFOALBAN-AWEZNQCLSA-N 0 3 316.357 2.155 20 10 DECDHN CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3ccccc3[O-])C[C@H]21 ZINC001203560840 800080129 /nfs/dbraw/zinc/08/01/29/800080129.db2.gz HJDUVUSURBDXDM-ZIAGYGMSSA-N 0 3 304.390 2.443 20 10 DECDHN CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3[O-])C[C@H]21 ZINC001203560840 800080135 /nfs/dbraw/zinc/08/01/35/800080135.db2.gz HJDUVUSURBDXDM-ZIAGYGMSSA-N 0 3 304.390 2.443 20 10 DECDHN COc1cccc(CN2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)c1O ZINC001203593538 800086770 /nfs/dbraw/zinc/08/67/70/800086770.db2.gz NHFRUXHPJYZYPN-ZMSDIMECSA-N 0 3 319.401 2.027 20 10 DECDHN COc1cc(O[C@@H]2CC[N@H+](Cc3ccc(O)cc3[O-])C2)ccn1 ZINC001204281711 800200405 /nfs/dbraw/zinc/20/04/05/800200405.db2.gz HEOFWPKVAYPZBN-OAHLLOKOSA-N 0 3 316.357 2.155 20 10 DECDHN COc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(O)cc3[O-])C2)ccn1 ZINC001204281711 800200408 /nfs/dbraw/zinc/20/04/08/800200408.db2.gz HEOFWPKVAYPZBN-OAHLLOKOSA-N 0 3 316.357 2.155 20 10 DECDHN Cc1cc(=O)oc2c1ccc([O-])c2CN1CCC[C@H]([NH3+])CC1 ZINC001205101305 800296185 /nfs/dbraw/zinc/29/61/85/800296185.db2.gz CYPYVUXTZQOQIO-LBPRGKRZSA-N 0 3 302.374 2.120 20 10 DECDHN COC(=O)[C@@H]1CCCN(Cc2ccc(N(C)C)cc2OC)C1 ZINC001231849672 801737171 /nfs/dbraw/zinc/73/71/71/801737171.db2.gz WJRRVRPEIPFFBX-CQSZACIVSA-N 0 3 306.406 2.146 20 10 DECDHN Cc1cc(C)c(CN2CCN(c3nccc(C)n3)CC2)c(O)c1 ZINC001231851091 801737657 /nfs/dbraw/zinc/73/76/57/801737657.db2.gz ZTCGQDILIBFCOG-UHFFFAOYSA-N 0 3 312.417 2.430 20 10 DECDHN CN1C[C@@H]2C[C@H]1CN2Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232200639 801814622 /nfs/dbraw/zinc/81/46/22/801814622.db2.gz VUPQPBYIOZVCAY-GJZGRUSLSA-N 0 3 321.852 2.065 20 10 DECDHN CC(=O)N[C@H]1CCN(Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233768543 802204279 /nfs/dbraw/zinc/20/42/79/802204279.db2.gz TZFSZUXBBUMAKT-NSHDSACASA-N 0 3 318.295 2.001 20 10 DECDHN CCN(Cc1cccc(OC(F)(F)F)c1O)C1CN(C)C1 ZINC001233776765 802207715 /nfs/dbraw/zinc/20/77/15/802207715.db2.gz XTKWSZQQUHVWTG-UHFFFAOYSA-N 0 3 304.312 2.427 20 10 DECDHN CCO/C=C/C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001603555407 1069985873 /nfs/dbraw/zinc/98/58/73/1069985873.db2.gz PWDBKKZUDZOOAY-PCUGXKRQSA-N 0 3 305.422 2.022 20 10 DECDHN CCO/C=C\C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001603555409 1069986576 /nfs/dbraw/zinc/98/65/76/1069986576.db2.gz PWDBKKZUDZOOAY-YUQCYMQKSA-N 0 3 305.422 2.022 20 10 DECDHN CC[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)[C@H](CC)CN1 ZINC001573719940 1069080818 /nfs/dbraw/zinc/08/08/18/1069080818.db2.gz QPNCDYIMVAYJMY-HZPDHXFCSA-N 0 3 318.465 2.425 20 10 DECDHN Cc1cc([O-])c(CN2C[C@@H]3CC[C@]3([NH3+])C2)cc1Br ZINC001235995603 1079070838 /nfs/dbraw/zinc/07/08/38/1079070838.db2.gz VIXIZCGFLGZJPG-FZMZJTMJSA-N 0 3 311.223 2.386 20 10 DECDHN Cc1cc([O-])c(CN2C[C@H]3CC[C@@]3([NH3+])C2)cc1Br ZINC001235995602 1079071166 /nfs/dbraw/zinc/07/11/66/1079071166.db2.gz VIXIZCGFLGZJPG-BXUZGUMPSA-N 0 3 311.223 2.386 20 10 DECDHN CN(C)c1ccc(CN[C@H]2CC(=O)N(C(C)(C)C)C2)cc1F ZINC001650665029 1079766406 /nfs/dbraw/zinc/76/64/06/1079766406.db2.gz QPUCLGHRGFNPIO-ZDUSSCGKSA-N 0 3 307.413 2.381 20 10 DECDHN COC(=O)C[C@@]1(NCc2c(C)c3ccccc3n2C)CCOC1 ZINC001657755776 1080184954 /nfs/dbraw/zinc/18/49/54/1080184954.db2.gz DAACHPGRFIZKDV-SFHVURJKSA-N 0 3 316.401 2.299 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H](CCNC(C)=O)C2)c([O-])c1 ZINC001658257127 1080204037 /nfs/dbraw/zinc/20/40/37/1080204037.db2.gz FKHTZWYAAFMAQE-HNNXBMFYSA-N 0 3 320.433 2.447 20 10 DECDHN COc1cc(C)c(C[N@H+]2CCC[C@@H](CCNC(C)=O)C2)c([O-])c1 ZINC001658257127 1080204043 /nfs/dbraw/zinc/20/40/43/1080204043.db2.gz FKHTZWYAAFMAQE-HNNXBMFYSA-N 0 3 320.433 2.447 20 10 DECDHN COc1cc(C)c(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)c([O-])c1 ZINC001659427756 1080239464 /nfs/dbraw/zinc/23/94/64/1080239464.db2.gz SPPWRYBVEYGYJC-OAHLLOKOSA-N 0 3 321.417 2.479 20 10 DECDHN COc1cc(C)c(C[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c([O-])c1 ZINC001659762144 1080250197 /nfs/dbraw/zinc/25/01/97/1080250197.db2.gz AVPYJAUQZWVUFN-HUUCEWRRSA-N 0 3 320.433 2.004 20 10 DECDHN COc1cc(C)c(C[N@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c([O-])c1 ZINC001659762144 1080250205 /nfs/dbraw/zinc/25/02/05/1080250205.db2.gz AVPYJAUQZWVUFN-HUUCEWRRSA-N 0 3 320.433 2.004 20 10 DECDHN Cn1ccnc1[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])CCO1 ZINC001664979459 1080980866 /nfs/dbraw/zinc/98/08/66/1080980866.db2.gz WQHOJTGWKMHEEP-HIFRSBDPSA-N 0 3 305.353 2.275 20 10 DECDHN COC(=O)[C@@H]1C[N@H+](Cc2c(C)cc(OC)cc2[O-])C[C@H]1C1CC1 ZINC001665117723 1080992724 /nfs/dbraw/zinc/99/27/24/1080992724.db2.gz CTQHTVYRIUDVBE-JKSUJKDBSA-N 0 3 319.401 2.340 20 10 DECDHN COC(=O)[C@@H]1C[N@@H+](Cc2c(C)cc(OC)cc2[O-])C[C@H]1C1CC1 ZINC001665117723 1080992727 /nfs/dbraw/zinc/99/27/27/1080992727.db2.gz CTQHTVYRIUDVBE-JKSUJKDBSA-N 0 3 319.401 2.340 20 10 DECDHN Cc1cc(Br)c(O)c(CN2CC3(CCN3C)C2)c1 ZINC001276776021 1083603436 /nfs/dbraw/zinc/60/34/36/1083603436.db2.gz WSXJVSKYZXKQBX-UHFFFAOYSA-N 0 3 311.223 2.353 20 10 DECDHN Cc1cc(CN2C[C@@H]3CC[C@H](C2)[C@H]3C(N)=O)ccc1N(C)C ZINC001276928848 1083685614 /nfs/dbraw/zinc/68/56/14/1083685614.db2.gz BYMYIEASQLFLCT-SCAQPMJSSA-N 0 3 301.434 2.004 20 10 DECDHN Cc1cc(CN2CC[NH2+]CC23CC3)c([O-])cc1Br ZINC001234978724 1084256759 /nfs/dbraw/zinc/25/67/59/1084256759.db2.gz JSCQQKRSPOZHCH-UHFFFAOYSA-N 0 3 311.223 2.401 20 10 DECDHN COCCN1CCN(Cc2ccc(C(C)(C)C)cc2O)CC1 ZINC001235682216 1084498563 /nfs/dbraw/zinc/49/85/63/1084498563.db2.gz PJSKKDHOUGCZHR-UHFFFAOYSA-N 0 3 306.450 2.454 20 10 DECDHN COc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(CN(C)C)C2)c([O-])c1Cl ZINC001236810827 1138436270 /nfs/dbraw/zinc/43/62/70/1138436270.db2.gz XVBJRXZKEMPTGI-MLGOLLRUSA-N 0 3 310.825 2.438 20 10 DECDHN COc1ccc(C[N@H+]2C[C@H]3C[C@@]3(CN(C)C)C2)c([O-])c1Cl ZINC001236810827 1138436275 /nfs/dbraw/zinc/43/62/75/1138436275.db2.gz XVBJRXZKEMPTGI-MLGOLLRUSA-N 0 3 310.825 2.438 20 10 DECDHN OC[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236928131 1138458784 /nfs/dbraw/zinc/45/87/84/1138458784.db2.gz ISSGPYHUBUAHLX-CQSZACIVSA-N 0 3 324.852 2.381 20 10 DECDHN COc1cc(N(C)C)ccc1CN1CCNC[C@H]1C(F)(F)F ZINC001236981870 1138475256 /nfs/dbraw/zinc/47/52/56/1138475256.db2.gz OWVTXHYAQSREDY-AWEZNQCLSA-N 0 3 317.355 2.097 20 10 DECDHN CCOc1ccc(C[N@@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)c([O-])c1 ZINC001237049530 1138489388 /nfs/dbraw/zinc/48/93/88/1138489388.db2.gz HIJMSJJLKMRREY-YPMHNXCESA-N 0 3 319.323 2.394 20 10 DECDHN CCOc1ccc(C[N@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)c([O-])c1 ZINC001237049530 1138489396 /nfs/dbraw/zinc/48/93/96/1138489396.db2.gz HIJMSJJLKMRREY-YPMHNXCESA-N 0 3 319.323 2.394 20 10 DECDHN CCOc1ccc(CN2C[C@H](CO)[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001237049530 1138489405 /nfs/dbraw/zinc/48/94/05/1138489405.db2.gz HIJMSJJLKMRREY-YPMHNXCESA-N 0 3 319.323 2.394 20 10 DECDHN CCOc1ccc(CN2CCC[C@@H](NC(=O)C3CC3)C2)c(O)c1 ZINC001237048047 1138489671 /nfs/dbraw/zinc/48/96/71/1138489671.db2.gz ORITUYVWOSXZSE-OAHLLOKOSA-N 0 3 318.417 2.282 20 10 DECDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001237053374 1138491456 /nfs/dbraw/zinc/49/14/56/1138491456.db2.gz KSPVJWTXLCGOCL-YPMHNXCESA-N 0 3 323.286 2.238 20 10 DECDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001237053374 1138491465 /nfs/dbraw/zinc/49/14/65/1138491465.db2.gz KSPVJWTXLCGOCL-YPMHNXCESA-N 0 3 323.286 2.238 20 10 DECDHN Oc1cc(OCC(F)(F)F)ccc1CN1CC[C@@H](F)[C@@H](O)C1 ZINC001237053374 1138491472 /nfs/dbraw/zinc/49/14/72/1138491472.db2.gz KSPVJWTXLCGOCL-YPMHNXCESA-N 0 3 323.286 2.238 20 10 DECDHN COCCN1CCN(Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001237079079 1138500449 /nfs/dbraw/zinc/50/04/49/1138500449.db2.gz GYDAWUONFVTKKM-UHFFFAOYSA-N 0 3 319.232 2.463 20 10 DECDHN C[C@@H]1CCCCN1Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237204015 1138531270 /nfs/dbraw/zinc/53/12/70/1138531270.db2.gz XGCHGTQOEMIAPO-OAHLLOKOSA-N 0 3 322.474 2.296 20 10 DECDHN CCN1CC[C@@]2(C[N@H+](Cc3c(C)cccc3[O-])C[C@@H]2C)C1=O ZINC001237485783 1138654743 /nfs/dbraw/zinc/65/47/43/1138654743.db2.gz MCEATUITVXTVTG-KSSFIOAISA-N 0 3 302.418 2.391 20 10 DECDHN CCN1CC[C@@]2(C[N@@H+](Cc3c(C)cccc3[O-])C[C@@H]2C)C1=O ZINC001237485783 1138654750 /nfs/dbraw/zinc/65/47/50/1138654750.db2.gz MCEATUITVXTVTG-KSSFIOAISA-N 0 3 302.418 2.391 20 10 DECDHN Cc1cccc(O)c1CN1CCN(CCc2ccncc2)CC1 ZINC001237489305 1138656169 /nfs/dbraw/zinc/65/61/69/1138656169.db2.gz FQGDNNMUGSUYOJ-UHFFFAOYSA-N 0 3 311.429 2.456 20 10 DECDHN COc1ccc(CNC/C=C\CNC(=O)[C@@H]2C[C@H]2C)cc1C ZINC001320952240 1141004685 /nfs/dbraw/zinc/00/46/85/1141004685.db2.gz JTMPAMZOYXQTSQ-WSXGPOFGSA-N 0 3 302.418 2.422 20 10 DECDHN Cc1cc(CNCc2ccc(N3CCC(CO)CC3)cc2)n[nH]1 ZINC001321649938 1141322139 /nfs/dbraw/zinc/32/21/39/1141322139.db2.gz MFFYOQKKYDWREJ-UHFFFAOYSA-N 0 3 314.433 2.217 20 10 DECDHN C[C@@H](O)CN1CCN(Cc2ccc(N3CCCC3)cc2)[C@H](C)C1 ZINC001323397421 1141849713 /nfs/dbraw/zinc/84/97/13/1141849713.db2.gz RKVDQXQJRZAWPG-IAGOWNOFSA-N 0 3 317.477 2.174 20 10 DECDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@H](OC)CC2)c([O-])c1 ZINC001249208594 1141859958 /nfs/dbraw/zinc/85/99/58/1141859958.db2.gz XSZUYNZNKAXLIE-HNNXBMFYSA-N 0 3 307.390 2.109 20 10 DECDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H](OC)CC2)c([O-])c1 ZINC001249208594 1141859959 /nfs/dbraw/zinc/85/99/59/1141859959.db2.gz XSZUYNZNKAXLIE-HNNXBMFYSA-N 0 3 307.390 2.109 20 10 DECDHN [O-]c1cc(O)ccc1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC001250686178 1142266220 /nfs/dbraw/zinc/26/62/20/1142266220.db2.gz OVXRNSSPUAJBGS-CQSZACIVSA-N 0 3 323.776 2.281 20 10 DECDHN CCN(C)c1ccc(CN2CCCC[C@H]2CNC(=O)NC)cc1 ZINC001308003116 1147440854 /nfs/dbraw/zinc/44/08/54/1147440854.db2.gz RGQFMUCFJGNOKF-KRWDZBQOSA-N 0 3 318.465 2.426 20 10 DECDHN CCN(CC)c1ccc(CN(C)C[C@H]2CN(C)C(=O)O2)cc1 ZINC001326239532 1148062960 /nfs/dbraw/zinc/06/29/60/1148062960.db2.gz IWLMLPBVQIOMCZ-INIZCTEOSA-N 0 3 305.422 2.415 20 10 DECDHN C[C@H]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000066697104 354729333 /nfs/dbraw/zinc/72/93/33/354729333.db2.gz SCCNIPFQQBMYKZ-HNNXBMFYSA-N 0 3 303.450 2.443 20 10 DECDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c1[O-] ZINC000092070143 193152191 /nfs/dbraw/zinc/15/21/91/193152191.db2.gz GKAXSCHOCWCGNN-CQSZACIVSA-N 0 3 316.405 2.295 20 10 DECDHN CCOc1cccc(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c1[O-] ZINC000092070143 193152195 /nfs/dbraw/zinc/15/21/95/193152195.db2.gz GKAXSCHOCWCGNN-CQSZACIVSA-N 0 3 316.405 2.295 20 10 DECDHN C[C@@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1ccccc1[O-] ZINC000285718547 296127527 /nfs/dbraw/zinc/12/75/27/296127527.db2.gz QAKIEZGDCDRDDV-BXUZGUMPSA-N 0 3 318.339 2.306 20 10 DECDHN COC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C[C@H]1C ZINC000369868832 533014753 /nfs/dbraw/zinc/01/47/53/533014753.db2.gz VGWZHIQBDZTJPF-BXKDBHETSA-N 0 3 313.781 2.295 20 10 DECDHN COC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C[C@H]1C ZINC000369868832 533014761 /nfs/dbraw/zinc/01/47/61/533014761.db2.gz VGWZHIQBDZTJPF-BXKDBHETSA-N 0 3 313.781 2.295 20 10 DECDHN CC(C)N1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000272492090 130034960 /nfs/dbraw/zinc/03/49/60/130034960.db2.gz RUIUNELPVFBPIS-FNORWQNLSA-N 0 3 304.390 2.054 20 10 DECDHN C[C@@H]([NH2+]CCCS(C)(=O)=O)c1cc2c(cc1[O-])CCCC2 ZINC000273591090 130141297 /nfs/dbraw/zinc/14/12/97/130141297.db2.gz PEHIMGZQZKFJHQ-GFCCVEGCSA-N 0 3 311.447 2.356 20 10 DECDHN Cc1ccc([C@H](C)[NH2+]CC2(OCCO)CCOCC2)c([O-])c1C ZINC000282920017 130945778 /nfs/dbraw/zinc/94/57/78/130945778.db2.gz XWWUMMKVUUIHKT-HNNXBMFYSA-N 0 3 323.433 2.218 20 10 DECDHN C[C@@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1ccccc1[O-] ZINC000285718551 131196394 /nfs/dbraw/zinc/19/63/94/131196394.db2.gz QAKIEZGDCDRDDV-RISCZKNCSA-N 0 3 318.339 2.306 20 10 DECDHN Cc1cccc(C[NH2+]CCn2cc(Br)cn2)c1[O-] ZINC000289529430 131393246 /nfs/dbraw/zinc/39/32/46/131393246.db2.gz HMPIAINVBNUHNA-UHFFFAOYSA-N 0 3 310.195 2.449 20 10 DECDHN COc1cccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC000113343238 401776763 /nfs/dbraw/zinc/77/67/63/401776763.db2.gz USBVMKMJSUGQFI-CYBMUJFWSA-N 0 3 322.405 2.500 20 10 DECDHN [O-]c1cc2c(cc1CN1CCC[C@@H]([NH+]3CCCC3)C1)OCO2 ZINC000092047371 402000735 /nfs/dbraw/zinc/00/07/35/402000735.db2.gz XYVFDTVFRWTGQC-CQSZACIVSA-N 0 3 304.390 2.181 20 10 DECDHN CCN(C)C(=O)CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000153447634 402145826 /nfs/dbraw/zinc/14/58/26/402145826.db2.gz GLUSQXBYAAUXAW-MRXNPFEDSA-N 0 3 320.433 2.242 20 10 DECDHN CCN(C)C(=O)CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000153447634 402145830 /nfs/dbraw/zinc/14/58/30/402145830.db2.gz GLUSQXBYAAUXAW-MRXNPFEDSA-N 0 3 320.433 2.242 20 10 DECDHN CCN1CCCC[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000104341878 402202922 /nfs/dbraw/zinc/20/29/22/402202922.db2.gz FAUSVCSEMISJOT-INIZCTEOSA-N 0 3 307.413 2.382 20 10 DECDHN CN(C)c1ccc(CN2CCC[C@@H]2CN2CCOCC2)cc1F ZINC000125638710 402243374 /nfs/dbraw/zinc/24/33/74/402243374.db2.gz TWADSSDHFVARIA-MRXNPFEDSA-N 0 3 321.440 2.188 20 10 DECDHN CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(C)cc2[O-])CC1 ZINC000185014072 402317359 /nfs/dbraw/zinc/31/73/59/402317359.db2.gz YWIZKRHEYHLCOU-INIZCTEOSA-N 0 3 305.466 2.379 20 10 DECDHN C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])CN1CCN(C)CC1 ZINC000185343805 402345038 /nfs/dbraw/zinc/34/50/38/402345038.db2.gz YJCKBEWUQORPNW-KBPBESRZSA-N 0 3 309.429 2.065 20 10 DECDHN CCOc1cccc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c1[O-] ZINC000179369787 402587124 /nfs/dbraw/zinc/58/71/24/402587124.db2.gz DUWUXUCGXIYVNF-AWEZNQCLSA-N 0 3 307.390 2.376 20 10 DECDHN CCOc1cccc(C[N@H+]2CCC[C@H](C3OCCO3)C2)c1[O-] ZINC000179369787 402587126 /nfs/dbraw/zinc/58/71/26/402587126.db2.gz DUWUXUCGXIYVNF-AWEZNQCLSA-N 0 3 307.390 2.376 20 10 DECDHN CNC(=O)c1ccc(CN(C)Cc2cc(OC)ccc2O)cc1 ZINC000179614436 402595761 /nfs/dbraw/zinc/59/57/61/402595761.db2.gz CLGDTXRRDWVCMN-UHFFFAOYSA-N 0 3 314.385 2.392 20 10 DECDHN CCOCc1cc(CNC[C@](C)(O)CSC)ccc1OC ZINC000172634871 402667309 /nfs/dbraw/zinc/66/73/09/402667309.db2.gz SQAJFWWUGFQEOF-INIZCTEOSA-N 0 3 313.463 2.435 20 10 DECDHN C[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccccc1[O-] ZINC000183448134 402768805 /nfs/dbraw/zinc/76/88/05/402768805.db2.gz OGBKDVIVOINDKK-RHSMWYFYSA-N 0 3 322.474 2.251 20 10 DECDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)CO[C@H](C)COC ZINC000278053334 402851277 /nfs/dbraw/zinc/85/12/77/402851277.db2.gz IZVNEIBUQWXJIK-ZBFHGGJFSA-N 0 3 311.422 2.017 20 10 DECDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)CO[C@H](C)COC ZINC000278053334 402851279 /nfs/dbraw/zinc/85/12/79/402851279.db2.gz IZVNEIBUQWXJIK-ZBFHGGJFSA-N 0 3 311.422 2.017 20 10 DECDHN Cc1cccc(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)c1[O-] ZINC000271901323 402885319 /nfs/dbraw/zinc/88/53/19/402885319.db2.gz ZHISNTYNYZZIDB-QGZVFWFLSA-N 0 3 315.417 2.380 20 10 DECDHN CC[C@@H]([NH2+][C@@H](CC)C(=O)N1CCOCC1)c1ccc(C)cc1[O-] ZINC000279966130 402965670 /nfs/dbraw/zinc/96/56/70/402965670.db2.gz CQHAQTPOUSPBRC-CVEARBPZSA-N 0 3 320.433 2.379 20 10 DECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000282968918 403164459 /nfs/dbraw/zinc/16/44/59/403164459.db2.gz IJOLIASOYCXKAD-WBMJQRKESA-N 0 3 309.381 2.189 20 10 DECDHN CN1CCN(CC[NH2+]Cc2cccc(Cl)c2[O-])CC1(C)C ZINC000282180134 403129875 /nfs/dbraw/zinc/12/98/75/403129875.db2.gz FNTNCVFWKPYGAT-UHFFFAOYSA-N 0 3 311.857 2.161 20 10 DECDHN C[N@@H+](Cc1cc2c(cc1[O-])OCO2)C[C@@H](O)Cc1ccccc1 ZINC000293865751 403584985 /nfs/dbraw/zinc/58/49/85/403584985.db2.gz INFFYOZQICPRFX-HNNXBMFYSA-N 0 3 315.369 2.156 20 10 DECDHN C[N@H+](Cc1cc2c(cc1[O-])OCO2)C[C@@H](O)Cc1ccccc1 ZINC000293865751 403584988 /nfs/dbraw/zinc/58/49/88/403584988.db2.gz INFFYOZQICPRFX-HNNXBMFYSA-N 0 3 315.369 2.156 20 10 DECDHN COc1cccc(C[NH2+]C[C@H](O)Cc2cccc(F)c2)c1[O-] ZINC000295127935 403767206 /nfs/dbraw/zinc/76/72/06/403767206.db2.gz OEBPIZXRSPBGFK-OAHLLOKOSA-N 0 3 305.349 2.233 20 10 DECDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+][C@H]2CCOC2)C1 ZINC000361781758 403862249 /nfs/dbraw/zinc/86/22/49/403862249.db2.gz DPBFFVDMQSAJLQ-GJZGRUSLSA-N 0 3 310.825 2.389 20 10 DECDHN Cc1ccc(C(=O)N2CCCC23CC[NH+](C)CC3)c([O-])c1O ZINC000365388412 404643057 /nfs/dbraw/zinc/64/30/57/404643057.db2.gz FLJRHWFSMKGSHH-UHFFFAOYSA-N 0 3 304.390 2.107 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1[O-] ZINC000359871124 404807903 /nfs/dbraw/zinc/80/79/03/404807903.db2.gz MMPZARMBKYIZCE-WQAKAFBOSA-N 0 3 324.808 2.153 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)c1[O-] ZINC000359961432 404810922 /nfs/dbraw/zinc/81/09/22/404810922.db2.gz SEXNZTWFUYURQT-GFCCVEGCSA-N 0 3 307.781 2.424 20 10 DECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1 ZINC000367729937 405136844 /nfs/dbraw/zinc/13/68/44/405136844.db2.gz QULLFPIQKDJFHW-ZDUSSCGKSA-N 0 3 301.390 2.199 20 10 DECDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1 ZINC000367729937 405136850 /nfs/dbraw/zinc/13/68/50/405136850.db2.gz QULLFPIQKDJFHW-ZDUSSCGKSA-N 0 3 301.390 2.199 20 10 DECDHN C[C@H](N[C@H]1C[C@@H](O)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000834906857 649859209 /nfs/dbraw/zinc/85/92/09/649859209.db2.gz IGGQJXCEFIQOFO-SGMGOOAPSA-N 0 3 310.825 2.351 20 10 DECDHN O=C(c1cn[n-]c1[C@@H]1CC[NH2+]C1)N1CCc2c1cccc2Cl ZINC000662605266 425691649 /nfs/dbraw/zinc/69/16/49/425691649.db2.gz KWAOLHUCBVBZHS-SNVBAGLBSA-N 0 3 316.792 2.343 20 10 DECDHN COC[C@H](CCO)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000280930108 277590164 /nfs/dbraw/zinc/59/01/64/277590164.db2.gz QHSZPVFZEWPYJW-LBPRGKRZSA-N 0 3 320.355 2.258 20 10 DECDHN Cc1ccc(O)c(CNCc2ccc(S(C)(=O)=O)cc2)c1 ZINC000071408747 331668623 /nfs/dbraw/zinc/66/86/23/331668623.db2.gz KMFASPFMUYQKFS-UHFFFAOYSA-N 0 3 305.399 2.394 20 10 DECDHN CCN(C)c1ccc([C@H](C)NCC(=O)NCC(F)(F)F)cc1 ZINC000160539031 520286575 /nfs/dbraw/zinc/28/65/75/520286575.db2.gz JDOIGFVNCQHATJ-NSHDSACASA-N 0 3 317.355 2.472 20 10 DECDHN CCOc1cccc(CN2CCC(NC(=O)C3CC3)CC2)c1O ZINC000179912650 521336129 /nfs/dbraw/zinc/33/61/29/521336129.db2.gz BFDWPCYJMKWIKZ-UHFFFAOYSA-N 0 3 318.417 2.282 20 10 DECDHN CN(C)c1ccc(CN2CCC(c3nncn3C)CC2)cc1F ZINC000130592585 522175080 /nfs/dbraw/zinc/17/50/80/522175080.db2.gz XAJAVLWXZCFLHR-UHFFFAOYSA-N 0 3 317.412 2.400 20 10 DECDHN COc1ccc(O)c(CN2CCOC3(CCOCC3)CC2)c1 ZINC000364235111 524743326 /nfs/dbraw/zinc/74/33/26/524743326.db2.gz HZBCNRIRBGPBDF-UHFFFAOYSA-N 0 3 307.390 2.172 20 10 DECDHN COc1ccc([O-])c(C[N@@H+]2CCOC3(CCOCC3)CC2)c1 ZINC000364235111 524743335 /nfs/dbraw/zinc/74/33/35/524743335.db2.gz HZBCNRIRBGPBDF-UHFFFAOYSA-N 0 3 307.390 2.172 20 10 DECDHN COc1ccc([O-])c(C[N@H+]2CCOC3(CCOCC3)CC2)c1 ZINC000364235111 524743346 /nfs/dbraw/zinc/74/33/46/524743346.db2.gz HZBCNRIRBGPBDF-UHFFFAOYSA-N 0 3 307.390 2.172 20 10 DECDHN C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1cc(F)ccc1[O-] ZINC000363870477 525566339 /nfs/dbraw/zinc/56/63/39/525566339.db2.gz VRRFZXUJEWDDAR-WCQYABFASA-N 0 3 304.369 2.194 20 10 DECDHN C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccccc1[O-] ZINC000179902930 525617671 /nfs/dbraw/zinc/61/76/71/525617671.db2.gz SPWJOCOBSIPEDO-ONGXEEELSA-N 0 3 302.296 2.206 20 10 DECDHN CCN(CC)c1ccc(CNCCN2CCC(O)CC2)cc1F ZINC000294964072 528306777 /nfs/dbraw/zinc/30/67/77/528306777.db2.gz WYKYUIIISFZLDB-UHFFFAOYSA-N 0 3 323.456 2.218 20 10 DECDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)ccc2[O-])[C@]12CCCO2 ZINC000272666874 535507631 /nfs/dbraw/zinc/50/76/31/535507631.db2.gz JFKTWQQNHNHXSR-GVDBMIGSSA-N 0 3 307.390 2.217 20 10 DECDHN CCN1CCN(C[C@@H](C)C[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000297513859 535708646 /nfs/dbraw/zinc/70/86/46/535708646.db2.gz CSMJABAWMNFNHH-DOTOQJQBSA-N 0 3 317.477 2.243 20 10 DECDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000273439633 536792995 /nfs/dbraw/zinc/79/29/95/536792995.db2.gz YBCPTAHUCDUOLY-STQMWFEESA-N 0 3 318.417 2.314 20 10 DECDHN NC(=O)C1(NCc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000191489282 625526294 /nfs/dbraw/zinc/52/62/94/625526294.db2.gz CKJFQWNASVHWLA-UHFFFAOYSA-N 0 3 312.369 2.079 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)CSC2CC2)N(C)C)cc1 ZINC000891246658 623790546 /nfs/dbraw/zinc/79/05/46/623790546.db2.gz DJHOYDVWAVLHPR-MRXNPFEDSA-N 0 3 321.490 2.367 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCS2)N(C)C)cc1 ZINC000891253087 623799483 /nfs/dbraw/zinc/79/94/83/623799483.db2.gz QKBSIFJPNLZMNE-JKSUJKDBSA-N 0 3 321.490 2.367 20 10 DECDHN O=C(NC[C@@H]1NCCc2ccccc21)N1Cc2cccc(O)c2C1 ZINC000892118988 624788273 /nfs/dbraw/zinc/78/82/73/624788273.db2.gz JXFKADQWAYZFKB-KRWDZBQOSA-N 0 3 323.396 2.304 20 10 DECDHN CN(C)c1ccc(CN[C@@H]2CCC3(C[C@H]2F)OCCO3)cc1 ZINC000892475675 625822078 /nfs/dbraw/zinc/82/20/78/625822078.db2.gz KWRJBKNUHUGFEC-HZPDHXFCSA-N 0 3 308.397 2.476 20 10 DECDHN COCCOCC[N@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000313555719 633670679 /nfs/dbraw/zinc/67/06/79/633670679.db2.gz SQIYPVIGTDJTNH-UHFFFAOYSA-N 0 3 303.786 2.149 20 10 DECDHN COCCOCC[N@@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000313555719 633670685 /nfs/dbraw/zinc/67/06/85/633670685.db2.gz SQIYPVIGTDJTNH-UHFFFAOYSA-N 0 3 303.786 2.149 20 10 DECDHN CCCC[N@H+](C)C[C@@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000922519099 636214543 /nfs/dbraw/zinc/21/45/43/636214543.db2.gz OVAGYPWWRWBQIP-GFCCVEGCSA-N 0 3 311.401 2.451 20 10 DECDHN CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000922519099 636214547 /nfs/dbraw/zinc/21/45/47/636214547.db2.gz OVAGYPWWRWBQIP-GFCCVEGCSA-N 0 3 311.401 2.451 20 10 DECDHN COc1cc(C)cc(CNCc2cccnc2N(C)C)c1O ZINC000894176250 636391747 /nfs/dbraw/zinc/39/17/47/636391747.db2.gz RHOXPMWJQUQPGZ-UHFFFAOYSA-N 0 3 301.390 2.460 20 10 DECDHN C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCc1c([O-])cccc1F ZINC000923308026 637099690 /nfs/dbraw/zinc/09/96/90/637099690.db2.gz ZGZYWDCPMDEYLZ-ZDUSSCGKSA-N 0 3 323.412 2.451 20 10 DECDHN CN(C)c1ccc(CN[C@H]2CCCc3c2cnn3CCO)cc1 ZINC000320017959 637409402 /nfs/dbraw/zinc/40/94/02/637409402.db2.gz FSNNWIMSANKDEN-KRWDZBQOSA-N 0 3 314.433 2.109 20 10 DECDHN Cc1cc([O-])c(C[NH2+][C@H](C)CN2CCN(C)CC2)c(Cl)c1 ZINC000840895154 650372704 /nfs/dbraw/zinc/37/27/04/650372704.db2.gz JJTSFRSRPWKYHU-CYBMUJFWSA-N 0 3 311.857 2.080 20 10 DECDHN Cc1cc(N(C)C)ccc1CN1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000840914186 650379858 /nfs/dbraw/zinc/37/98/58/650379858.db2.gz RBACWRPWZXIHNI-OALUTQOASA-N 0 3 317.477 2.092 20 10 DECDHN CCOc1ccc(O)c(CN2CCNC(=O)CC23CCC3)c1 ZINC000895928098 638271342 /nfs/dbraw/zinc/27/13/42/638271342.db2.gz GFBYAHQYPWHLOT-UHFFFAOYSA-N 0 3 304.390 2.036 20 10 DECDHN C/C=C\CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000896018498 638312431 /nfs/dbraw/zinc/31/24/31/638312431.db2.gz OOFSPBAFIGNRRD-MWWKQMNYSA-N 0 3 304.438 2.231 20 10 DECDHN CCC1(CC)CNC(=O)[C@H]1NCc1ccc2c(c1)CCCO2 ZINC000897341413 639513016 /nfs/dbraw/zinc/51/30/16/639513016.db2.gz DBUSHWBSHJFJFM-MRXNPFEDSA-N 0 3 302.418 2.406 20 10 DECDHN C[C@@H]1C[C@H]([NH2+]CCCS(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000756535538 639670482 /nfs/dbraw/zinc/67/04/82/639670482.db2.gz QYNFVXAKZMTLTP-KOLCDFICSA-N 0 3 301.383 2.104 20 10 DECDHN C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(N)=O)nc2)c2c1c(F)ccc2[O-] ZINC000756641825 639681303 /nfs/dbraw/zinc/68/13/03/639681303.db2.gz YLUXRAKTJSWGBG-TVQRCGJNSA-N 0 3 315.348 2.363 20 10 DECDHN C[C@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841762458 650559317 /nfs/dbraw/zinc/55/93/17/650559317.db2.gz JPPOKNDXZJGQTL-OLZOCXBDSA-N 0 3 311.857 2.332 20 10 DECDHN CN(C)C[C@H]1CN(C(=O)/C=C\c2cccnc2)c2ccccc2O1 ZINC000760819603 640232032 /nfs/dbraw/zinc/23/20/32/640232032.db2.gz YJJDHXNIIDIMTJ-YDZSZYSISA-N 0 3 323.396 2.451 20 10 DECDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)NCC(F)(F)F ZINC000765386020 640771848 /nfs/dbraw/zinc/77/18/48/640771848.db2.gz QYIFDTUPSLIECS-GHMZBOCLSA-N 0 3 317.355 2.470 20 10 DECDHN COC(=O)C1([C@]2(O)CCC[N@H+](Cc3ccccc3[O-])C2)CCC1 ZINC000897700569 640908838 /nfs/dbraw/zinc/90/88/38/640908838.db2.gz VMYWBNXHKSDPPO-SFHVURJKSA-N 0 3 319.401 2.062 20 10 DECDHN COC(=O)C1([C@]2(O)CCC[N@@H+](Cc3ccccc3[O-])C2)CCC1 ZINC000897700569 640908841 /nfs/dbraw/zinc/90/88/41/640908841.db2.gz VMYWBNXHKSDPPO-SFHVURJKSA-N 0 3 319.401 2.062 20 10 DECDHN CCOc1ccc(CN2CCN(C[C@@H]3CCCO3)CC2)c(O)c1 ZINC000768193243 641058650 /nfs/dbraw/zinc/05/86/50/641058650.db2.gz YNCSHMFHCRKSES-KRWDZBQOSA-N 0 3 320.433 2.088 20 10 DECDHN C[C@H](NCC(=O)N(C)CC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000773013865 641716873 /nfs/dbraw/zinc/71/68/73/641716873.db2.gz GBNQWGGOOJJNQA-NSHDSACASA-N 0 3 317.355 2.424 20 10 DECDHN CCN(C)c1ccc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1 ZINC000773887062 641836377 /nfs/dbraw/zinc/83/63/77/641836377.db2.gz ABQWYHILLBVEJD-USXIJHARSA-N 0 3 301.434 2.229 20 10 DECDHN COc1ccc(O)c([C@H](C)NCc2cc(=O)c(OC)co2)c1 ZINC000775371972 642036770 /nfs/dbraw/zinc/03/67/70/642036770.db2.gz WMPIRFYIFBQKJO-JTQLQIEISA-N 0 3 305.330 2.213 20 10 DECDHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000775984948 642118988 /nfs/dbraw/zinc/11/89/88/642118988.db2.gz IPWFFVCXDDHMGK-LSDHHAIUSA-N 0 3 321.440 2.187 20 10 DECDHN COc1ccc(O)c(CN[C@@H]2CCN(C3CCCCC3)C2=O)c1 ZINC000776253061 642150312 /nfs/dbraw/zinc/15/03/12/642150312.db2.gz MJPGPHVTGLRTHF-MRXNPFEDSA-N 0 3 318.417 2.424 20 10 DECDHN CC(C)CNC(=S)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899725476 642150688 /nfs/dbraw/zinc/15/06/88/642150688.db2.gz WCOSCZPDONMEBT-MRXNPFEDSA-N 0 3 322.522 2.475 20 10 DECDHN CCOc1ccc(C[NH2+][C@]2(CO)C[C@H](OCC)C2(C)C)c([O-])c1 ZINC000780593265 642648069 /nfs/dbraw/zinc/64/80/69/642648069.db2.gz CXYIBFVSWCZTSV-WMZOPIPTSA-N 0 3 323.433 2.447 20 10 DECDHN C[C@H]1CC2(C[N@@H+]1Cc1cc3c(cc1[O-])OC[C@@H]3O)CCOCC2 ZINC000842637741 650791904 /nfs/dbraw/zinc/79/19/04/650791904.db2.gz DQTPEABOKGXTLB-LRDDRELGSA-N 0 3 319.401 2.209 20 10 DECDHN C[C@H]1CC2(C[N@H+]1Cc1cc3c(cc1[O-])OC[C@@H]3O)CCOCC2 ZINC000842637741 650791906 /nfs/dbraw/zinc/79/19/06/650791906.db2.gz DQTPEABOKGXTLB-LRDDRELGSA-N 0 3 319.401 2.209 20 10 DECDHN Cc1cccc(CNCc2ccc(S(C)(=O)=O)s2)c1O ZINC000787424389 643493338 /nfs/dbraw/zinc/49/33/38/643493338.db2.gz IXWFBEGDOSJBGS-UHFFFAOYSA-N 0 3 311.428 2.455 20 10 DECDHN C[C@@H]1CN(CCN(C)Cc2ccc(N(C)C)c(F)c2)C[C@H](C)O1 ZINC000789765797 643772013 /nfs/dbraw/zinc/77/20/13/643772013.db2.gz TVJPASSPUCAHAA-GASCZTMLSA-N 0 3 323.456 2.433 20 10 DECDHN COCC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@H]1CC[C@H](C)C1 ZINC000790481642 643857983 /nfs/dbraw/zinc/85/79/83/643857983.db2.gz YABNFBGRFXNXQQ-JDFRZJQESA-N 0 3 321.417 2.455 20 10 DECDHN COCC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@H]1CC[C@H](C)C1 ZINC000790481642 643857987 /nfs/dbraw/zinc/85/79/87/643857987.db2.gz YABNFBGRFXNXQQ-JDFRZJQESA-N 0 3 321.417 2.455 20 10 DECDHN Cc1cc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)n(C)n1 ZINC000793524175 644267274 /nfs/dbraw/zinc/26/72/74/644267274.db2.gz SLHBYDNTBGXULN-OAHLLOKOSA-N 0 3 314.433 2.416 20 10 DECDHN C[C@H]1CN(Cc2cc3c(cc2O)CCC3)C[C@@]2(CCOC2)O1 ZINC000794704807 644463340 /nfs/dbraw/zinc/46/33/40/644463340.db2.gz NSNBLSIWJSCWEA-SCLBCKFNSA-N 0 3 303.402 2.261 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)OCC2CC2)N(C)C)cc1 ZINC000908460799 644867354 /nfs/dbraw/zinc/86/73/54/644867354.db2.gz ZDEGVPQCBBHUPJ-MRXNPFEDSA-N 0 3 305.422 2.492 20 10 DECDHN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CNCCCO1 ZINC000841085966 644937436 /nfs/dbraw/zinc/93/74/36/644937436.db2.gz JYDVHBMJZGBVNX-NSHDSACASA-N 0 3 305.205 2.167 20 10 DECDHN CN(C)c1ccc(CNC(=O)NC[C@@H]2CCCCN2C)cc1 ZINC000911761187 645825478 /nfs/dbraw/zinc/82/54/78/645825478.db2.gz MFOZTWWXTIJFQJ-INIZCTEOSA-N 0 3 304.438 2.036 20 10 DECDHN CC(C)S(=O)(=O)CC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000808725788 646132550 /nfs/dbraw/zinc/13/25/50/646132550.db2.gz FEJJWOWRXLVOJR-JQWIXIFHSA-N 0 3 315.410 2.492 20 10 DECDHN CCOc1ccc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c([O-])c1 ZINC000809700714 646265369 /nfs/dbraw/zinc/26/53/69/646265369.db2.gz MZZIYBHJWDVJQI-HOCLYGCPSA-N 0 3 320.433 2.086 20 10 DECDHN CCOc1ccc(C[N@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c([O-])c1 ZINC000809700714 646265374 /nfs/dbraw/zinc/26/53/74/646265374.db2.gz MZZIYBHJWDVJQI-HOCLYGCPSA-N 0 3 320.433 2.086 20 10 DECDHN COc1cccc(C[N@@H+]2CCC[C@@H](CCNC(C)=O)C2)c1[O-] ZINC000809778209 646282812 /nfs/dbraw/zinc/28/28/12/646282812.db2.gz MKHVXIKIQIWPFR-AWEZNQCLSA-N 0 3 306.406 2.139 20 10 DECDHN COc1cccc(C[N@H+]2CCC[C@@H](CCNC(C)=O)C2)c1[O-] ZINC000809778209 646282816 /nfs/dbraw/zinc/28/28/16/646282816.db2.gz MKHVXIKIQIWPFR-AWEZNQCLSA-N 0 3 306.406 2.139 20 10 DECDHN [O-]c1c(C[NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)ccc2ccccc21 ZINC000816548477 647150748 /nfs/dbraw/zinc/15/07/48/647150748.db2.gz JGEQCWVDZOVVJL-IAGOWNOFSA-N 0 3 312.413 2.498 20 10 DECDHN O[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000816667416 647166328 /nfs/dbraw/zinc/16/63/28/647166328.db2.gz MUXAQNLSMIQHLG-HNNXBMFYSA-N 0 3 308.397 2.009 20 10 DECDHN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCN(C)[C@H]2C)cc1 ZINC000914254924 647241225 /nfs/dbraw/zinc/24/12/25/647241225.db2.gz VGMLBIWLRMKQHO-WMLDXEAASA-N 0 3 318.465 2.425 20 10 DECDHN C[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(Br)cc(F)c1[O-] ZINC000817977849 647398892 /nfs/dbraw/zinc/39/88/92/647398892.db2.gz QOYWWTRUBYFACA-XUJCCDQDSA-N 0 3 315.186 2.162 20 10 DECDHN CCOc1ccc(C[NH2+]CCc2nnc3ccccn32)c([O-])c1 ZINC000731448376 647478708 /nfs/dbraw/zinc/47/87/08/647478708.db2.gz XRYRHRRONGKUSI-UHFFFAOYSA-N 0 3 312.373 2.166 20 10 DECDHN CN(C)c1ccc(CN(C)C(=O)CN2C3CCC2CC3)cc1 ZINC000915360134 647524683 /nfs/dbraw/zinc/52/46/83/647524683.db2.gz PYMAEYBLUXGYPQ-UHFFFAOYSA-N 0 3 301.434 2.338 20 10 DECDHN CCOc1ccc(C[NH2+][C@@H](C)C(=O)NCc2ccco2)c([O-])c1 ZINC000732230768 647551666 /nfs/dbraw/zinc/55/16/66/647551666.db2.gz RMPPZKAFNMTPJU-LBPRGKRZSA-N 0 3 318.373 2.178 20 10 DECDHN [O-]c1ccccc1C[N@H+](CCO[C@@H]1CCOC1)C[C@H]1CCCO1 ZINC000929973109 647992436 /nfs/dbraw/zinc/99/24/36/647992436.db2.gz WFTGUOMFIFTYFG-IAGOWNOFSA-N 0 3 321.417 2.179 20 10 DECDHN [O-]c1ccccc1C[N@@H+](CCO[C@@H]1CCOC1)C[C@H]1CCCO1 ZINC000929973109 647992443 /nfs/dbraw/zinc/99/24/43/647992443.db2.gz WFTGUOMFIFTYFG-IAGOWNOFSA-N 0 3 321.417 2.179 20 10 DECDHN C[C@H]1CN(CCO)CCN1Cc1ccc(N2CCCCC2)cc1 ZINC000825338612 648745083 /nfs/dbraw/zinc/74/50/83/648745083.db2.gz RBWFKTNYKYGMPQ-KRWDZBQOSA-N 0 3 317.477 2.175 20 10 DECDHN CCCN(C(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CCN(C)C1 ZINC000825602691 648786925 /nfs/dbraw/zinc/78/69/25/648786925.db2.gz LWMPRTORNFVDGY-QGZVFWFLSA-N 0 3 318.465 2.378 20 10 DECDHN COc1ccc(O)c([C@H](C)NCC(=O)N2CCC(C)CC2)c1 ZINC000182342565 648879836 /nfs/dbraw/zinc/87/98/36/648879836.db2.gz LRLRBTCBWZGTRB-ZDUSSCGKSA-N 0 3 306.406 2.310 20 10 DECDHN CCN(C)c1ccc(CN2CC[C@@H]3COC(=O)N[C@H]3C2)cc1 ZINC000830910355 649513672 /nfs/dbraw/zinc/51/36/72/649513672.db2.gz QKXPRFWTXXYKPN-ZBFHGGJFSA-N 0 3 303.406 2.073 20 10 DECDHN CO[C@@H](CNCc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000733329621 649544103 /nfs/dbraw/zinc/54/41/03/649544103.db2.gz IDOFNZNWPCUCLF-AWEZNQCLSA-N 0 3 318.339 2.190 20 10 DECDHN CC(C)CN1CCO[C@@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000834491723 649807153 /nfs/dbraw/zinc/80/71/53/649807153.db2.gz FKRWYNQQDCGKJV-JKSUJKDBSA-N 0 3 304.434 2.326 20 10 DECDHN CC[C@@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1ccc(C)cc1[O-] ZINC000848562528 651471067 /nfs/dbraw/zinc/47/10/67/651471067.db2.gz FAZSVEGFQLWEQS-TZMCWYRMSA-N 0 3 300.406 2.427 20 10 DECDHN CCc1cccc(CNCC(=O)NCCc2ccccc2)c1O ZINC000848895256 651549366 /nfs/dbraw/zinc/54/93/66/651549366.db2.gz KYLCWWPYXBUOGP-UHFFFAOYSA-N 0 3 312.413 2.403 20 10 DECDHN COc1cc(CN[C@H]2CCCNC2=O)c(O)c(C(C)(C)C)c1 ZINC000850101341 651828407 /nfs/dbraw/zinc/82/84/07/651828407.db2.gz IUAPSQMEBAUKKU-AWEZNQCLSA-N 0 3 306.406 2.067 20 10 DECDHN CN(Cc1cccs1)c1ccc(CN[C@H]2CCNC2=O)cc1 ZINC000850343423 651903932 /nfs/dbraw/zinc/90/39/32/651903932.db2.gz NSXKQSZELNZGJL-INIZCTEOSA-N 0 3 315.442 2.363 20 10 DECDHN CCOc1ccc(C[NH2+][C@@H]2CCN(C3CCC3)C2=O)c([O-])c1 ZINC000858343372 652313762 /nfs/dbraw/zinc/31/37/62/652313762.db2.gz YZJIUJKJYOCPFA-OAHLLOKOSA-N 0 3 304.390 2.034 20 10 DECDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000852636321 652431245 /nfs/dbraw/zinc/43/12/45/652431245.db2.gz RQDJYRPQOHUJOH-HZPDHXFCSA-N 0 3 301.434 2.053 20 10 DECDHN COc1ccc(O)c([C@H](C)NC(=O)c2cccc3c2CNC3)c1 ZINC000852802325 652459296 /nfs/dbraw/zinc/45/92/96/652459296.db2.gz MSVQRZBERWSNQC-NSHDSACASA-N 0 3 312.369 2.495 20 10 DECDHN C[C@@H]([NH2+]CC(=O)NCc1ccccc1)c1cc(F)ccc1[O-] ZINC000393748190 685453820 /nfs/dbraw/zinc/45/38/20/685453820.db2.gz LYDVJPRXHCBKFA-GFCCVEGCSA-N 0 3 302.349 2.498 20 10 DECDHN Cc1noc([C@@H]2OCC[C@@H]2[NH2+][C@H]2CCc3cccc([O-])c32)n1 ZINC000858589955 685564228 /nfs/dbraw/zinc/56/42/28/685564228.db2.gz DSEBYLHXZNVYDR-SLEUVZQESA-N 0 3 301.346 2.191 20 10 DECDHN COc1cc(Br)cc(C[NH2+]C[C@H]2CCCO2)c1[O-] ZINC000076276062 683941770 /nfs/dbraw/zinc/94/17/70/683941770.db2.gz NFDNMBPIGQGYQE-LLVKDONJSA-N 0 3 316.195 2.432 20 10 DECDHN CN(C)C1(C(=O)NCc2ccc3c(c2)CCCN3C)CCC1 ZINC000119721975 684085855 /nfs/dbraw/zinc/08/58/55/684085855.db2.gz SVCZKYLWOVFAFA-UHFFFAOYSA-N 0 3 301.434 2.170 20 10 DECDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COC1CCOCC1 ZINC000119965844 684090111 /nfs/dbraw/zinc/09/01/11/684090111.db2.gz LGNMAYCXUQTSFB-MRXNPFEDSA-N 0 3 323.433 2.161 20 10 DECDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)COC1CCOCC1 ZINC000119965844 684090113 /nfs/dbraw/zinc/09/01/13/684090113.db2.gz LGNMAYCXUQTSFB-MRXNPFEDSA-N 0 3 323.433 2.161 20 10 DECDHN CCN(CC)c1ccc(CN2CCN(CCOC)CC2)cc1 ZINC000120890273 684102235 /nfs/dbraw/zinc/10/22/35/684102235.db2.gz LLSNXHQHLYQKIM-UHFFFAOYSA-N 0 3 305.466 2.297 20 10 DECDHN CCCN1CCC[C@@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000862028364 686226388 /nfs/dbraw/zinc/22/63/88/686226388.db2.gz WQYWRCZCKBYREO-OAHLLOKOSA-N 0 3 313.401 2.431 20 10 DECDHN CCN(CC)c1ccc(CN(C)[C@]2(CO)CCOC2)cc1F ZINC000862426413 686299566 /nfs/dbraw/zinc/29/95/66/686299566.db2.gz DPFWAHYRWKERES-KRWDZBQOSA-N 0 3 310.413 2.255 20 10 DECDHN Cc1ccc(O)c(CNC[C@@H](n2cncn2)C(F)(F)F)c1 ZINC000865682515 687300361 /nfs/dbraw/zinc/30/03/61/687300361.db2.gz NJQTWFNCKQGYQT-GFCCVEGCSA-N 0 3 300.284 2.185 20 10 DECDHN Cc1cc(O)c(CNCc2n[nH]c(C3CCOCC3)n2)cc1C ZINC000865686785 687301838 /nfs/dbraw/zinc/30/18/38/687301838.db2.gz ISYFXNJPFZXRIS-UHFFFAOYSA-N 0 3 316.405 2.311 20 10 DECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000877501996 690133588 /nfs/dbraw/zinc/13/35/88/690133588.db2.gz YAUVDOHCOXBMHC-INIZCTEOSA-N 0 3 304.434 2.245 20 10 DECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000877501996 690133589 /nfs/dbraw/zinc/13/35/89/690133589.db2.gz YAUVDOHCOXBMHC-INIZCTEOSA-N 0 3 304.434 2.245 20 10 DECDHN CN(Cc1cnc[nH]1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877619473 690170071 /nfs/dbraw/zinc/17/00/71/690170071.db2.gz AGNFDUPMFQXQOW-UHFFFAOYSA-N 0 3 300.406 2.003 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@H](C)[C@@H](O)C(F)(F)F)c1[O-] ZINC000877693873 690193763 /nfs/dbraw/zinc/19/37/63/690193763.db2.gz SWXBGKMJDMMAKT-KSBSHMNSSA-N 0 3 313.703 2.456 20 10 DECDHN COc1cc(Cl)cc(CN[C@H](C)[C@@H](O)C(F)(F)F)c1O ZINC000877693873 690193765 /nfs/dbraw/zinc/19/37/65/690193765.db2.gz SWXBGKMJDMMAKT-KSBSHMNSSA-N 0 3 313.703 2.456 20 10 DECDHN CONC(=O)C1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000877785755 690228900 /nfs/dbraw/zinc/22/89/00/690228900.db2.gz FJAADWNWKQJIQX-SNAWJCMRSA-N 0 3 317.433 2.155 20 10 DECDHN CCC[C@H](N)c1cn(Cc2cc(F)cc(C(C)=O)c2O)nn1 ZINC000880996095 691010688 /nfs/dbraw/zinc/01/06/88/691010688.db2.gz OKVDCEVEUWEUMR-ZDUSSCGKSA-N 0 3 306.341 2.174 20 10 DECDHN Cc1cnc(CNCc2ccc(N3CCN(C)CC3)cc2)s1 ZINC000883283470 691471557 /nfs/dbraw/zinc/47/15/57/691471557.db2.gz GYXPHXWIGCPGMD-UHFFFAOYSA-N 0 3 316.474 2.493 20 10 DECDHN O=C1NCCN1c1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC000883282573 691471811 /nfs/dbraw/zinc/47/18/11/691471811.db2.gz XORARYLLSAWUER-UHFFFAOYSA-N 0 3 323.396 2.441 20 10 DECDHN CC(=O)c1cc(F)cc(CN2CC[NH2+]CCC23CCC3)c1[O-] ZINC000883456849 691515563 /nfs/dbraw/zinc/51/55/63/691515563.db2.gz MAJPHJWFVFLXAZ-UHFFFAOYSA-N 0 3 306.381 2.452 20 10 DECDHN CC(C)[C@@H](C[NH2+][C@H](C)c1c([O-])cccc1F)N1CCN(C)CC1 ZINC000886500212 692094442 /nfs/dbraw/zinc/09/44/42/692094442.db2.gz LHMVSWZOSYMLMN-GDBMZVCRSA-N 0 3 323.456 2.454 20 10 DECDHN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000925322761 693256279 /nfs/dbraw/zinc/25/62/79/693256279.db2.gz BNYDRIGXNFVEQR-UKRRQHHQSA-N 0 3 305.422 2.406 20 10 DECDHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c2c1c(F)ccc2[O-] ZINC000926947680 693533989 /nfs/dbraw/zinc/53/39/89/693533989.db2.gz KMXLQLBNRZZSAD-SGOHARFASA-N 0 3 307.365 2.473 20 10 DECDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3nnn(C)c3C2)c2c1c(F)ccc2[O-] ZINC000927148369 693561069 /nfs/dbraw/zinc/56/10/69/693561069.db2.gz WRALAUKPOCTOIM-GBIKHYSHSA-N 0 3 316.380 2.355 20 10 DECDHN Cc1ccc([O-])c(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)c1 ZINC001347710140 1151092238 /nfs/dbraw/zinc/09/22/38/1151092238.db2.gz SZBJIDRMUDXDEC-QGZVFWFLSA-N 0 3 305.418 2.358 20 10 DECDHN Cc1nccc(NCc2ccc(N3CCN(C)CC3)cc2)c1F ZINC001167436905 777042252 /nfs/dbraw/zinc/04/22/52/777042252.db2.gz GIIRLROFFLDJKG-UHFFFAOYSA-N 0 3 314.408 2.315 20 10 DECDHN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCCN1C ZINC001135800630 789502108 /nfs/dbraw/zinc/50/21/08/789502108.db2.gz KCWRAZKMUCBHRD-QGZVFWFLSA-N 0 3 301.434 2.339 20 10 DECDHN Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@H](CO)c1cnn(C)c1 ZINC001116567151 794969638 /nfs/dbraw/zinc/96/96/38/794969638.db2.gz BIYZVKONPSNQRZ-MRVWCRGKSA-N 0 3 301.390 2.306 20 10 DECDHN COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC001116753259 794984419 /nfs/dbraw/zinc/98/44/19/794984419.db2.gz NVOJOLAQBSGSTM-RYUDHWBXSA-N 0 3 313.781 2.486 20 10 DECDHN O=C(C=Cc1ccc(O)c(O)c1)NCCc1c[nH]c2ccncc12 ZINC001179691401 795154329 /nfs/dbraw/zinc/15/43/29/795154329.db2.gz MXBVHBQQHDIIBE-DUXPYHPUSA-N 0 3 323.352 2.346 20 10 DECDHN O=C(NCc1c([O-])cccc1F)c1ccc2c(c1)CC[NH2+]CC2 ZINC001122174629 795732194 /nfs/dbraw/zinc/73/21/94/795732194.db2.gz WSRAHIFWMBORQX-UHFFFAOYSA-N 0 3 314.360 2.150 20 10 DECDHN CC(=O)N[C@@H]1CCCN(Cc2ccc3c(c2)CCCN3C)C1 ZINC001138357471 796203889 /nfs/dbraw/zinc/20/38/89/796203889.db2.gz FXOABDGAQZKBAN-QGZVFWFLSA-N 0 3 301.434 2.170 20 10 DECDHN CC[N@H+](Cc1ccc(OCC(N)=O)cc1)Cc1ccccc1[O-] ZINC001138871336 796294847 /nfs/dbraw/zinc/29/48/47/796294847.db2.gz HPHAOFIIGXHVNG-UHFFFAOYSA-N 0 3 314.385 2.278 20 10 DECDHN CC[N@@H+](Cc1ccc(OCC(N)=O)cc1)Cc1ccccc1[O-] ZINC001138871336 796294852 /nfs/dbraw/zinc/29/48/52/796294852.db2.gz HPHAOFIIGXHVNG-UHFFFAOYSA-N 0 3 314.385 2.278 20 10 DECDHN Cc1cnc(N2CCN(Cc3c(C)ccc(C)c3O)CC2)nc1 ZINC001140185566 796488547 /nfs/dbraw/zinc/48/85/47/796488547.db2.gz ZEWSUFBXJXCCCQ-UHFFFAOYSA-N 0 3 312.417 2.430 20 10 DECDHN CCN1CCN(c2ccc(CN3CCC(=O)[C@@H](C)C3)cc2)CC1 ZINC001140302667 796503159 /nfs/dbraw/zinc/50/31/59/796503159.db2.gz XCOFCUWOEAYMJR-INIZCTEOSA-N 0 3 315.461 2.239 20 10 DECDHN COc1cccc(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)c1O ZINC000123728463 799142859 /nfs/dbraw/zinc/14/28/59/799142859.db2.gz OPJRBEZSVUHLGX-MFKMUULPSA-N 0 3 305.296 2.288 20 10 DECDHN [O-]c1ccccc1C[N@@H+]1CCc2ncnc(N3CCCC3)c2CC1 ZINC001203551936 800078252 /nfs/dbraw/zinc/07/82/52/800078252.db2.gz UFKJONMDPJNPQG-UHFFFAOYSA-N 0 3 324.428 2.383 20 10 DECDHN [O-]c1ccccc1C[N@H+]1CCc2ncnc(N3CCCC3)c2CC1 ZINC001203551936 800078258 /nfs/dbraw/zinc/07/82/58/800078258.db2.gz UFKJONMDPJNPQG-UHFFFAOYSA-N 0 3 324.428 2.383 20 10 DECDHN Cc1ccc(N2CC[C@@H]3C[N@H+](Cc4ccccc4[O-])C[C@@H]3C2)nn1 ZINC001203552044 800078449 /nfs/dbraw/zinc/07/84/49/800078449.db2.gz YHRFPFQCFPMLJQ-NVXWUHKLSA-N 0 3 324.428 2.449 20 10 DECDHN Cc1ccc(N2CC[C@@H]3C[N@@H+](Cc4ccccc4[O-])C[C@@H]3C2)nn1 ZINC001203552044 800078457 /nfs/dbraw/zinc/07/84/57/800078457.db2.gz YHRFPFQCFPMLJQ-NVXWUHKLSA-N 0 3 324.428 2.449 20 10 DECDHN CCOC[C@@H]1Cn2nccc2CN(Cc2ccccc2O)C1 ZINC001203552136 800079551 /nfs/dbraw/zinc/07/95/51/800079551.db2.gz BVMCZXYJABBKRN-AWEZNQCLSA-N 0 3 301.390 2.257 20 10 DECDHN COc1ccc(C[NH+]2CCC(Oc3cnccn3)CC2)c([O-])c1 ZINC001203629233 800093662 /nfs/dbraw/zinc/09/36/62/800093662.db2.gz TXNRXSIWTOVATI-UHFFFAOYSA-N 0 3 315.373 2.234 20 10 DECDHN COc1ccc(CN2CCC(Oc3cnccn3)CC2)c(O)c1 ZINC001203629233 800093669 /nfs/dbraw/zinc/09/36/69/800093669.db2.gz TXNRXSIWTOVATI-UHFFFAOYSA-N 0 3 315.373 2.234 20 10 DECDHN COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(OC)cc1[O-])C2 ZINC001203629279 800093854 /nfs/dbraw/zinc/09/38/54/800093854.db2.gz VOOWMXNDOGPJLL-YUTCNCBUSA-N 0 3 305.374 2.174 20 10 DECDHN COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(OC)cc1[O-])C2 ZINC001203629279 800093862 /nfs/dbraw/zinc/09/38/62/800093862.db2.gz VOOWMXNDOGPJLL-YUTCNCBUSA-N 0 3 305.374 2.174 20 10 DECDHN CCOC(=O)NC1CCN(Cc2cc(OC)ccc2O)CC1 ZINC001203681091 800105415 /nfs/dbraw/zinc/10/54/15/800105415.db2.gz OUXCZZWRYDSZOJ-UHFFFAOYSA-N 0 3 308.378 2.111 20 10 DECDHN CN(C)c1ccc(CN2CCOC[C@@H](O)C2)c2ccccc21 ZINC001204233014 800192476 /nfs/dbraw/zinc/19/24/76/800192476.db2.gz NGYUZCNDXINPBF-HNNXBMFYSA-N 0 3 300.402 2.099 20 10 DECDHN COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204274268 800198389 /nfs/dbraw/zinc/19/83/89/800198389.db2.gz LMEVGPVLICCDRW-SJORKVTESA-N 0 3 307.390 2.115 20 10 DECDHN COC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204274268 800198393 /nfs/dbraw/zinc/19/83/93/800198393.db2.gz LMEVGPVLICCDRW-SJORKVTESA-N 0 3 307.390 2.115 20 10 DECDHN C[C@@H]1CN(Cc2ccc(O)cc2O)CC[C@@]1(O)C(F)(F)F ZINC001204276326 800199292 /nfs/dbraw/zinc/19/92/92/800199292.db2.gz KOFDGLHQOWIUKP-RNCFNFMXSA-N 0 3 305.296 2.233 20 10 DECDHN Oc1ccc(CN2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)c(O)c1 ZINC001204276300 800199362 /nfs/dbraw/zinc/19/93/62/800199362.db2.gz JTESVTIPKNDOJO-STQMWFEESA-N 0 3 323.286 2.325 20 10 DECDHN Cc1cccc(O[C@H]2CC[N@H+](Cc3ccc(O)cc3[O-])C2)n1 ZINC001204282495 800200783 /nfs/dbraw/zinc/20/07/83/800200783.db2.gz RFIWBZSKZSXIHO-HNNXBMFYSA-N 0 3 300.358 2.455 20 10 DECDHN Cc1cccc(O[C@H]2CC[N@@H+](Cc3ccc(O)cc3[O-])C2)n1 ZINC001204282495 800200788 /nfs/dbraw/zinc/20/07/88/800200788.db2.gz RFIWBZSKZSXIHO-HNNXBMFYSA-N 0 3 300.358 2.455 20 10 DECDHN CC(=O)N1CCCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204320454 800204565 /nfs/dbraw/zinc/20/45/65/800204565.db2.gz ZTAVSULWCWYGHW-UHFFFAOYSA-N 0 3 301.434 2.341 20 10 DECDHN COCCCCN1CCN(c2ccc(OCCOC)cc2)CC1 ZINC001209219958 801154657 /nfs/dbraw/zinc/15/46/57/801154657.db2.gz UBHABJMKSHOGFF-UHFFFAOYSA-N 0 3 322.449 2.260 20 10 DECDHN F[C@@H]1CNCCN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001210580897 801426368 /nfs/dbraw/zinc/42/63/68/801426368.db2.gz MYPQWKPGVHEIPM-QGZVFWFLSA-N 0 3 303.425 2.129 20 10 DECDHN COC[C@H]1CN(Cc2cccc(C)c2O)Cc2cn(C)nc21 ZINC001231592541 801692442 /nfs/dbraw/zinc/69/24/42/801692442.db2.gz SMAPYSAQUVGRGB-OAHLLOKOSA-N 0 3 301.390 2.180 20 10 DECDHN COc1cc(CN2CCC(c3nc(C)no3)CC2)c(O)cc1O ZINC001231637637 801701958 /nfs/dbraw/zinc/70/19/58/801701958.db2.gz PDNGRGVNVPSDKX-UHFFFAOYSA-N 0 3 319.361 2.177 20 10 DECDHN C[NH+](C)C[C@@H]1COCCN1Cc1ccc2ccccc2c1[O-] ZINC001231880451 801744286 /nfs/dbraw/zinc/74/42/86/801744286.db2.gz GEDBJPPSHGJRNZ-MRXNPFEDSA-N 0 3 300.402 2.308 20 10 DECDHN COC(=O)c1c(CN2[C@@H](C)CC[C@H]2CO)c2ccccc2n1C ZINC001232401890 801871245 /nfs/dbraw/zinc/87/12/45/801871245.db2.gz FSEIBZZXFPFMKE-STQMWFEESA-N 0 3 316.401 2.310 20 10 DECDHN COc1ccccc1CCN(C)Cc1cc(O)c(O)c(O)c1 ZINC001233012693 802002460 /nfs/dbraw/zinc/00/24/60/802002460.db2.gz MNNWGUAPWXZGMD-UHFFFAOYSA-N 0 3 303.358 2.487 20 10 DECDHN CCC(=O)N(CC)C1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233487158 802127673 /nfs/dbraw/zinc/12/76/73/802127673.db2.gz SFKUKXMIOLHYNW-UHFFFAOYSA-N 0 3 322.405 2.026 20 10 DECDHN Nc1ccc(CNC(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC001335736490 1150515328 /nfs/dbraw/zinc/51/53/28/1150515328.db2.gz BCKXCDJPJPLZOF-UHFFFAOYSA-N 0 3 316.449 2.429 20 10 DECDHN C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCc3c([O-])cccc3F)C[N@@H+]2C1 ZINC001529018835 1070815963 /nfs/dbraw/zinc/81/59/63/1070815963.db2.gz VONSFDOPIUNCPQ-UPJWGTAASA-N 0 3 306.381 2.268 20 10 DECDHN C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCc3c([O-])cccc3F)C[N@H+]2C1 ZINC001529018835 1070815996 /nfs/dbraw/zinc/81/59/96/1070815996.db2.gz VONSFDOPIUNCPQ-UPJWGTAASA-N 0 3 306.381 2.268 20 10 DECDHN COc1cc(C)c(C[NH2+]CCc2ccnc(OC)c2)c([O-])c1 ZINC001474659835 1060912939 /nfs/dbraw/zinc/91/29/39/1060912939.db2.gz UFXDJEZQPQIGGX-UHFFFAOYSA-N 0 3 302.374 2.445 20 10 DECDHN Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)c([O-])c1 ZINC001621379207 1078173395 /nfs/dbraw/zinc/17/33/95/1078173395.db2.gz LNJPRCLNKQEPJB-DLBZAZTESA-N 0 3 310.397 2.402 20 10 DECDHN Cc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)c([O-])c1 ZINC001621379207 1078173398 /nfs/dbraw/zinc/17/33/98/1078173398.db2.gz LNJPRCLNKQEPJB-DLBZAZTESA-N 0 3 310.397 2.402 20 10 DECDHN COc1cccc(CNC(=O)[C@H](N)CC2CCCCC2)c1O ZINC001579277272 1067286425 /nfs/dbraw/zinc/28/64/25/1067286425.db2.gz BJTQRMPDFOTFKP-CQSZACIVSA-N 0 3 306.406 2.315 20 10 DECDHN Cc1cnc2c(c1)N(C(=O)c1cccc3c1CCNC3)CCO2 ZINC001579823063 1067431707 /nfs/dbraw/zinc/43/17/07/1067431707.db2.gz XBQNRACIPFHQFN-UHFFFAOYSA-N 0 3 309.369 2.075 20 10 DECDHN Cn1c(CNCc2ccc(N)cc2)cc(=O)n1-c1ccccc1 ZINC001579945487 1067459865 /nfs/dbraw/zinc/45/98/65/1067459865.db2.gz JJVDLSYTTOKQMW-UHFFFAOYSA-N 0 3 308.385 2.048 20 10 DECDHN CCOC(=O)[C@@H]1CCN(Cc2ccc(C)cc2O)CCC1=O ZINC001140949722 1079255065 /nfs/dbraw/zinc/25/50/65/1079255065.db2.gz JPQHLORMJNAIRY-CQSZACIVSA-N 0 3 305.374 2.045 20 10 DECDHN CC(C)N1C[C@@H](NCc2ccc(N3CCCC3)cc2)CC1=O ZINC001620806961 1076131917 /nfs/dbraw/zinc/13/19/17/1076131917.db2.gz FNHYNXCGQUSZDI-INIZCTEOSA-N 0 3 301.434 2.386 20 10 DECDHN COCCNC(=O)[C@H](CC(C)C)NCc1ccc(OC)c(C)c1 ZINC001650773971 1079772872 /nfs/dbraw/zinc/77/28/72/1079772872.db2.gz JCQHIQMWPFIUDX-INIZCTEOSA-N 0 3 322.449 2.271 20 10 DECDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(CCOC3=O)C2)c1[O-] ZINC001660250279 1080293792 /nfs/dbraw/zinc/29/37/92/1080293792.db2.gz KOFLKFHAZGCYDJ-OAHLLOKOSA-N 0 3 311.765 2.193 20 10 DECDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@]3(CCOC3=O)C2)c1[O-] ZINC001660250279 1080293797 /nfs/dbraw/zinc/29/37/97/1080293797.db2.gz KOFLKFHAZGCYDJ-OAHLLOKOSA-N 0 3 311.765 2.193 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@H]([S@](C)=O)C2)c1[O-] ZINC001665837440 1081088883 /nfs/dbraw/zinc/08/88/83/1081088883.db2.gz PHRMLYBXKLHYJT-JGRMJRGVSA-N 0 3 317.838 2.443 20 10 DECDHN C[N@@H+]1CCC[C@@]2(CCCN(C(=O)c3cccc(O)c3[O-])C2)C1 ZINC001269607695 1081306586 /nfs/dbraw/zinc/30/65/86/1081306586.db2.gz GSFQIOQKIYGFGZ-QGZVFWFLSA-N 0 3 304.390 2.046 20 10 DECDHN C[N@H+]1CCC[C@@]2(CCCN(C(=O)c3cccc(O)c3[O-])C2)C1 ZINC001269607695 1081306588 /nfs/dbraw/zinc/30/65/88/1081306588.db2.gz GSFQIOQKIYGFGZ-QGZVFWFLSA-N 0 3 304.390 2.046 20 10 DECDHN Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)NC(C)(C)C)C2)c([O-])c1 ZINC001277568184 1084039618 /nfs/dbraw/zinc/03/96/18/1084039618.db2.gz KALYBRYYPGBVFW-RDTXWAMCSA-N 0 3 302.418 2.437 20 10 DECDHN Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C(=O)NC(C)(C)C)C2)c([O-])c1 ZINC001277568184 1084039625 /nfs/dbraw/zinc/03/96/25/1084039625.db2.gz KALYBRYYPGBVFW-RDTXWAMCSA-N 0 3 302.418 2.437 20 10 DECDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@](C)(CO)[C@H](O)C2)c([O-])c1 ZINC001235674470 1084495991 /nfs/dbraw/zinc/49/59/91/1084495991.db2.gz GHOQLAYAAGZRTH-SJLPKXTDSA-N 0 3 307.434 2.255 20 10 DECDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@](C)(CO)[C@H](O)C2)c([O-])c1 ZINC001235674470 1084495993 /nfs/dbraw/zinc/49/59/93/1084495993.db2.gz GHOQLAYAAGZRTH-SJLPKXTDSA-N 0 3 307.434 2.255 20 10 DECDHN CCCCN1CC[C@@]2(CCCN2Cc2ccc(O)cc2O)C1=O ZINC001272982461 1085778236 /nfs/dbraw/zinc/77/82/36/1085778236.db2.gz IVXBLLJFNAJTPU-SFHVURJKSA-N 0 3 318.417 2.465 20 10 DECDHN COc1cc(C)c(C[NH+]2CCC(N3CC(F)C3)CC2)c([O-])c1 ZINC001236811305 1138437078 /nfs/dbraw/zinc/43/70/78/1138437078.db2.gz OIDUCAPODVBKND-UHFFFAOYSA-N 0 3 308.397 2.327 20 10 DECDHN CC[C@H]([NH3+])CN(C)Cc1cc(Br)c(OC)cc1[O-] ZINC001236883887 1138447132 /nfs/dbraw/zinc/44/71/32/1138447132.db2.gz HIBRLKNTDKOWHN-JTQLQIEISA-N 0 3 317.227 2.332 20 10 DECDHN COC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1ccc(C(C)C)cc1[O-])C2 ZINC001237046691 1138487347 /nfs/dbraw/zinc/48/73/47/1138487347.db2.gz VPIDLWSUVRPRPZ-YJBOKZPZSA-N 0 3 319.401 2.137 20 10 DECDHN COC(=O)[C@@]12COC[C@@H]1C[N@@H+](Cc1ccc(C(C)C)cc1[O-])C2 ZINC001237046691 1138487355 /nfs/dbraw/zinc/48/73/55/1138487355.db2.gz VPIDLWSUVRPRPZ-YJBOKZPZSA-N 0 3 319.401 2.137 20 10 DECDHN CCOc1ccc(C[NH+]2CCC3(CCCNC3=O)CC2)c([O-])c1 ZINC001237043593 1138488395 /nfs/dbraw/zinc/48/83/95/1138488395.db2.gz OITNULFPEPKSGI-UHFFFAOYSA-N 0 3 318.417 2.283 20 10 DECDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](CO)C2)cc1Br ZINC001237679658 1138754640 /nfs/dbraw/zinc/75/46/40/1138754640.db2.gz TZVROQHMVLREEH-SNVBAGLBSA-N 0 3 300.196 2.277 20 10 DECDHN Cc1cc([O-])c(C[N@H+]2CC[C@@H](CO)C2)cc1Br ZINC001237679658 1138754646 /nfs/dbraw/zinc/75/46/46/1138754646.db2.gz TZVROQHMVLREEH-SNVBAGLBSA-N 0 3 300.196 2.277 20 10 DECDHN C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CCCO1 ZINC001319717111 1140684806 /nfs/dbraw/zinc/68/48/06/1140684806.db2.gz UQQXERJCQDSCRY-OAHLLOKOSA-N 0 3 321.440 2.188 20 10 DECDHN COC(=O)Cc1ccc(C[N@@H+]2CCCOC(C)(C)C2)c([O-])c1 ZINC001249201420 1141858839 /nfs/dbraw/zinc/85/88/39/1141858839.db2.gz SASIUXWBPYNQCC-UHFFFAOYSA-N 0 3 307.390 2.109 20 10 DECDHN COC(=O)Cc1ccc(C[N@H+]2CCCOC(C)(C)C2)c([O-])c1 ZINC001249201420 1141858842 /nfs/dbraw/zinc/85/88/42/1141858842.db2.gz SASIUXWBPYNQCC-UHFFFAOYSA-N 0 3 307.390 2.109 20 10 DECDHN CN(C)C(=O)CC[N@H+](C)Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001249252708 1141865418 /nfs/dbraw/zinc/86/54/18/1141865418.db2.gz RNOSJWGIWBKTMC-UHFFFAOYSA-N 0 3 318.417 2.487 20 10 DECDHN CN(C)C(=O)CC[N@@H+](C)Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001249252708 1141865419 /nfs/dbraw/zinc/86/54/19/1141865419.db2.gz RNOSJWGIWBKTMC-UHFFFAOYSA-N 0 3 318.417 2.487 20 10 DECDHN [NH3+][C@H](Cc1nc(-c2cccc3ccnn32)no1)c1ccccc1[O-] ZINC001249338869 1141877072 /nfs/dbraw/zinc/87/70/72/1141877072.db2.gz HJKHMGDVQHSVDT-CYBMUJFWSA-N 0 3 321.340 2.332 20 10 DECDHN CCCN1CCCC[C@@H]1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC001324120220 1142010960 /nfs/dbraw/zinc/01/09/60/1142010960.db2.gz AYNSJPDPEJHJNI-DZGCQCFKSA-N 0 3 320.433 2.410 20 10 DECDHN COc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC001252904904 1142828858 /nfs/dbraw/zinc/82/88/58/1142828858.db2.gz IHAJGDUCVSQISN-UONOGXRCSA-N 0 3 317.385 2.491 20 10 DECDHN CN(Cc1ccc(N2CCCC2)cc1)[C@@H]1CCCCNC1=O ZINC001254005037 1143022638 /nfs/dbraw/zinc/02/26/38/1143022638.db2.gz RYTCXOXOFWGQES-QGZVFWFLSA-N 0 3 301.434 2.387 20 10 DECDHN O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cccc(O)c1[O-])C2 ZINC001254580291 1143266017 /nfs/dbraw/zinc/26/60/17/1143266017.db2.gz DKBYSVIPRZESKN-CYBMUJFWSA-N 0 3 300.314 2.263 20 10 DECDHN O=S1(=O)CCC([NH2+]Cc2cc3ccccc3cc2[O-])CC1 ZINC001256380162 1143845571 /nfs/dbraw/zinc/84/55/71/1143845571.db2.gz ITJVUAJDWALWSG-UHFFFAOYSA-N 0 3 305.399 2.212 20 10 DECDHN Cc1cc(N(C)C)ccc1CNCc1ccc(C(=O)N(C)C)[nH]1 ZINC001308262353 1147463213 /nfs/dbraw/zinc/46/32/13/1147463213.db2.gz SANKABGPCQJNRF-UHFFFAOYSA-N 0 3 314.433 2.381 20 10 DECDHN CNC(=O)[C@@H](Cc1ccccc1)NCc1ccc2c(c1)CCO2 ZINC001308371122 1147469837 /nfs/dbraw/zinc/46/98/37/1147469837.db2.gz LBZWTBGWUKBNDO-QGZVFWFLSA-N 0 3 310.397 2.068 20 10 DECDHN O=S1(=O)CCCC[C@@H]1CNCc1ccc(N2CCCC2)cc1 ZINC001325300532 1147890899 /nfs/dbraw/zinc/89/08/99/1147890899.db2.gz RAHKENDLSOFLBM-QGZVFWFLSA-N 0 3 322.474 2.344 20 10 DECDHN CN(C)c1ccc(CNC(=O)CN2CC[C@H](C3CC3)C2)cc1 ZINC000372856127 529781183 /nfs/dbraw/zinc/78/11/83/529781183.db2.gz HZSSNBVJVUVYSG-INIZCTEOSA-N 0 3 301.434 2.101 20 10 DECDHN [O-]c1ccc(F)cc1C[NH2+][C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000272507825 130037366 /nfs/dbraw/zinc/03/73/66/130037366.db2.gz WORQQOZOULUHQM-NVXWUHKLSA-N 0 3 305.349 2.106 20 10 DECDHN CNC(=O)C1CCC([NH2+][C@@H](C)c2cc(OC)ccc2[O-])CC1 ZINC000273602666 130143200 /nfs/dbraw/zinc/14/32/00/130143200.db2.gz SGTDPNNBOBRJBH-HIFPTAJRSA-N 0 3 306.406 2.356 20 10 DECDHN CCCOc1ccc(C[NH2+][C@@H]2C[C@@H](OCC)[C@@H]2OC)c([O-])c1 ZINC000274912049 130273820 /nfs/dbraw/zinc/27/38/20/130273820.db2.gz JYFYTWMVUYQWFK-DJIMGWMZSA-N 0 3 309.406 2.463 20 10 DECDHN [O-]c1cc2c(cc1C[NH2+]CC[C@@H](O)c1ccccc1)OCO2 ZINC000289393763 131382286 /nfs/dbraw/zinc/38/22/86/131382286.db2.gz FINYLPXVZVVVFP-CQSZACIVSA-N 0 3 301.342 2.334 20 10 DECDHN CCOc1ccc(O)c(CN[C@@H](C)C(=O)NCc2ccco2)c1 ZINC000111398910 401714595 /nfs/dbraw/zinc/71/45/95/401714595.db2.gz COMZTJKRJXZAKB-LBPRGKRZSA-N 0 3 318.373 2.178 20 10 DECDHN CN(C)Cc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000122263337 402069350 /nfs/dbraw/zinc/06/93/50/402069350.db2.gz FJRNKMGMQKDFFH-UHFFFAOYSA-N 0 3 314.385 2.132 20 10 DECDHN C[C@@H]([NH2+]Cc1cccnc1N1CCOCC1)c1ccccc1[O-] ZINC000154031219 402188388 /nfs/dbraw/zinc/18/83/88/402188388.db2.gz PJWFHDVWZVAFPD-CQSZACIVSA-N 0 3 313.401 2.475 20 10 DECDHN C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(F)cc1[O-] ZINC000184983117 402314752 /nfs/dbraw/zinc/31/47/52/402314752.db2.gz SWNOIDPQQJXQLO-ZDUSSCGKSA-N 0 3 309.429 2.208 20 10 DECDHN CCN1CCN(CCC[NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000185014271 402317322 /nfs/dbraw/zinc/31/73/22/402317322.db2.gz ZFPGUJWDGSUUHK-CQSZACIVSA-N 0 3 309.429 2.210 20 10 DECDHN C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1cc(F)ccc1[O-] ZINC000186022187 402397163 /nfs/dbraw/zinc/39/71/63/402397163.db2.gz BERGZWDABHIXQJ-GZMMTYOYSA-N 0 3 320.286 2.345 20 10 DECDHN CCN(C)C(=O)C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000187676017 402507883 /nfs/dbraw/zinc/50/78/83/402507883.db2.gz SUQSYUUNRSJSHA-UHFFFAOYSA-N 0 3 315.211 2.031 20 10 DECDHN CCOc1cccc(CN(C)CCN2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000193399159 402770812 /nfs/dbraw/zinc/77/08/12/402770812.db2.gz CRMLFKBRUFVIAQ-GASCZTMLSA-N 0 3 322.449 2.332 20 10 DECDHN CN(C)c1ccc(CNC(=O)C2CCN(C3CC3)CC2)cc1F ZINC000195393339 402844373 /nfs/dbraw/zinc/84/43/73/402844373.db2.gz ZKEJBLCTLZJTGI-UHFFFAOYSA-N 0 3 319.424 2.382 20 10 DECDHN COC[C@@H](CO)[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000280884143 403046709 /nfs/dbraw/zinc/04/67/09/403046709.db2.gz DQXGPNDDUQGJDE-MWLCHTKSSA-N 0 3 318.211 2.121 20 10 DECDHN COC[C@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000280884144 403046890 /nfs/dbraw/zinc/04/68/90/403046890.db2.gz DQXGPNDDUQGJDE-ONGXEEELSA-N 0 3 318.211 2.121 20 10 DECDHN Cc1ccc([O-])c(C[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)c1 ZINC000269911209 403175150 /nfs/dbraw/zinc/17/51/50/403175150.db2.gz IHHBXTXYVRZLEQ-FUHWJXTLSA-N 0 3 301.386 2.275 20 10 DECDHN CCOC(CC[NH2+]Cc1cc(OC)c(OC)cc1[O-])OCC ZINC000276157443 403150013 /nfs/dbraw/zinc/15/00/13/403150013.db2.gz HFJDWHRTGKZTFI-UHFFFAOYSA-N 0 3 313.394 2.288 20 10 DECDHN CCNC(=O)C1(CNCc2ccc(N(C)C)c(F)c2)CCC1 ZINC000277436136 403217491 /nfs/dbraw/zinc/21/74/91/403217491.db2.gz NWHXQFCCBSLSSD-UHFFFAOYSA-N 0 3 307.413 2.288 20 10 DECDHN CCCOc1ccc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c([O-])c1 ZINC000276797623 403194343 /nfs/dbraw/zinc/19/43/43/403194343.db2.gz MAPCTJMPMZFCQL-OAHLLOKOSA-N 0 3 318.417 2.378 20 10 DECDHN CCCOc1ccc(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)c([O-])c1 ZINC000276797623 403194346 /nfs/dbraw/zinc/19/43/46/403194346.db2.gz MAPCTJMPMZFCQL-OAHLLOKOSA-N 0 3 318.417 2.378 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CCC3(C2)CCOCC3)cc1OC ZINC000271090744 403263285 /nfs/dbraw/zinc/26/32/85/403263285.db2.gz KWXBMONBRPELEK-UHFFFAOYSA-N 0 3 307.390 2.412 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CCC3(C2)CCOCC3)cc1OC ZINC000271090744 403263286 /nfs/dbraw/zinc/26/32/86/403263286.db2.gz KWXBMONBRPELEK-UHFFFAOYSA-N 0 3 307.390 2.412 20 10 DECDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](C)N2CCN(C)CC2)c([O-])c1 ZINC000293635023 403524643 /nfs/dbraw/zinc/52/46/43/403524643.db2.gz HTIOVIKEDSEXCT-HZPDHXFCSA-N 0 3 305.466 2.296 20 10 DECDHN Cc1cc(CN2CC[C@@H](NC(=O)NC3CC3)C2)ccc1N(C)C ZINC000294427822 403719216 /nfs/dbraw/zinc/71/92/16/403719216.db2.gz DUTZSLRPSWBBOK-MRXNPFEDSA-N 0 3 316.449 2.097 20 10 DECDHN CCc1nn(C)c(OC)c1CN[C@H]1CCc2cccc(O)c21 ZINC000296954310 404388122 /nfs/dbraw/zinc/38/81/22/404388122.db2.gz QWVCWXIOFYPIAL-AWEZNQCLSA-N 0 3 301.390 2.474 20 10 DECDHN C[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(F)cc1[O-] ZINC000185366812 333207703 /nfs/dbraw/zinc/20/77/03/333207703.db2.gz LVLCIVBALZTVFJ-CQSZACIVSA-N 0 3 309.429 2.210 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1[O-] ZINC000359871123 337440030 /nfs/dbraw/zinc/44/00/30/337440030.db2.gz MMPZARMBKYIZCE-OASPWFOLSA-N 0 3 324.808 2.153 20 10 DECDHN [O-]c1cc2c(cc1C[NH+]1CCC(c3cn[nH]c3)CC1)OCO2 ZINC000371380961 534448899 /nfs/dbraw/zinc/44/88/99/534448899.db2.gz CBFDQAPETKRWRE-UHFFFAOYSA-N 0 3 301.346 2.224 20 10 DECDHN Oc1cc2c(cc1CN1CCC(c3cn[nH]c3)CC1)OCO2 ZINC000371380961 534448906 /nfs/dbraw/zinc/44/89/06/534448906.db2.gz CBFDQAPETKRWRE-UHFFFAOYSA-N 0 3 301.346 2.224 20 10 DECDHN CCOCc1cc(CN[C@@](C)(CCO)COC)ccc1OC ZINC000267370121 520185673 /nfs/dbraw/zinc/18/56/73/520185673.db2.gz PORXYMTXWPZQLF-KRWDZBQOSA-N 0 3 311.422 2.109 20 10 DECDHN CN(C)c1ccc(CN2CCN(C3CCOCC3)CC2)cc1F ZINC000129749577 522179140 /nfs/dbraw/zinc/17/91/40/522179140.db2.gz OBSUTFMVMLDZSA-UHFFFAOYSA-N 0 3 321.440 2.188 20 10 DECDHN COc1cc(CNCc2cccc(OC)c2O)cc2c1OCO2 ZINC000265112811 522466970 /nfs/dbraw/zinc/46/69/70/522466970.db2.gz XNBXFFDMRHGWIX-UHFFFAOYSA-N 0 3 317.341 2.428 20 10 DECDHN COC(=O)C[C@@](C)(NCc1cc(F)ccc1O)c1ccncc1 ZINC000190022587 523310290 /nfs/dbraw/zinc/31/02/90/523310290.db2.gz PGYSAESFYIYLLS-QGZVFWFLSA-N 0 3 318.348 2.494 20 10 DECDHN C[C@H](CN1CCCCC1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180925249 524327770 /nfs/dbraw/zinc/32/77/70/524327770.db2.gz ZRMIRCPRCUBHIE-STMXVASLSA-N 0 3 304.390 2.102 20 10 DECDHN Cc1nn(C)cc1[C@@H]1CCCN1Cc1cc2c(cc1O)OCO2 ZINC000372741616 534845361 /nfs/dbraw/zinc/84/53/61/534845361.db2.gz QJCYLMMZNMPEDC-AWEZNQCLSA-N 0 3 315.373 2.500 20 10 DECDHN Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c([O-])c1O ZINC000182318278 526100741 /nfs/dbraw/zinc/10/07/41/526100741.db2.gz CUQQPWNWISBCFR-CQSZACIVSA-N 0 3 318.417 2.497 20 10 DECDHN CCC[N@H+](CCN1C[C@H]2CC[C@@H](C1)O2)Cc1ccccc1[O-] ZINC000373213898 528087131 /nfs/dbraw/zinc/08/71/31/528087131.db2.gz BRTQIKIEBATVCD-CALCHBBNSA-N 0 3 304.434 2.467 20 10 DECDHN CCC[N@@H+](CCN1C[C@H]2CC[C@@H](C1)O2)Cc1ccccc1[O-] ZINC000373213898 528087135 /nfs/dbraw/zinc/08/71/35/528087135.db2.gz BRTQIKIEBATVCD-CALCHBBNSA-N 0 3 304.434 2.467 20 10 DECDHN CCOc1cccc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c1[O-] ZINC000374272511 528656233 /nfs/dbraw/zinc/65/62/33/528656233.db2.gz QYMURUAGVNRRPQ-PBHICJAKSA-N 0 3 307.390 2.219 20 10 DECDHN CC(C)N1CC[C@@H](NC/C=C\c2ccc(N(C)C)cc2)C1=O ZINC000835040047 649870405 /nfs/dbraw/zinc/87/04/05/649870405.db2.gz MZAVGVOPSCWADV-KEGWNNHHSA-N 0 3 301.434 2.365 20 10 DECDHN COCn1ncc(C)c1CNCc1ccc(N(C)C)cc1C ZINC001327631594 1148602520 /nfs/dbraw/zinc/60/25/20/1148602520.db2.gz GVXZZFPXIDMDKB-UHFFFAOYSA-N 0 3 302.422 2.460 20 10 DECDHN CN(C)[C@@H](CNC(=O)c1cccc(O)c1O)c1ccccc1 ZINC000188055795 625441565 /nfs/dbraw/zinc/44/15/65/625441565.db2.gz QUIWUBZONWRYBQ-AWEZNQCLSA-N 0 3 300.358 2.131 20 10 DECDHN COC/C(C)=C/C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246167 623790138 /nfs/dbraw/zinc/79/01/38/623790138.db2.gz MTUUSULDGGUKPI-GWKQRERASA-N 0 3 319.449 2.064 20 10 DECDHN COC(C)(C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891249008 623795484 /nfs/dbraw/zinc/79/54/84/623795484.db2.gz OXSDETQGESQKIW-MRXNPFEDSA-N 0 3 321.465 2.287 20 10 DECDHN CCOC(=O)[C@@H]1CCCN(Cc2ccc(OC)c(OC)c2O)C1 ZINC000891389026 624136471 /nfs/dbraw/zinc/13/64/71/624136471.db2.gz AFHUWGVYQBCVNU-CYBMUJFWSA-N 0 3 323.389 2.185 20 10 DECDHN C[C@@H]1C[C@H]1CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000892060378 624767008 /nfs/dbraw/zinc/76/70/08/624767008.db2.gz JMTPMDZXRYWZGE-UKPHBRMFSA-N 0 3 318.465 2.311 20 10 DECDHN COc1cc(Br)cc(C[NH2+]C[C@H](O)C2CC2)c1[O-] ZINC000734844565 633430593 /nfs/dbraw/zinc/43/05/93/633430593.db2.gz NTVOFWUOYYSNLD-NSHDSACASA-N 0 3 316.195 2.024 20 10 DECDHN O=C1O[C@@H](CNCc2ccc3c(c2)CCCO3)CN1C1CC1 ZINC000922226146 636013242 /nfs/dbraw/zinc/01/32/42/636013242.db2.gz ISIFSCBPUPNDHU-HNNXBMFYSA-N 0 3 302.374 2.084 20 10 DECDHN CCN1CCC[C@H](NC/C=C/c2ccc(N(C)C)cc2)C1=O ZINC000922639327 636290700 /nfs/dbraw/zinc/29/07/00/636290700.db2.gz NNKSNVNNRVHGPL-UABRLCRWSA-N 0 3 301.434 2.366 20 10 DECDHN C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc(O)c2[O-])C1 ZINC000187004985 636666075 /nfs/dbraw/zinc/66/60/75/636666075.db2.gz GZWUSUPOJIEVNU-LBPRGKRZSA-N 0 3 306.406 2.338 20 10 DECDHN C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc(O)c2[O-])C1 ZINC000187004985 636666077 /nfs/dbraw/zinc/66/60/77/636666077.db2.gz GZWUSUPOJIEVNU-LBPRGKRZSA-N 0 3 306.406 2.338 20 10 DECDHN CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC000923190536 637021475 /nfs/dbraw/zinc/02/14/75/637021475.db2.gz OSYJGQRUSYAAQZ-NSHDSACASA-N 0 3 309.385 2.203 20 10 DECDHN CC(C)(C)[N@H+]1CC[C@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC000923190536 637021478 /nfs/dbraw/zinc/02/14/78/637021478.db2.gz OSYJGQRUSYAAQZ-NSHDSACASA-N 0 3 309.385 2.203 20 10 DECDHN CC[C@H](NCCS(=O)(=O)C1CC1)c1ccc(N(C)C)cc1 ZINC000840881131 650371040 /nfs/dbraw/zinc/37/10/40/650371040.db2.gz XTAKTONGFBLJQQ-INIZCTEOSA-N 0 3 310.463 2.371 20 10 DECDHN CCO/C=C/[C@](O)(C[NH2+]Cc1cc(F)ccc1[O-])C(F)(F)F ZINC000895712223 638158157 /nfs/dbraw/zinc/15/81/57/638158157.db2.gz ZIHWBXSRITYDSZ-GFUIURDCSA-N 0 3 323.286 2.465 20 10 DECDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000895716927 638160595 /nfs/dbraw/zinc/16/05/95/638160595.db2.gz NEKCSWAIFVVZQY-MRXNPFEDSA-N 0 3 301.434 2.162 20 10 DECDHN C[C@H](NC(=O)N1C[C@@H](C)NC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000841881665 650591061 /nfs/dbraw/zinc/59/10/61/650591061.db2.gz BKXYFDBNSVNLNX-MCIONIFRSA-N 0 3 304.438 2.205 20 10 DECDHN C[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCC[NH2+]C1 ZINC000841034899 640884554 /nfs/dbraw/zinc/88/45/54/640884554.db2.gz XVSDZAVWCXWNAU-VHSXEESVSA-N 0 3 313.785 2.432 20 10 DECDHN CCOc1ccc(C[NH2+]CCc2cn3c(n2)SCC3)c([O-])c1 ZINC000767190472 640953464 /nfs/dbraw/zinc/95/34/64/640953464.db2.gz XCRSFDQZMSBKBX-UHFFFAOYSA-N 0 3 319.430 2.425 20 10 DECDHN CN(C[C@@H]1CCCN1C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897999988 640988927 /nfs/dbraw/zinc/98/89/27/640988927.db2.gz JCYPGWMEYVIPLY-NSHDSACASA-N 0 3 320.414 2.479 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@]3(CCCOC3)C1)[C@H](O)CO2 ZINC000768464748 641084315 /nfs/dbraw/zinc/08/43/15/641084315.db2.gz UHRJSDZGHGAOFF-AEFFLSMTSA-N 0 3 319.401 2.211 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@]3(CCCOC3)C1)[C@H](O)CO2 ZINC000768464748 641084319 /nfs/dbraw/zinc/08/43/19/641084319.db2.gz UHRJSDZGHGAOFF-AEFFLSMTSA-N 0 3 319.401 2.211 20 10 DECDHN C[N@H+](CCC1CCOCC1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768463704 641084395 /nfs/dbraw/zinc/08/43/95/641084395.db2.gz LLNWMVIJHDDXLF-MRXNPFEDSA-N 0 3 307.390 2.067 20 10 DECDHN C[N@@H+](CCC1CCOCC1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768463704 641084398 /nfs/dbraw/zinc/08/43/98/641084398.db2.gz LLNWMVIJHDDXLF-MRXNPFEDSA-N 0 3 307.390 2.067 20 10 DECDHN CCOc1ccc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c([O-])c1 ZINC000770752326 641416429 /nfs/dbraw/zinc/41/64/29/641416429.db2.gz MHVPCAMJTCQCRU-WMLDXEAASA-N 0 3 307.390 2.219 20 10 DECDHN COC1(OC)CC[C@H]1NCc1ccc(N2CCSCC2)cc1 ZINC000924709701 641613857 /nfs/dbraw/zinc/61/38/57/641613857.db2.gz ZAENAASHEZXMJV-MRXNPFEDSA-N 0 3 322.474 2.481 20 10 DECDHN CCn1ccnc1CNC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898452491 641666650 /nfs/dbraw/zinc/66/66/50/641666650.db2.gz YSSARQCIKLTWBX-QGZVFWFLSA-N 0 3 315.465 2.362 20 10 DECDHN C[C@H](N[C@@H](Cc1ccccc1)C(N)=O)c1ccc(N(C)C)cc1 ZINC000774480043 641908922 /nfs/dbraw/zinc/90/89/22/641908922.db2.gz YVQHQCMPRRKLPY-KSSFIOAISA-N 0 3 311.429 2.500 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCOCC3(CCCC3)C1)[C@@H](O)CO2 ZINC000774654466 641937447 /nfs/dbraw/zinc/93/74/47/641937447.db2.gz DRMJOAIZCOBWGG-INIZCTEOSA-N 0 3 319.401 2.211 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCOCC3(CCCC3)C1)[C@@H](O)CO2 ZINC000774654466 641937452 /nfs/dbraw/zinc/93/74/52/641937452.db2.gz DRMJOAIZCOBWGG-INIZCTEOSA-N 0 3 319.401 2.211 20 10 DECDHN Cc1cc(Br)cc(C[NH2+][C@H](CO)C2CC2)c1[O-] ZINC000776178045 642139863 /nfs/dbraw/zinc/13/98/63/642139863.db2.gz ZBMZITKQRBNOKH-GFCCVEGCSA-N 0 3 300.196 2.324 20 10 DECDHN CC(C)NC(=S)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899723637 642149604 /nfs/dbraw/zinc/14/96/04/642149604.db2.gz CJHGYBUQGSEUOG-HNNXBMFYSA-N 0 3 308.495 2.228 20 10 DECDHN O=C([C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1)N1CCCC1 ZINC000779016750 642456017 /nfs/dbraw/zinc/45/60/17/642456017.db2.gz GGCDOGDNTZTOKO-CYBMUJFWSA-N 0 3 306.381 2.366 20 10 DECDHN O=C([C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1)N1CCCC1 ZINC000779016750 642456020 /nfs/dbraw/zinc/45/60/20/642456020.db2.gz GGCDOGDNTZTOKO-CYBMUJFWSA-N 0 3 306.381 2.366 20 10 DECDHN CCOc1cccc(CN2CCC(O)(C(F)F)CC2)c1O ZINC000779207063 642472475 /nfs/dbraw/zinc/47/24/75/642472475.db2.gz LHDXNYAWBWBGGH-UHFFFAOYSA-N 0 3 301.333 2.383 20 10 DECDHN CCOc1ccc(C[NH2+][C@]2(CO)C[C@@H](OCC)C2(C)C)c([O-])c1 ZINC000780593261 642648084 /nfs/dbraw/zinc/64/80/84/642648084.db2.gz CXYIBFVSWCZTSV-AEFFLSMTSA-N 0 3 323.433 2.447 20 10 DECDHN COc1cc(CN(C)CCNC(C)=O)c(O)c(C(C)(C)C)c1 ZINC000842631587 650789742 /nfs/dbraw/zinc/78/97/42/650789742.db2.gz OWYDEJPQHIULMQ-UHFFFAOYSA-N 0 3 308.422 2.266 20 10 DECDHN [O-]c1ccc(Br)cc1CN[C@@H]1C[NH2+]CCC1(F)F ZINC000841074112 643139807 /nfs/dbraw/zinc/13/98/07/643139807.db2.gz BRRJEZKAGNCIKQ-LLVKDONJSA-N 0 3 321.165 2.242 20 10 DECDHN [O-]c1cccc2c1[C@@H]([NH2+]CC1(C3(O)CCOCC3)CC1)CC2 ZINC000903347473 643322405 /nfs/dbraw/zinc/32/24/05/643322405.db2.gz OQCGCOWSPBPYJQ-AWEZNQCLSA-N 0 3 303.402 2.291 20 10 DECDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])[C@H](O)c1ccc2c(c1)OCO2 ZINC000787323737 643481701 /nfs/dbraw/zinc/48/17/01/643481701.db2.gz QETIBZYGMCXYEF-BTDLBPIBSA-N 0 3 319.332 2.472 20 10 DECDHN CCOCc1cc(CNCc2cc(N)ccn2)ccc1OC ZINC000903950663 643526551 /nfs/dbraw/zinc/52/65/51/643526551.db2.gz QBVZKATVPYZUED-UHFFFAOYSA-N 0 3 301.390 2.499 20 10 DECDHN [O-]c1cccc(Cl)c1CN[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974386 643531754 /nfs/dbraw/zinc/53/17/54/643531754.db2.gz PNTMEOTXOJFHQX-LBPRGKRZSA-N 0 3 310.825 2.294 20 10 DECDHN COc1cc(C)cc(CN2C[C@@H](C)OC3(CCOCC3)C2)c1O ZINC000790388684 643846057 /nfs/dbraw/zinc/84/60/57/643846057.db2.gz CFYHPOLGHVFOPE-CQSZACIVSA-N 0 3 321.417 2.479 20 10 DECDHN COc1ccc(C[NH2+]Cc2ccccc2-n2cncn2)c([O-])c1 ZINC000793387633 644243784 /nfs/dbraw/zinc/24/37/84/644243784.db2.gz IZNQMKCDSVLGSG-UHFFFAOYSA-N 0 3 310.357 2.271 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](c3ccccn3)C1)[C@H](O)CO2 ZINC000799158396 645136009 /nfs/dbraw/zinc/13/60/09/645136009.db2.gz KGVNKWFLMZVATO-SJKOYZFVSA-N 0 3 312.369 2.203 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](c3ccccn3)C1)[C@H](O)CO2 ZINC000799158396 645136012 /nfs/dbraw/zinc/13/60/12/645136012.db2.gz KGVNKWFLMZVATO-SJKOYZFVSA-N 0 3 312.369 2.203 20 10 DECDHN CCCN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@H]1CCN(C)C1 ZINC000843989481 651059211 /nfs/dbraw/zinc/05/92/11/651059211.db2.gz OMAWGSXCPJHBSH-VSKVDJIOSA-N 0 3 304.390 2.054 20 10 DECDHN CO[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1(C)C ZINC000840122197 646003621 /nfs/dbraw/zinc/00/36/21/646003621.db2.gz BECQYQOBXBLXQX-HOCLYGCPSA-N 0 3 307.390 2.065 20 10 DECDHN CO[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1(C)C ZINC000840122197 646003629 /nfs/dbraw/zinc/00/36/29/646003629.db2.gz BECQYQOBXBLXQX-HOCLYGCPSA-N 0 3 307.390 2.065 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](CC(N)=O)C3)c2c1 ZINC000808228094 646058800 /nfs/dbraw/zinc/05/88/00/646058800.db2.gz FVNFGEVHCJTGPZ-LBPRGKRZSA-N 0 3 314.385 2.251 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](CC(N)=O)C3)c2c1 ZINC000808228094 646058803 /nfs/dbraw/zinc/05/88/03/646058803.db2.gz FVNFGEVHCJTGPZ-LBPRGKRZSA-N 0 3 314.385 2.251 20 10 DECDHN CC[C@H]([NH2+]C[C@H](O)CN(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810216211 646339653 /nfs/dbraw/zinc/33/96/53/646339653.db2.gz FUHSPPDKVNRHJM-AAEUAGOBSA-N 0 3 320.355 2.374 20 10 DECDHN CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+]Cc1ccccc1[O-] ZINC000227702086 646605822 /nfs/dbraw/zinc/60/58/22/646605822.db2.gz JXLAIDPDBFMCIW-AWEZNQCLSA-N 0 3 322.405 2.118 20 10 DECDHN COc1cc(Cl)cc(CN[C@H](C)C(=O)NC(C)C)c1O ZINC000229054077 646664235 /nfs/dbraw/zinc/66/42/35/646664235.db2.gz YKXZRRWTIXUFFR-SECBINFHSA-N 0 3 300.786 2.057 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@H](C)C(=O)NC(C)C)c1[O-] ZINC000229054077 646664238 /nfs/dbraw/zinc/66/42/38/646664238.db2.gz YKXZRRWTIXUFFR-SECBINFHSA-N 0 3 300.786 2.057 20 10 DECDHN COc1ccc(O)c([C@H](C)NCc2ccc(C(=O)N(C)C)[nH]2)c1 ZINC000813330683 646757115 /nfs/dbraw/zinc/75/71/15/646757115.db2.gz CUMTYMKPKAYTSM-NSHDSACASA-N 0 3 317.389 2.282 20 10 DECDHN [O-]c1c(C[NH2+]C[C@H]2CN3CCC[C@@H]3CO2)ccc2ccccc21 ZINC000816548479 647150756 /nfs/dbraw/zinc/15/07/56/647150756.db2.gz JGEQCWVDZOVVJL-SJORKVTESA-N 0 3 312.413 2.498 20 10 DECDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2(N)CCCCC2)c1 ZINC000817938858 647388308 /nfs/dbraw/zinc/38/83/08/647388308.db2.gz UOZHICWUJHKPMV-LBPRGKRZSA-N 0 3 306.406 2.491 20 10 DECDHN CC[C@H]([NH2+]C[C@@H]1CNCCO1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817982805 647400037 /nfs/dbraw/zinc/40/00/37/647400037.db2.gz HNAVQXLFVZVPBQ-AAEUAGOBSA-N 0 3 318.339 2.440 20 10 DECDHN C[C@H](N[C@@H]1CC[C@H]1O)c1ccc(N2CCOCC2)cc1Cl ZINC000818357562 647457434 /nfs/dbraw/zinc/45/74/34/647457434.db2.gz AHMBTGCDCPKHFV-IUIKQTSFSA-N 0 3 310.825 2.351 20 10 DECDHN Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCCN2CCCO)c1[O-] ZINC000824564986 648611189 /nfs/dbraw/zinc/61/11/89/648611189.db2.gz POOJCGSXHRQGLX-OAHLLOKOSA-N 0 3 312.841 2.290 20 10 DECDHN COc1c([O-])c(C[N@H+](C)[C@H]2CCN(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000825338381 648745062 /nfs/dbraw/zinc/74/50/62/648745062.db2.gz PQPATSBGHIQISO-ZDUSSCGKSA-N 0 3 323.393 2.224 20 10 DECDHN COc1c([O-])c(C[N@@H+](C)[C@H]2CCN(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000825338381 648745067 /nfs/dbraw/zinc/74/50/67/648745067.db2.gz PQPATSBGHIQISO-ZDUSSCGKSA-N 0 3 323.393 2.224 20 10 DECDHN C[C@@H]1CN(CCO)CCN1Cc1ccc(N2CCCCC2)cc1 ZINC000825338613 648745235 /nfs/dbraw/zinc/74/52/35/648745235.db2.gz RBWFKTNYKYGMPQ-QGZVFWFLSA-N 0 3 317.477 2.175 20 10 DECDHN CCN(CC)c1ccc(CN(C)C(=O)[C@H](N)CC(F)F)cc1 ZINC000826020825 648839851 /nfs/dbraw/zinc/83/98/51/648839851.db2.gz XKGMGSCQYFHRIM-CQSZACIVSA-N 0 3 313.392 2.474 20 10 DECDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c1[O-] ZINC000826846075 648935222 /nfs/dbraw/zinc/93/52/22/648935222.db2.gz PEBNHHZVEASSFE-LLVKDONJSA-N 0 3 322.796 2.168 20 10 DECDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)c1[O-] ZINC000826846075 648935226 /nfs/dbraw/zinc/93/52/26/648935226.db2.gz PEBNHHZVEASSFE-LLVKDONJSA-N 0 3 322.796 2.168 20 10 DECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000827687734 649068008 /nfs/dbraw/zinc/06/80/08/649068008.db2.gz ULJOMOQSKLKQCU-ZDUSSCGKSA-N 0 3 306.406 2.137 20 10 DECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000827687734 649068010 /nfs/dbraw/zinc/06/80/10/649068010.db2.gz ULJOMOQSKLKQCU-ZDUSSCGKSA-N 0 3 306.406 2.137 20 10 DECDHN O[C@@H]1COC[C@H]1NCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000830648755 649473358 /nfs/dbraw/zinc/47/33/58/649473358.db2.gz RRJFIJKWUHQKDG-UYAOXDASSA-N 0 3 324.424 2.099 20 10 DECDHN COC(=O)c1cc(CNCc2cc(OC)ccc2O)c(C)o1 ZINC000848897692 651549909 /nfs/dbraw/zinc/54/99/09/651549909.db2.gz STFVJUULQAAFGW-UHFFFAOYSA-N 0 3 305.330 2.379 20 10 DECDHN COc1ccc(N2CC[C@H](CNCc3nc(C)c[nH]3)C2)cc1 ZINC000850329932 651900024 /nfs/dbraw/zinc/90/00/24/651900024.db2.gz GJXKBNKWBTZZRF-CQSZACIVSA-N 0 3 300.406 2.343 20 10 DECDHN CCOc1ccc(O)c(CN[C@@H]2CCN(C3CCC3)C2=O)c1 ZINC000858341496 652312861 /nfs/dbraw/zinc/31/28/61/652312861.db2.gz BSXSWWHMAGMUPB-OAHLLOKOSA-N 0 3 304.390 2.034 20 10 DECDHN CCN(C)c1ccc(CN2CC[C@@H](N(C)C(=O)N(C)C)C2)cc1 ZINC000852652811 652433493 /nfs/dbraw/zinc/43/34/93/652433493.db2.gz FMNRPKJWDSCWCU-QGZVFWFLSA-N 0 3 318.465 2.330 20 10 DECDHN COc1cc(Br)cc(C[N@H+](C)[C@H]2CCOC2)c1[O-] ZINC000132040219 684204987 /nfs/dbraw/zinc/20/49/87/684204987.db2.gz NORBAMARSLGUNJ-NSHDSACASA-N 0 3 316.195 2.384 20 10 DECDHN COc1cc(Br)cc(C[N@@H+](C)[C@H]2CCOC2)c1[O-] ZINC000132040219 684204990 /nfs/dbraw/zinc/20/49/90/684204990.db2.gz NORBAMARSLGUNJ-NSHDSACASA-N 0 3 316.195 2.384 20 10 DECDHN COc1cccc(CN[C@](C)(CO)c2cccc(O)c2)c1O ZINC000862433244 686301969 /nfs/dbraw/zinc/30/19/69/686301969.db2.gz UHSYFRHATAZNMS-QGZVFWFLSA-N 0 3 303.358 2.104 20 10 DECDHN CC(C)CC[C@@H](N)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000876740276 689922852 /nfs/dbraw/zinc/92/28/52/689922852.db2.gz KJUBVMPIAOIDID-MRXNPFEDSA-N 0 3 303.450 2.449 20 10 DECDHN Cc1cccc(O)c1CNCCS(=O)(=O)c1ccccc1 ZINC000876962697 689984213 /nfs/dbraw/zinc/98/42/13/689984213.db2.gz UNMIARDLHISPEK-UHFFFAOYSA-N 0 3 305.399 2.264 20 10 DECDHN Cc1ccc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)c([O-])c1 ZINC000877556965 690151121 /nfs/dbraw/zinc/15/11/21/690151121.db2.gz LOJPWCMIFKDXEV-AWEZNQCLSA-N 0 3 317.410 2.361 20 10 DECDHN Cc1cccc([O-])c1C[NH2+]CC(C)(C)[C@H]1COCC12OCCO2 ZINC000877584383 690159037 /nfs/dbraw/zinc/15/90/37/690159037.db2.gz DVCJCVLKFIHJEN-MRXNPFEDSA-N 0 3 321.417 2.206 20 10 DECDHN Cc1ccc(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c([O-])c1 ZINC000877636084 690174396 /nfs/dbraw/zinc/17/43/96/690174396.db2.gz MNVYDGBTCYXUKW-QZTJIDSGSA-N 0 3 316.445 2.434 20 10 DECDHN COc1cccc(CN2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1O ZINC000877693586 690193153 /nfs/dbraw/zinc/19/31/53/690193153.db2.gz LEPZZRGFEXCMFJ-WDEREUQCSA-N 0 3 305.296 2.003 20 10 DECDHN COc1ccc(N2CCN(CC[C@H]3CCOC3)CC2)c(OC)c1 ZINC000877708331 690198758 /nfs/dbraw/zinc/19/87/58/690198758.db2.gz IRCSCHHXQJWIOM-HNNXBMFYSA-N 0 3 320.433 2.252 20 10 DECDHN Cc1cccc([O-])c1C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000877808425 690237704 /nfs/dbraw/zinc/23/77/04/690237704.db2.gz LKHUBMDHQHIGEE-AGUYFDCRSA-N 0 3 309.431 2.146 20 10 DECDHN C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)c2c1c(F)ccc2[O-] ZINC000883374661 691492628 /nfs/dbraw/zinc/49/26/28/691492628.db2.gz KURDTOAYGIDGKA-QFOLPQNPSA-N 0 3 313.394 2.245 20 10 DECDHN NC(=O)C1CCN(c2ccc(CNCc3cccnc3)cc2)CC1 ZINC000886325872 692056759 /nfs/dbraw/zinc/05/67/59/692056759.db2.gz TWQXXMUFPPOCFG-UHFFFAOYSA-N 0 3 324.428 2.073 20 10 DECDHN CN(C)c1ccc(CN2CC[C@](CO)(C(F)(F)F)C2)cc1 ZINC000886810808 692196793 /nfs/dbraw/zinc/19/67/93/692196793.db2.gz DVAQWFFSKRTRRT-AWEZNQCLSA-N 0 3 302.340 2.499 20 10 DECDHN COc1ccc(CN[C@@H](CO)c2cccc(F)c2)c(O)c1OC ZINC001333680347 1150078374 /nfs/dbraw/zinc/07/83/74/1150078374.db2.gz QFSUPNITKVXDKG-AWEZNQCLSA-N 0 3 321.348 2.372 20 10 DECDHN COC(=O)N1CCC(N2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001172740857 793486702 /nfs/dbraw/zinc/48/67/02/793486702.db2.gz BDXDWXVNAGEJFZ-UHFFFAOYSA-N 0 3 320.389 2.077 20 10 DECDHN COc1cc(C)c(C[NH2+][C@@H]2CCN(CC(F)F)C2)c([O-])c1 ZINC001182433874 795675702 /nfs/dbraw/zinc/67/57/02/795675702.db2.gz LDBBBJQUVCHTQI-LLVKDONJSA-N 0 3 300.349 2.138 20 10 DECDHN CC[NH+](CC)CCCN1CCN(Cc2c([O-])cccc2F)CC1 ZINC001137838706 796143684 /nfs/dbraw/zinc/14/36/84/796143684.db2.gz IEHHWUZYWWXIKZ-UHFFFAOYSA-N 0 3 323.456 2.381 20 10 DECDHN CC(=O)N(C)[C@@H]1CCN(Cc2ccc3c(c2)CCCN3C)C1 ZINC001138357056 796204078 /nfs/dbraw/zinc/20/40/78/796204078.db2.gz AGBVSSLUIAXVAN-QGZVFWFLSA-N 0 3 301.434 2.122 20 10 DECDHN CCOc1cccc(CN2CCN(CCC(C)(C)O)CC2)c1O ZINC001203614987 796234670 /nfs/dbraw/zinc/23/46/70/796234670.db2.gz JQBDFSYDRPDHHS-UHFFFAOYSA-N 0 3 322.449 2.070 20 10 DECDHN COc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c([O-])c1 ZINC001203630383 796329793 /nfs/dbraw/zinc/32/97/93/796329793.db2.gz RIKABAMTZVGASP-HNNXBMFYSA-N 0 3 318.417 2.235 20 10 DECDHN COc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c([O-])c1 ZINC001203630383 796329798 /nfs/dbraw/zinc/32/97/98/796329798.db2.gz RIKABAMTZVGASP-HNNXBMFYSA-N 0 3 318.417 2.235 20 10 DECDHN CN1CCN(c2ccc(CN3CCc4ncccc4C3)cc2)CC1 ZINC001139409773 796372613 /nfs/dbraw/zinc/37/26/13/796372613.db2.gz RYNJKYJZLGLETF-UHFFFAOYSA-N 0 3 322.456 2.392 20 10 DECDHN CCN1CCN(c2ccc(CN3C[C@H]4CC[C@@H]3CO4)cc2)CC1 ZINC001140309406 796505309 /nfs/dbraw/zinc/50/53/09/796505309.db2.gz FLBGDPPFZCJOAI-RTBURBONSA-N 0 3 315.461 2.192 20 10 DECDHN C[C@@H]1CC[C@@H](CO)CN1Cc1ccc(N2CCOCC2)cc1F ZINC001140660142 796552284 /nfs/dbraw/zinc/55/22/84/796552284.db2.gz HIKJGUCWWBEIQF-HUUCEWRRSA-N 0 3 322.424 2.255 20 10 DECDHN Fc1cc(N2CCOCC2)ccc1CN1CC[C@H]2OCC[C@@H]2C1 ZINC001140664582 796552928 /nfs/dbraw/zinc/55/29/28/796552928.db2.gz MOJXDXGFXOEZBR-CRAIPNDOSA-N 0 3 320.408 2.273 20 10 DECDHN COc1cc([O-])c(C[N@H+](C)CCc2ccncc2)c(OC)c1 ZINC001141028185 796619985 /nfs/dbraw/zinc/61/99/85/796619985.db2.gz FGLQSDAUESBQIU-UHFFFAOYSA-N 0 3 302.374 2.479 20 10 DECDHN COc1cc([O-])c(C[N@@H+](C)CCc2ccncc2)c(OC)c1 ZINC001141028185 796619987 /nfs/dbraw/zinc/61/99/87/796619987.db2.gz FGLQSDAUESBQIU-UHFFFAOYSA-N 0 3 302.374 2.479 20 10 DECDHN COc1cc([O-])c(C[N@H+](C)CCc2ccccn2)c(OC)c1 ZINC001141031268 796621637 /nfs/dbraw/zinc/62/16/37/796621637.db2.gz AUBFTZJCJIMPCA-UHFFFAOYSA-N 0 3 302.374 2.479 20 10 DECDHN COc1cc([O-])c(C[N@@H+](C)CCc2ccccn2)c(OC)c1 ZINC001141031268 796621639 /nfs/dbraw/zinc/62/16/39/796621639.db2.gz AUBFTZJCJIMPCA-UHFFFAOYSA-N 0 3 302.374 2.479 20 10 DECDHN O=C(c1ccco1)N1C[C@H]2C[NH+](Cc3ccccc3[O-])C[C@@H]2C1 ZINC001203552921 800078020 /nfs/dbraw/zinc/07/80/20/800078020.db2.gz VKMWMRSSICYDHF-HUUCEWRRSA-N 0 3 312.369 2.189 20 10 DECDHN [O-]c1ccccc1C[NH+]1C[C@@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001203552373 800078074 /nfs/dbraw/zinc/07/80/74/800078074.db2.gz LIKVJJMFHCPTRO-HUUCEWRRSA-N 0 3 315.442 2.413 20 10 DECDHN O=C(c1cccnc1)N1CCC2(CN(Cc3ccccc3O)C2)C1 ZINC001203555523 800078138 /nfs/dbraw/zinc/07/81/38/800078138.db2.gz BSYHYVQPILQKJP-UHFFFAOYSA-N 0 3 323.396 2.135 20 10 DECDHN CO[C@@H]1CN(Cc2ccccc2O)C[C@@H]1NC(=O)OC(C)(C)C ZINC001203562211 800080185 /nfs/dbraw/zinc/08/01/85/800080185.db2.gz FGCSKJAOMRIZFI-DZGCQCFKSA-N 0 3 322.405 2.116 20 10 DECDHN COc1ccc(C[N@@H+]2CCC[C@@]3(CCCC(=O)N3)C2)c([O-])c1 ZINC001203623179 800093040 /nfs/dbraw/zinc/09/30/40/800093040.db2.gz LSXHSMLPZLITDU-KRWDZBQOSA-N 0 3 304.390 2.036 20 10 DECDHN COc1ccc(C[N@H+]2CCC[C@@]3(CCCC(=O)N3)C2)c([O-])c1 ZINC001203623179 800093049 /nfs/dbraw/zinc/09/30/49/800093049.db2.gz LSXHSMLPZLITDU-KRWDZBQOSA-N 0 3 304.390 2.036 20 10 DECDHN [O-]c1ccc(Cl)cc1CN1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001203665527 800101758 /nfs/dbraw/zinc/10/17/58/800101758.db2.gz NVUCFQLZIGCVEB-HNNXBMFYSA-N 0 3 310.825 2.342 20 10 DECDHN CC[C@@H]1[N@H+](Cc2ccc(O)cc2[O-])CCC[C@]12CCC(=O)N2C ZINC001204273361 800197591 /nfs/dbraw/zinc/19/75/91/800197591.db2.gz ARQJRTUCDFGYJJ-WMZOPIPTSA-N 0 3 318.417 2.463 20 10 DECDHN CC[C@@H]1[N@@H+](Cc2ccc(O)cc2[O-])CCC[C@]12CCC(=O)N2C ZINC001204273361 800197594 /nfs/dbraw/zinc/19/75/94/800197594.db2.gz ARQJRTUCDFGYJJ-WMZOPIPTSA-N 0 3 318.417 2.463 20 10 DECDHN CC(=O)N1CCCC[C@]12CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204275280 800197629 /nfs/dbraw/zinc/19/76/29/800197629.db2.gz NRVPHSQCHBAKIC-QGZVFWFLSA-N 0 3 304.390 2.075 20 10 DECDHN CC(=O)N1CCCC[C@]12CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204275280 800197632 /nfs/dbraw/zinc/19/76/32/800197632.db2.gz NRVPHSQCHBAKIC-QGZVFWFLSA-N 0 3 304.390 2.075 20 10 DECDHN CCc1noc([C@@H]2CCC[N@H+](Cc3ccc(O)cc3[O-])C2)n1 ZINC001204281065 800200522 /nfs/dbraw/zinc/20/05/22/800200522.db2.gz PBADIFDGDGMPME-GFCCVEGCSA-N 0 3 303.362 2.423 20 10 DECDHN CCc1noc([C@@H]2CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)n1 ZINC001204281065 800200529 /nfs/dbraw/zinc/20/05/29/800200529.db2.gz PBADIFDGDGMPME-GFCCVEGCSA-N 0 3 303.362 2.423 20 10 DECDHN COc1ccc(Br)c(CN2CCC[C@@H]2CO)c1O ZINC001231550748 801686915 /nfs/dbraw/zinc/68/69/15/801686915.db2.gz QEWNZADUBLTQKK-SECBINFHSA-N 0 3 316.195 2.120 20 10 DECDHN OC[C@H]1CCCN1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232195827 801814956 /nfs/dbraw/zinc/81/49/56/801814956.db2.gz YZUYIIAPJGZHPB-CQSZACIVSA-N 0 3 310.825 2.133 20 10 DECDHN CCOC(=O)c1c(CN2C[C@H](C)[C@H](O)C2)c2ccccc2n1C ZINC001233270500 802060172 /nfs/dbraw/zinc/06/01/72/802060172.db2.gz PSTASEMSKVNPCH-BLLLJJGKSA-N 0 3 316.401 2.168 20 10 DECDHN COC(=O)[C@H]1CN(Cc2cc(C(C)(C)C)ccc2O)CCCO1 ZINC001233287067 802064187 /nfs/dbraw/zinc/06/41/87/802064187.db2.gz VJMJKFUCLSJSSR-MRXNPFEDSA-N 0 3 321.417 2.454 20 10 DECDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@@H]3CCC[NH2+]C3)cccc21 ZINC001217960645 802124851 /nfs/dbraw/zinc/12/48/51/802124851.db2.gz RPBLZGWMIOZRKX-LLVKDONJSA-N 0 3 323.348 2.298 20 10 DECDHN CC(C)(C)OC(=O)[C@@H]1CCCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233485436 802126977 /nfs/dbraw/zinc/12/69/77/802126977.db2.gz VVSROBPQSRZKHY-LLVKDONJSA-N 0 3 323.389 2.357 20 10 DECDHN O=c1cc2[nH]cnc(O[C@@H]3CNCc4ccccc43)c-2cc1O ZINC001218490066 802189782 /nfs/dbraw/zinc/18/97/82/802189782.db2.gz QTWUOAIVTQYHGU-MRXNPFEDSA-N 0 3 309.325 2.264 20 10 DECDHN O=C(Cc1ccc(O)c(O)c1)N1CCN(C2CCCCC2)CC1 ZINC001466283484 1059444622 /nfs/dbraw/zinc/44/46/22/1059444622.db2.gz BHSTWKXDVCGVEG-UHFFFAOYSA-N 0 3 318.417 2.117 20 10 DECDHN CN1CCN(c2ccc(CNCc3cccnc3)cc2F)CC1 ZINC001473913950 1060770766 /nfs/dbraw/zinc/77/07/66/1060770766.db2.gz QYWZSRIQCXHHSK-UHFFFAOYSA-N 0 3 314.408 2.262 20 10 DECDHN COc1cc(C)c(C[NH2+][C@H](CO)Cc2ccccc2)c([O-])c1 ZINC001474452043 1060872312 /nfs/dbraw/zinc/87/23/12/1060872312.db2.gz BOBOODDQBIWUAY-HNNXBMFYSA-N 0 3 301.386 2.402 20 10 DECDHN CCOC(=O)[C@H](C)C1CN(Cc2c(C)cc(OC)cc2O)C1 ZINC001474697931 1060920095 /nfs/dbraw/zinc/92/00/95/1060920095.db2.gz FVJKLCUCKOAHAT-GFCCVEGCSA-N 0 3 307.390 2.340 20 10 DECDHN O=C(NCc1c([O-])cccc1F)[C@H]1C[NH2+]Cc2ccccc21 ZINC001580708889 1075979857 /nfs/dbraw/zinc/97/98/57/1075979857.db2.gz XNNQZOHTBJBKBP-ZDUSSCGKSA-N 0 3 300.333 2.035 20 10 DECDHN O=C(NCc1c(O)cccc1F)[C@H]1CNCc2ccccc21 ZINC001580708889 1075979863 /nfs/dbraw/zinc/97/98/63/1075979863.db2.gz XNNQZOHTBJBKBP-ZDUSSCGKSA-N 0 3 300.333 2.035 20 10 DECDHN CN(C)[C@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001587215351 1076414344 /nfs/dbraw/zinc/41/43/44/1076414344.db2.gz SLHFWBRXKLRIIY-OAHLLOKOSA-N 0 3 314.385 2.059 20 10 DECDHN CON(C)CC[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC001659935558 1080257040 /nfs/dbraw/zinc/25/70/40/1080257040.db2.gz SXBDQIJVLDZHQF-UHFFFAOYSA-N 0 3 303.200 2.046 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CCC[C@H](C(=O)NC(C)C)C2)c([O-])c1 ZINC001660380424 1080321693 /nfs/dbraw/zinc/32/16/93/1080321693.db2.gz PCTOQYBVRUXGCA-AWEZNQCLSA-N 0 3 320.433 2.446 20 10 DECDHN COc1cc(C)c(C[N@H+]2CCC[C@H](C(=O)NC(C)C)C2)c([O-])c1 ZINC001660380424 1080321696 /nfs/dbraw/zinc/32/16/96/1080321696.db2.gz PCTOQYBVRUXGCA-AWEZNQCLSA-N 0 3 320.433 2.446 20 10 DECDHN COc1cc(C)c(C[NH+]2CCC(CCO)(CCO)CC2)c([O-])c1 ZINC001660486089 1080341136 /nfs/dbraw/zinc/34/11/36/1080341136.db2.gz AGHIOCCDKOGZGW-UHFFFAOYSA-N 0 3 323.433 2.056 20 10 DECDHN COc1ccc(CNCc2ccnc(-n3cncn3)c2)cc1C ZINC001663050957 1080692879 /nfs/dbraw/zinc/69/28/79/1080692879.db2.gz MLVJNHSZHSAKQT-UHFFFAOYSA-N 0 3 309.373 2.269 20 10 DECDHN Cn1ccnc1[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])CCO1 ZINC001664979458 1080980733 /nfs/dbraw/zinc/98/07/33/1080980733.db2.gz WQHOJTGWKMHEEP-DZGCQCFKSA-N 0 3 305.353 2.275 20 10 DECDHN COc1ccc(C[NH+]2CCC3(CC[C@@H](C(N)=O)C3)CC2)c([O-])c1 ZINC001277453567 1083978063 /nfs/dbraw/zinc/97/80/63/1083978063.db2.gz BHSICUBYEOQMNP-CYBMUJFWSA-N 0 3 318.417 2.268 20 10 DECDHN CC(C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3[O-])CC[C@@H]21 ZINC001203552258 1084089771 /nfs/dbraw/zinc/08/97/71/1084089771.db2.gz GTORJVNGHXXZMC-HOCLYGCPSA-N 0 3 302.418 2.471 20 10 DECDHN CC(C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3[O-])CC[C@@H]21 ZINC001203552258 1084089780 /nfs/dbraw/zinc/08/97/80/1084089780.db2.gz GTORJVNGHXXZMC-HOCLYGCPSA-N 0 3 302.418 2.471 20 10 DECDHN CCN1CCN(c2ccc(O[C@@H]3CCOC[C@H]3F)cc2)CC1 ZINC001234661615 1084192403 /nfs/dbraw/zinc/19/24/03/1084192403.db2.gz VVDYVOJAVKZQCJ-IAGOWNOFSA-N 0 3 308.397 2.334 20 10 DECDHN [O-]c1c(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)cccc1-c1ccccc1 ZINC001234998126 1084264373 /nfs/dbraw/zinc/26/43/73/1084264373.db2.gz FUZRGZNYRMSTLT-AEFFLSMTSA-N 0 3 313.397 2.234 20 10 DECDHN [O-]c1c(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)cccc1-c1ccccc1 ZINC001234998126 1084264384 /nfs/dbraw/zinc/26/43/84/1084264384.db2.gz FUZRGZNYRMSTLT-AEFFLSMTSA-N 0 3 313.397 2.234 20 10 DECDHN CCN(CC)c1ccc(CN2CC[C@@H](F)[C@@H](N)C2)c(OC)c1 ZINC001235906718 1084561108 /nfs/dbraw/zinc/56/11/08/1084561108.db2.gz RBNORHQYDFGTPS-CVEARBPZSA-N 0 3 309.429 2.413 20 10 DECDHN Cc1cc([O-])c(CN2C[C@@H]3CC[C@H]2C[NH2+]3)cc1Br ZINC001236427919 1138361414 /nfs/dbraw/zinc/36/14/14/1138361414.db2.gz CEAZXBUQWSTNPK-RYUDHWBXSA-N 0 3 311.223 2.399 20 10 DECDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC001236842510 1138443345 /nfs/dbraw/zinc/44/33/45/1138443345.db2.gz WOKXCLWUZZJQPK-SFHVURJKSA-N 0 3 312.413 2.452 20 10 DECDHN [O-]c1cc2ccccc2cc1C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC001236842510 1138443356 /nfs/dbraw/zinc/44/33/56/1138443356.db2.gz WOKXCLWUZZJQPK-SFHVURJKSA-N 0 3 312.413 2.452 20 10 DECDHN CN1CCCc2cc(CN3CCNC[C@H]3C(F)(F)F)ccc21 ZINC001236977760 1138473472 /nfs/dbraw/zinc/47/34/72/1138473472.db2.gz VYAXEOYHCLHALY-HNNXBMFYSA-N 0 3 313.367 2.405 20 10 DECDHN CCOc1ccc(C[N@H+](C)[C@@H]2CCCN(C(C)=O)C2)c([O-])c1 ZINC001237047196 1138487950 /nfs/dbraw/zinc/48/79/50/1138487950.db2.gz UYRHVBSUSSBUQX-OAHLLOKOSA-N 0 3 306.406 2.234 20 10 DECDHN CCOc1ccc(C[N@@H+](C)[C@@H]2CCCN(C(C)=O)C2)c([O-])c1 ZINC001237047196 1138487964 /nfs/dbraw/zinc/48/79/64/1138487964.db2.gz UYRHVBSUSSBUQX-OAHLLOKOSA-N 0 3 306.406 2.234 20 10 DECDHN COCC(=O)NC1CC[NH+](Cc2ccc(C(C)C)cc2[O-])CC1 ZINC001237054463 1138490529 /nfs/dbraw/zinc/49/05/29/1138490529.db2.gz YVHLTSMFBGKXIK-UHFFFAOYSA-N 0 3 320.433 2.243 20 10 DECDHN [O-]c1cc(OCC(F)(F)F)ccc1C[NH+]1CC(C2COC2)C1 ZINC001237052464 1138490762 /nfs/dbraw/zinc/49/07/62/1138490762.db2.gz ZZWUIKVYNVCKHZ-UHFFFAOYSA-N 0 3 317.307 2.412 20 10 DECDHN COc1cc(CN2CC(c3cccnc3)C2)c(O)c(OC)c1 ZINC001237677561 1138753879 /nfs/dbraw/zinc/75/38/79/1138753879.db2.gz DWAGBIHARKPIMZ-UHFFFAOYSA-N 0 3 300.358 2.404 20 10 DECDHN COC(=O)C[C@H]1CCCN(Cc2cc(OC)cc(OC)c2O)C1 ZINC001237682164 1138755751 /nfs/dbraw/zinc/75/57/51/1138755751.db2.gz VAJYNTOVJPLOFM-GFCCVEGCSA-N 0 3 323.389 2.185 20 10 DECDHN O=C(CNCc1ccc(N2CCCC2)cc1)NCc1ccco1 ZINC001322601649 1141642662 /nfs/dbraw/zinc/64/26/62/1141642662.db2.gz QQHINZRYTLTMHE-UHFFFAOYSA-N 0 3 313.401 2.286 20 10 DECDHN C[C@H](O)CN1CCN(Cc2ccc(N3CCCC3)cc2)[C@H](C)C1 ZINC001323397423 1141849291 /nfs/dbraw/zinc/84/92/91/1141849291.db2.gz RKVDQXQJRZAWPG-SJORKVTESA-N 0 3 317.477 2.174 20 10 DECDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCCO3)c([O-])c1 ZINC001249177668 1141857271 /nfs/dbraw/zinc/85/72/71/1141857271.db2.gz ICDDBEJYIXBLSD-SFHVURJKSA-N 0 3 319.401 2.253 20 10 DECDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCCO3)c([O-])c1 ZINC001249177668 1141857272 /nfs/dbraw/zinc/85/72/72/1141857272.db2.gz ICDDBEJYIXBLSD-SFHVURJKSA-N 0 3 319.401 2.253 20 10 DECDHN Cc1ccccc1OC[C@H](O)C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001251701396 1142489312 /nfs/dbraw/zinc/48/93/12/1142489312.db2.gz UJLZQIYKOKGCSS-MRXNPFEDSA-N 0 3 313.397 2.499 20 10 DECDHN Cc1ccccc1OC[C@H](O)C[N@H+]1CCc2cccc([O-])c2C1 ZINC001251701396 1142489327 /nfs/dbraw/zinc/48/93/27/1142489327.db2.gz UJLZQIYKOKGCSS-MRXNPFEDSA-N 0 3 313.397 2.499 20 10 DECDHN Nc1ccc(CNC(=O)NC[C@H]2CCCCN2C2CC2)cc1 ZINC001338595835 1142865689 /nfs/dbraw/zinc/86/56/89/1142865689.db2.gz OHWDXNBDWQPJKS-MRXNPFEDSA-N 0 3 302.422 2.085 20 10 DECDHN O=C(NCc1c([O-])cccc1F)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC001341125888 1143545868 /nfs/dbraw/zinc/54/58/68/1143545868.db2.gz ZBLRNKOTJWNVAQ-CQDKDKBSSA-N 0 3 306.381 2.458 20 10 DECDHN C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)N1CCCCC1 ZINC001306422772 1147383430 /nfs/dbraw/zinc/38/34/30/1147383430.db2.gz QMTNWQNQVZJDIA-GFCCVEGCSA-N 0 3 317.393 2.453 20 10 DECDHN CS(=O)(=O)C1(CNCc2ccc(N3CCCC3)cc2)CCC1 ZINC001324984189 1147864677 /nfs/dbraw/zinc/86/46/77/1147864677.db2.gz ASOVZCOJIVPOOA-UHFFFAOYSA-N 0 3 322.474 2.344 20 10 DECDHN C[C@@H]([NH2+][C@@H](C)C(=O)NCC(F)(F)F)c1cc(F)ccc1[O-] ZINC001325356675 1147895748 /nfs/dbraw/zinc/89/57/48/1147895748.db2.gz KZQXTBMLGCUPLU-SFYZADRCSA-N 0 3 308.275 2.249 20 10 DECDHN CCNC(=O)N1CC[C@@H](N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000090410747 185294842 /nfs/dbraw/zinc/29/48/42/185294842.db2.gz OUVWMFXSNXSBTO-UKRRQHHQSA-N 0 3 304.438 2.207 20 10 DECDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272621339 130047287 /nfs/dbraw/zinc/04/72/87/130047287.db2.gz IVSHXTXNZTYMPN-IYNGYCSASA-N 0 3 318.417 2.300 20 10 DECDHN Cc1ccc([C@H](C)NCC(=O)NCC(F)(F)F)c(O)c1C ZINC000273297336 130103669 /nfs/dbraw/zinc/10/36/69/130103669.db2.gz AKMONKDIDDXFKR-JTQLQIEISA-N 0 3 304.312 2.338 20 10 DECDHN C[C@@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1cc2c(cc1[O-])CCCC2 ZINC000273592795 130142033 /nfs/dbraw/zinc/14/20/33/130142033.db2.gz PQUNOARZOKNHJA-RHSMWYFYSA-N 0 3 317.477 2.167 20 10 DECDHN C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc(O)c1[O-] ZINC000274894910 130271995 /nfs/dbraw/zinc/27/19/95/130271995.db2.gz NCZWPCNXQJLGOJ-ZDUSSCGKSA-N 0 3 306.406 2.482 20 10 DECDHN C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cccc(O)c1[O-] ZINC000274894910 130271996 /nfs/dbraw/zinc/27/19/96/130271996.db2.gz NCZWPCNXQJLGOJ-ZDUSSCGKSA-N 0 3 306.406 2.482 20 10 DECDHN Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c([O-])c1O ZINC000286913381 131254903 /nfs/dbraw/zinc/25/49/03/131254903.db2.gz CYPJVTHEFPEVLQ-GXTWGEPZSA-N 0 3 304.390 2.105 20 10 DECDHN CCOc1cccc(C[NH2+]CCCOC[C@H]2CCCO2)c1[O-] ZINC000074336691 401736146 /nfs/dbraw/zinc/73/61/46/401736146.db2.gz XQLOYOVTVJIWJL-OAHLLOKOSA-N 0 3 309.406 2.466 20 10 DECDHN CCCN(CC(=O)N1C[C@@H](C)O[C@@H](C)C1)Cc1ccccc1O ZINC000076074330 401781291 /nfs/dbraw/zinc/78/12/91/401781291.db2.gz TXUVHOCGXWUIAC-GASCZTMLSA-N 0 3 320.433 2.240 20 10 DECDHN CCN(CC)c1ccc(CNC(=O)NCCN(C)C)cc1F ZINC000133646334 401893110 /nfs/dbraw/zinc/89/31/10/401893110.db2.gz IAWLZMQMEZXFQD-UHFFFAOYSA-N 0 3 310.417 2.033 20 10 DECDHN CCOc1cccc(C[NH+]2CCC(Cn3ccnn3)CC2)c1[O-] ZINC000092098272 402001753 /nfs/dbraw/zinc/00/17/53/402001753.db2.gz WCGRNSLOTPTFIB-UHFFFAOYSA-N 0 3 316.405 2.295 20 10 DECDHN COc1ccc(N2CCCN(Cc3c[nH]nc3C)CC2)cc1 ZINC000092380866 402004590 /nfs/dbraw/zinc/00/45/90/402004590.db2.gz IIIPGJXOIUCEHW-UHFFFAOYSA-N 0 3 300.406 2.439 20 10 DECDHN CC(=O)c1cc(F)cc(CN2CC[C@@H]([NH+]3CCCC3)C2)c1[O-] ZINC000102827315 402172912 /nfs/dbraw/zinc/17/29/12/402172912.db2.gz KCGXGZYUXOJSIB-OAHLLOKOSA-N 0 3 306.381 2.404 20 10 DECDHN COc1ccc(O)c([C@H](C)N[C@H]2CC(=O)N(C(C)(C)C)C2)c1 ZINC000186086079 402399621 /nfs/dbraw/zinc/39/96/21/402399621.db2.gz QKSBBOCPJXRIHC-RYUDHWBXSA-N 0 3 306.406 2.451 20 10 DECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)c1 ZINC000186086079 402399623 /nfs/dbraw/zinc/39/96/23/402399623.db2.gz QKSBBOCPJXRIHC-RYUDHWBXSA-N 0 3 306.406 2.451 20 10 DECDHN CC[C@H]([NH2+][C@@H](C)CCN1CCN(C)CC1)c1ccccc1[O-] ZINC000186427039 402430713 /nfs/dbraw/zinc/43/07/13/402430713.db2.gz IJJDXNJSDDRFRM-RDJZCZTQSA-N 0 3 305.466 2.459 20 10 DECDHN CCOc1ccc([O-])c(C[N@@H+]2CCOCC3(CCOCC3)C2)c1 ZINC000183268540 402751689 /nfs/dbraw/zinc/75/16/89/402751689.db2.gz GXMDWUHUSPSMJT-UHFFFAOYSA-N 0 3 321.417 2.420 20 10 DECDHN CCOc1ccc([O-])c(C[N@H+]2CCOCC3(CCOCC3)C2)c1 ZINC000183268540 402751693 /nfs/dbraw/zinc/75/16/93/402751693.db2.gz GXMDWUHUSPSMJT-UHFFFAOYSA-N 0 3 321.417 2.420 20 10 DECDHN CCOc1ccc(O)c(CN2CCOCC3(CCOCC3)C2)c1 ZINC000183268540 402751696 /nfs/dbraw/zinc/75/16/96/402751696.db2.gz GXMDWUHUSPSMJT-UHFFFAOYSA-N 0 3 321.417 2.420 20 10 DECDHN CCCOc1ccc(C[NH2+][C@H](COC)[C@@H]2CCCO2)c([O-])c1 ZINC000278733453 402869879 /nfs/dbraw/zinc/86/98/79/402869879.db2.gz UPQFXZZIXRMXIB-WBVHZDCISA-N 0 3 309.406 2.465 20 10 DECDHN CN(C)c1ccc(CN[C@@]2(CO)CCOC2)c(C(F)(F)F)c1 ZINC000279915411 402965236 /nfs/dbraw/zinc/96/52/36/402965236.db2.gz MJCWKEDRRMPYTK-CQSZACIVSA-N 0 3 318.339 2.012 20 10 DECDHN CCCOc1ccc(C[NH2+]CC2(N3CCOCC3)CC2)c([O-])c1 ZINC000277487994 403222657 /nfs/dbraw/zinc/22/26/57/403222657.db2.gz NGXIDUHDMPUIQI-UHFFFAOYSA-N 0 3 320.433 2.135 20 10 DECDHN CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1cccc(OC)c1[O-] ZINC000285271640 403280367 /nfs/dbraw/zinc/28/03/67/403280367.db2.gz UMJUNTXECLUBEJ-CQSZACIVSA-N 0 3 306.406 2.282 20 10 DECDHN CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1cccc(OC)c1[O-] ZINC000285271640 403280368 /nfs/dbraw/zinc/28/03/68/403280368.db2.gz UMJUNTXECLUBEJ-CQSZACIVSA-N 0 3 306.406 2.282 20 10 DECDHN COc1cccc(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1O ZINC000289668426 403992154 /nfs/dbraw/zinc/99/21/54/403992154.db2.gz NNAJGJHLUSBTNQ-RYUDHWBXSA-N 0 3 319.323 2.394 20 10 DECDHN Cc1ccc(C(=O)NC2CC[NH+](C3CCC3)CC2)c([O-])c1O ZINC000296784434 404319687 /nfs/dbraw/zinc/31/96/87/404319687.db2.gz BDJGTODVHUCICD-UHFFFAOYSA-N 0 3 304.390 2.153 20 10 DECDHN COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296989628 404403711 /nfs/dbraw/zinc/40/37/11/404403711.db2.gz SHSGGGSFTUTOQS-GJZGRUSLSA-N 0 3 320.433 2.146 20 10 DECDHN COc1cccc(CN2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1O ZINC000366462590 404795934 /nfs/dbraw/zinc/79/59/34/404795934.db2.gz LSKKTNGYPMEUHS-DYVFJYSZSA-N 0 3 307.390 2.171 20 10 DECDHN Cc1cc(O)c(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1C ZINC000367461074 405057350 /nfs/dbraw/zinc/05/73/50/405057350.db2.gz PSHLJTOMVWALFE-SJORKVTESA-N 0 3 304.434 2.040 20 10 DECDHN CCOc1cccc(CN[C@H]2Cc3ccccc3NC2=O)c1O ZINC000527799162 406753421 /nfs/dbraw/zinc/75/34/21/406753421.db2.gz JINLXRPREIUINV-HNNXBMFYSA-N 0 3 312.369 2.444 20 10 DECDHN C[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(F)cc1[O-] ZINC000368330404 227008336 /nfs/dbraw/zinc/00/83/36/227008336.db2.gz VWPOXEJDURMZJQ-DZGCQCFKSA-N 0 3 321.440 2.350 20 10 DECDHN [O-]c1ccc(Br)cc1CN1CC[NH+]2CCC1CC2 ZINC000377633349 227195282 /nfs/dbraw/zinc/19/52/82/227195282.db2.gz XOSNGRDSTDAXOQ-UHFFFAOYSA-N 0 3 311.223 2.435 20 10 DECDHN CN(C)c1ccc2c(c1)OCCN2C(=O)C1(N)CC2(CCC2)C1 ZINC000659284055 425566975 /nfs/dbraw/zinc/56/69/75/425566975.db2.gz FCOJYMKWWRDYFD-UHFFFAOYSA-N 0 3 315.417 2.140 20 10 DECDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)ccc2[O-])[C@]12CCCO2 ZINC000272666871 276345882 /nfs/dbraw/zinc/34/58/82/276345882.db2.gz JFKTWQQNHNHXSR-BRWVUGGUSA-N 0 3 307.390 2.217 20 10 DECDHN CCN1CCN(c2ccc(CN[C@H](C)COC)cc2F)CC1 ZINC000155320404 279374363 /nfs/dbraw/zinc/37/43/63/279374363.db2.gz RDNBMRZNEHYABN-CQSZACIVSA-N 0 3 309.429 2.092 20 10 DECDHN C[C@H](C[NH2+][C@H](C)c1cc(Cl)ccc1[O-])N1CCN(C)CC1 ZINC000185364086 333207790 /nfs/dbraw/zinc/20/77/90/333207790.db2.gz RUGWLUNCHDYSTD-CHWSQXEVSA-N 0 3 311.857 2.332 20 10 DECDHN CN(C)c1ccc(/C=C/CN2CCC[C@@H](OCCO)C2)cc1 ZINC000835027723 649868438 /nfs/dbraw/zinc/86/84/38/649868438.db2.gz GCAXEQWWCDXJFA-YWPBOTNQSA-N 0 3 304.434 2.239 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)[C@H](CO)SC)c1[O-] ZINC000230934743 533952764 /nfs/dbraw/zinc/95/27/64/533952764.db2.gz PNEKJTXXUKUFMD-UFBFGSQYSA-N 0 3 305.827 2.256 20 10 DECDHN COc1ccc(N2CCCN(Cc3ccnc(N)c3)CC2)cc1 ZINC000193314612 534001496 /nfs/dbraw/zinc/00/14/96/534001496.db2.gz RAGDDWFDGJHGQO-UHFFFAOYSA-N 0 3 312.417 2.385 20 10 DECDHN CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000179939918 519890204 /nfs/dbraw/zinc/89/02/04/519890204.db2.gz SLLFLRKTRHKQSW-CYBMUJFWSA-N 0 3 306.406 2.139 20 10 DECDHN CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000179939918 519890205 /nfs/dbraw/zinc/89/02/05/519890205.db2.gz SLLFLRKTRHKQSW-CYBMUJFWSA-N 0 3 306.406 2.139 20 10 DECDHN CN(C)c1ccc(CN(CCN2CCOCC2)C2CC2)cc1 ZINC000265950611 522174299 /nfs/dbraw/zinc/17/42/99/522174299.db2.gz UDQHJLQRHHMTOU-UHFFFAOYSA-N 0 3 303.450 2.049 20 10 DECDHN CC[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccccc1[O-] ZINC000157499445 522856698 /nfs/dbraw/zinc/85/66/98/522856698.db2.gz ZTXUJQQAFCNOTH-UKRRQHHQSA-N 0 3 307.390 2.355 20 10 DECDHN CNC(=O)CC[N@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000180030277 524066831 /nfs/dbraw/zinc/06/68/31/524066831.db2.gz YWCHRSZCRUEBAO-UHFFFAOYSA-N 0 3 315.211 2.031 20 10 DECDHN CNC(=O)CC[N@@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000180030277 524066832 /nfs/dbraw/zinc/06/68/32/524066832.db2.gz YWCHRSZCRUEBAO-UHFFFAOYSA-N 0 3 315.211 2.031 20 10 DECDHN C[C@@H](CN1CCCCC1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180925235 524601554 /nfs/dbraw/zinc/60/15/54/524601554.db2.gz ZRMIRCPRCUBHIE-CFNZNRNTSA-N 0 3 304.390 2.102 20 10 DECDHN Cc1c(/C=C/C(=O)N(CCN(C)C)c2ccccc2)cnn1C ZINC000161591610 525516014 /nfs/dbraw/zinc/51/60/14/525516014.db2.gz MIDJKXALBZEATG-ZHACJKMWSA-N 0 3 312.417 2.337 20 10 DECDHN Cc1ccc([C@H](C[NH2+]Cc2ccccc2[O-])N2CCOCC2)o1 ZINC000237634855 525958946 /nfs/dbraw/zinc/95/89/46/525958946.db2.gz YFASFORPPPWEPD-INIZCTEOSA-N 0 3 316.401 2.457 20 10 DECDHN Cc1ccc(C(=O)NC2CC[NH+](CC3CC3)CC2)c([O-])c1O ZINC000182136593 526151621 /nfs/dbraw/zinc/15/16/21/526151621.db2.gz FPZVGBLSQJEKQU-UHFFFAOYSA-N 0 3 304.390 2.010 20 10 DECDHN Nc1ccc(CC(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000237900366 527476889 /nfs/dbraw/zinc/47/68/89/527476889.db2.gz JILJKQRHZIZMSB-UHFFFAOYSA-N 0 3 323.440 2.376 20 10 DECDHN CCC[C@@]1(CO)CC[N@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000377842019 527952778 /nfs/dbraw/zinc/95/27/78/527952778.db2.gz GHJSBBWITCNIJZ-QGZVFWFLSA-N 0 3 309.406 2.394 20 10 DECDHN CCC[C@@]1(CO)CC[N@@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000377842019 527952785 /nfs/dbraw/zinc/95/27/85/527952785.db2.gz GHJSBBWITCNIJZ-QGZVFWFLSA-N 0 3 309.406 2.394 20 10 DECDHN CNC(=O)C1(NC/C=C\c2ccc(N(C)C)cc2)CCCC1 ZINC000835046317 649871118 /nfs/dbraw/zinc/87/11/18/649871118.db2.gz QNCPHZKRPXOBNB-SREVYHEPSA-N 0 3 301.434 2.414 20 10 DECDHN COC[C@](C)(CC(=O)OC)NC/C=C\c1ccc(N(C)C)cc1 ZINC000835048640 649871439 /nfs/dbraw/zinc/87/14/39/649871439.db2.gz WVWGSJJXOGAHLZ-MJRGOJFPSA-N 0 3 320.433 2.324 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCC=CO2)N(C)C)cc1 ZINC000891247184 623791885 /nfs/dbraw/zinc/79/18/85/623791885.db2.gz GSYRLZPMJAHGBX-DLBZAZTESA-N 0 3 317.433 2.164 20 10 DECDHN Cc1nc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)co1 ZINC000891249872 623794821 /nfs/dbraw/zinc/79/48/21/623794821.db2.gz XHOULGCGLUAEPK-MRXNPFEDSA-N 0 3 316.405 2.082 20 10 DECDHN CC[C@@H](C)OCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251058 623797550 /nfs/dbraw/zinc/79/75/50/623797550.db2.gz CRFINMNLSKFUIV-PBHICJAKSA-N 0 3 321.465 2.287 20 10 DECDHN C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)C2CC2)c2c1c(F)ccc2[O-] ZINC000840884605 625192768 /nfs/dbraw/zinc/19/27/68/625192768.db2.gz RWDDMPYLTDKYEQ-CABZTGNLSA-N 0 3 313.394 2.246 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)NC(C)(C)C)N(C)C)cc1 ZINC000005097875 634948401 /nfs/dbraw/zinc/94/84/01/634948401.db2.gz RAOZHYJIOZYRJW-HNNXBMFYSA-N 0 3 306.454 2.453 20 10 DECDHN C[C@@H](NC[C@@H]1C[NH2+]CCC1(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000925784813 635223207 /nfs/dbraw/zinc/22/32/07/635223207.db2.gz SKYCPMBMXVUNQZ-ZJUUUORDSA-N 0 3 315.320 2.196 20 10 DECDHN CCOc1ccc(O)c(CN2CCCc3c(cnn3C)C2)c1 ZINC000840954218 635475469 /nfs/dbraw/zinc/47/54/69/635475469.db2.gz IMUPHGOXCNUIHM-UHFFFAOYSA-N 0 3 301.390 2.473 20 10 DECDHN O=C(NCc1c([O-])cccc1F)NCC1CC[NH+](C2CC2)CC1 ZINC000922219355 636009286 /nfs/dbraw/zinc/00/92/86/636009286.db2.gz JCOAVEOJEXXRLC-UHFFFAOYSA-N 0 3 321.396 2.205 20 10 DECDHN COc1cc(Br)cc(C[NH2+]C2(CO)CCC2)c1[O-] ZINC000178638540 636114335 /nfs/dbraw/zinc/11/43/35/636114335.db2.gz OFRGHOYDFWSJDC-UHFFFAOYSA-N 0 3 316.195 2.168 20 10 DECDHN CS(=O)(=O)c1ccccc1CC[NH2+]Cc1ccccc1[O-] ZINC000922677769 636322165 /nfs/dbraw/zinc/32/21/65/636322165.db2.gz UOWZBCNBQIHKQG-UHFFFAOYSA-N 0 3 305.399 2.128 20 10 DECDHN Cc1nc([C@H]2CCN(Cc3cc(F)c(N(C)C)cc3F)C2)n[nH]1 ZINC000895011859 637374790 /nfs/dbraw/zinc/37/47/90/637374790.db2.gz MCGBJTRNKRXOEB-NSHDSACASA-N 0 3 321.375 2.447 20 10 DECDHN Cc1n[nH]c([C@H]2CCN(Cc3cc(F)c(N(C)C)cc3F)C2)n1 ZINC000895011859 637374798 /nfs/dbraw/zinc/37/47/98/637374798.db2.gz MCGBJTRNKRXOEB-NSHDSACASA-N 0 3 321.375 2.447 20 10 DECDHN Cc1nnc([C@H]2CCN(Cc3cc(F)c(N(C)C)cc3F)C2)[nH]1 ZINC000895011859 637374805 /nfs/dbraw/zinc/37/48/05/637374805.db2.gz MCGBJTRNKRXOEB-NSHDSACASA-N 0 3 321.375 2.447 20 10 DECDHN COc1cc(C)cc(CN[C@H]2CCN(C(C)(C)C)C2=O)c1O ZINC000895075005 637499770 /nfs/dbraw/zinc/49/97/70/637499770.db2.gz UEIJCSYHBVRFGO-ZDUSSCGKSA-N 0 3 306.406 2.198 20 10 DECDHN COC(=O)c1c(CN[C@H]2CO[C@H](C)C2)c2cc(F)ccc2n1C ZINC000895083722 637527475 /nfs/dbraw/zinc/52/74/75/637527475.db2.gz LVBVUFCYCCWFFF-ZYHUDNBSSA-N 0 3 320.364 2.371 20 10 DECDHN COc1cccc2c1CC[C@]2(CO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000895634259 638115999 /nfs/dbraw/zinc/11/59/99/638115999.db2.gz KSSQNEXODPQQSM-GOSISDBHSA-N 0 3 317.360 2.464 20 10 DECDHN C[C@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1cc(F)ccc1[O-] ZINC000756777991 639694046 /nfs/dbraw/zinc/69/40/46/639694046.db2.gz ANGRFUXMGBDEML-NSHDSACASA-N 0 3 315.410 2.397 20 10 DECDHN CCOCc1cc(CN[C@H](CO)CC(F)F)ccc1OC ZINC000758614729 639980052 /nfs/dbraw/zinc/98/00/52/639980052.db2.gz JTBQGTCDFRHZTA-ZDUSSCGKSA-N 0 3 303.349 2.337 20 10 DECDHN COc1ccc(O)c([C@H](C)NC(=O)CN2[C@H](C)CC[C@@H]2C)c1 ZINC000761973508 640368245 /nfs/dbraw/zinc/36/82/45/640368245.db2.gz QWOXMEWJYGQOMX-XQQFMLRXSA-N 0 3 306.406 2.451 20 10 DECDHN CC1(CO)CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000762790214 640459769 /nfs/dbraw/zinc/45/97/69/640459769.db2.gz APFLVOZFJWTGCC-UHFFFAOYSA-N 0 3 322.424 2.257 20 10 DECDHN CCOc1ccc(C[NH2+][C@@H](CCO)C2CCOCC2)c([O-])c1 ZINC000763467886 640545491 /nfs/dbraw/zinc/54/54/91/640545491.db2.gz VAHWYWCHUJCSNB-INIZCTEOSA-N 0 3 309.406 2.058 20 10 DECDHN C[C@@H](NC(=O)N1C[C@@H](C)NC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000841881667 650591282 /nfs/dbraw/zinc/59/12/82/650591282.db2.gz BKXYFDBNSVNLNX-MGPQQGTHSA-N 0 3 304.438 2.205 20 10 DECDHN COc1cccc([O-])c1C[NH2+]CC(C)(C)C1(O)CCOCC1 ZINC000841890353 650594286 /nfs/dbraw/zinc/59/42/86/650594286.db2.gz OERBRERUXWJBLW-UHFFFAOYSA-N 0 3 309.406 2.058 20 10 DECDHN COc1cccc(CNCC(=O)N2CCc3ccccc32)c1O ZINC000729684745 640826005 /nfs/dbraw/zinc/82/60/05/640826005.db2.gz GJBZARZFIUIJAQ-UHFFFAOYSA-N 0 3 312.369 2.080 20 10 DECDHN CCCNC(=O)[C@@H]1CCC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000769217910 641197087 /nfs/dbraw/zinc/19/70/87/641197087.db2.gz UOZOQDCMBVFRPC-CYBMUJFWSA-N 0 3 306.406 2.139 20 10 DECDHN CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000769217910 641197090 /nfs/dbraw/zinc/19/70/90/641197090.db2.gz UOZOQDCMBVFRPC-CYBMUJFWSA-N 0 3 306.406 2.139 20 10 DECDHN CCCNC(=O)[C@H]1CCC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000769217911 641197101 /nfs/dbraw/zinc/19/71/01/641197101.db2.gz UOZOQDCMBVFRPC-ZDUSSCGKSA-N 0 3 306.406 2.139 20 10 DECDHN CCCNC(=O)[C@H]1CCC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000769217911 641197102 /nfs/dbraw/zinc/19/71/02/641197102.db2.gz UOZOQDCMBVFRPC-ZDUSSCGKSA-N 0 3 306.406 2.139 20 10 DECDHN CCN(CC)c1ccc(CN2CCN(CCCCO)CC2)cc1 ZINC000769394013 641231778 /nfs/dbraw/zinc/23/17/78/641231778.db2.gz HKBXBGMQQIVFBI-UHFFFAOYSA-N 0 3 319.493 2.423 20 10 DECDHN COCCCOC1CC[NH+](Cc2c([O-])cccc2OC)CC1 ZINC000769467422 641245067 /nfs/dbraw/zinc/24/50/67/641245067.db2.gz UCDUDPQKNDVEOB-UHFFFAOYSA-N 0 3 309.406 2.418 20 10 DECDHN CCOc1ccc(C[NH+]2CCC(CC(=O)NC)CC2)c([O-])c1 ZINC000769468988 641246448 /nfs/dbraw/zinc/24/64/48/641246448.db2.gz RYCOMHRLGLPNLU-UHFFFAOYSA-N 0 3 306.406 2.139 20 10 DECDHN CCOc1ccc(C[NH+]2CCC(OCCCO)CC2)c([O-])c1 ZINC000769504217 641251761 /nfs/dbraw/zinc/25/17/61/641251761.db2.gz QEVQWGNEJZUBCQ-UHFFFAOYSA-N 0 3 309.406 2.154 20 10 DECDHN CC(=O)c1cc(F)cc(CN2CCC[C@@]3(CC[NH2+]C3)C2)c1[O-] ZINC000842475850 650748383 /nfs/dbraw/zinc/74/83/83/650748383.db2.gz ZMBSSWDGCBAFQD-KRWDZBQOSA-N 0 3 306.381 2.309 20 10 DECDHN O=C(C1CC1)N1CCCN(Cc2cc3c(cc2O)CCC3)CC1 ZINC000780473838 642629610 /nfs/dbraw/zinc/62/96/10/642629610.db2.gz RZFQDYCBLTUEDW-UHFFFAOYSA-N 0 3 314.429 2.325 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](c3cccnc3)C1)[C@H](O)CO2 ZINC000842625034 650786137 /nfs/dbraw/zinc/78/61/37/650786137.db2.gz HSUCDLBWLVUBFT-CXAGYDPISA-N 0 3 312.369 2.203 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](c3cccnc3)C1)[C@H](O)CO2 ZINC000842625034 650786139 /nfs/dbraw/zinc/78/61/39/650786139.db2.gz HSUCDLBWLVUBFT-CXAGYDPISA-N 0 3 312.369 2.203 20 10 DECDHN C[C@H]1C[C@@H](NCc2cc(F)c(N3CCOCC3)c(F)c2)CO1 ZINC000842711143 650809635 /nfs/dbraw/zinc/80/96/35/650809635.db2.gz ZJGVPUDTXCJDDO-WCQYABFASA-N 0 3 312.360 2.068 20 10 DECDHN C[C@]12C[N@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000902614456 643084645 /nfs/dbraw/zinc/08/46/45/643084645.db2.gz HSACNEDFKUXTGA-PSVWOAEOSA-N 0 3 313.397 2.462 20 10 DECDHN C[C@]12C[N@@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000902614456 643084648 /nfs/dbraw/zinc/08/46/48/643084648.db2.gz HSACNEDFKUXTGA-PSVWOAEOSA-N 0 3 313.397 2.462 20 10 DECDHN Cc1ccc(CNCc2ccc(N(C)C)c(F)c2)c(=O)n1C ZINC000785520089 643244790 /nfs/dbraw/zinc/24/47/90/643244790.db2.gz BLLAZZXAUFJZOE-UHFFFAOYSA-N 0 3 303.381 2.189 20 10 DECDHN C[C@]1(F)C[NH2+]CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000843124703 650901260 /nfs/dbraw/zinc/90/12/60/650901260.db2.gz FPNKMIULJDFPNA-ZDUSSCGKSA-N 0 3 317.202 2.288 20 10 DECDHN COc1cc(C)cc(CN2C[C@]3(CCOC3)OC(C)(C)C2)c1O ZINC000794693637 644461075 /nfs/dbraw/zinc/46/10/75/644461075.db2.gz GTWIMZRSQPMWPJ-SFHVURJKSA-N 0 3 321.417 2.479 20 10 DECDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1CCCN1C ZINC000839919100 645299968 /nfs/dbraw/zinc/29/99/68/645299968.db2.gz PLPQADBRQVCCRB-PBHICJAKSA-N 0 3 303.450 2.202 20 10 DECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC(=O)NCC(F)F)c1[O-] ZINC000808717549 645324279 /nfs/dbraw/zinc/32/42/79/645324279.db2.gz DFRAXBYIJJQZPP-QMMMGPOBSA-N 0 3 306.740 2.386 20 10 DECDHN C[C@@]12C[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000840114656 645986512 /nfs/dbraw/zinc/98/65/12/645986512.db2.gz HSACNEDFKUXTGA-BOFVXQRXSA-N 0 3 313.397 2.462 20 10 DECDHN C[C@@]12C[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000840114656 645986517 /nfs/dbraw/zinc/98/65/17/645986517.db2.gz HSACNEDFKUXTGA-BOFVXQRXSA-N 0 3 313.397 2.462 20 10 DECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCC2CS(=O)(=O)C2)c1[O-] ZINC000808716355 646131347 /nfs/dbraw/zinc/13/13/47/646131347.db2.gz VWCJKVDBHWAYRW-JTQLQIEISA-N 0 3 317.838 2.439 20 10 DECDHN COc1cc(C)cc(CN2CCCc3c(cnn3C)C2)c1O ZINC000840172861 646223224 /nfs/dbraw/zinc/22/32/24/646223224.db2.gz GYOSQQYLEQNYTO-UHFFFAOYSA-N 0 3 301.390 2.391 20 10 DECDHN CC1(C)CN(Cc2cc3c(cc2O)OC[C@@H]3O)[C@H]1[C@@H]1CCCO1 ZINC000811779293 646576410 /nfs/dbraw/zinc/57/64/10/646576410.db2.gz OPYGWAYTEMLITH-ZOBUZTSGSA-N 0 3 319.401 2.207 20 10 DECDHN C[C@H](CNC(=O)NCc1c([O-])cccc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000914074371 647145779 /nfs/dbraw/zinc/14/57/79/647145779.db2.gz DCGFYNFJEZBEAD-QWHCGFSZSA-N 0 3 323.412 2.451 20 10 DECDHN C[C@H](CNC(=O)NCc1c([O-])cccc1F)[N@H+]1CCC[C@H](C)C1 ZINC000914074371 647145781 /nfs/dbraw/zinc/14/57/81/647145781.db2.gz DCGFYNFJEZBEAD-QWHCGFSZSA-N 0 3 323.412 2.451 20 10 DECDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])[C@@H]1n1cccn1 ZINC000816672091 647167163 /nfs/dbraw/zinc/16/71/63/647167163.db2.gz PKAVXMLJLOKRDF-BMFZPTHFSA-N 0 3 305.353 2.236 20 10 DECDHN C[C@@H]1C[C@H]([NH2+]CCCCS(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000818348914 647457517 /nfs/dbraw/zinc/45/75/17/647457517.db2.gz BCBWATKSDCVXGK-PWSUYJOCSA-N 0 3 315.410 2.494 20 10 DECDHN [O-]c1ccccc1C[N@H+](CCO[C@H]1CCOC1)C[C@@H]1CCCO1 ZINC000929973111 647992306 /nfs/dbraw/zinc/99/23/06/647992306.db2.gz WFTGUOMFIFTYFG-IRXDYDNUSA-N 0 3 321.417 2.179 20 10 DECDHN [O-]c1ccccc1C[N@@H+](CCO[C@H]1CCOC1)C[C@@H]1CCCO1 ZINC000929973111 647992309 /nfs/dbraw/zinc/99/23/09/647992309.db2.gz WFTGUOMFIFTYFG-IRXDYDNUSA-N 0 3 321.417 2.179 20 10 DECDHN CC(C)N1CCC[C@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000823180701 648369195 /nfs/dbraw/zinc/36/91/95/648369195.db2.gz AEIWDEHHUNPDAZ-HNNXBMFYSA-N 0 3 313.401 2.429 20 10 DECDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000827539132 649048581 /nfs/dbraw/zinc/04/85/81/649048581.db2.gz ZBIKRTFZZPHZTM-IAGOWNOFSA-N 0 3 320.408 2.264 20 10 DECDHN COc1ccc(N2CCN(C(=O)CN(C)C(C)(C)C)CC2)cc1 ZINC000830536028 649458123 /nfs/dbraw/zinc/45/81/23/649458123.db2.gz ILUIPIJGCDYPHB-UHFFFAOYSA-N 0 3 319.449 2.074 20 10 DECDHN CC(C)O[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000844719433 651159961 /nfs/dbraw/zinc/15/99/61/651159961.db2.gz ZATCHWWJTASEDI-CZUORRHYSA-N 0 3 307.390 2.207 20 10 DECDHN CC(C)O[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000844719433 651159964 /nfs/dbraw/zinc/15/99/64/651159964.db2.gz ZATCHWWJTASEDI-CZUORRHYSA-N 0 3 307.390 2.207 20 10 DECDHN [O-]c1cc2c(cc1C[NH+]1CCC3(CC3(F)F)CC1)[C@@H](O)CO2 ZINC000844730771 651161900 /nfs/dbraw/zinc/16/19/00/651161900.db2.gz ZHCOODSHKKRQHU-ZDUSSCGKSA-N 0 3 311.328 2.439 20 10 DECDHN CCN(CC)c1ccc(CNC(=O)CN2CC[C@H](C)C2)cc1 ZINC000847358383 651391638 /nfs/dbraw/zinc/39/16/38/651391638.db2.gz WJSOVGSPDYZHLN-HNNXBMFYSA-N 0 3 303.450 2.491 20 10 DECDHN CCC(C)(C)N1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000848301835 651450672 /nfs/dbraw/zinc/45/06/72/651450672.db2.gz MMVPPRYCJAOHDR-VURMDHGXSA-N 0 3 318.417 2.444 20 10 DECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000848930615 651565734 /nfs/dbraw/zinc/56/57/34/651565734.db2.gz UCGGAUKAKPJJLV-HNNXBMFYSA-N 0 3 320.433 2.088 20 10 DECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000848930615 651565736 /nfs/dbraw/zinc/56/57/36/651565736.db2.gz UCGGAUKAKPJJLV-HNNXBMFYSA-N 0 3 320.433 2.088 20 10 DECDHN CN(C)c1ccc(CN[C@H]2Cc3ccccc3N(C)C2=O)cc1 ZINC000850353091 651908189 /nfs/dbraw/zinc/90/81/89/651908189.db2.gz SFDKACPECICRTA-KRWDZBQOSA-N 0 3 309.413 2.430 20 10 DECDHN COc1cccc([O-])c1C[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000850404322 651921316 /nfs/dbraw/zinc/92/13/16/651921316.db2.gz GTLHCYAZAJXYGN-UHFFFAOYSA-N 0 3 301.333 2.431 20 10 DECDHN COC[C@H](C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)OC ZINC000851841855 652256128 /nfs/dbraw/zinc/25/61/28/652256128.db2.gz YNHYPHVZYFHDOE-CVEARBPZSA-N 0 3 309.406 2.035 20 10 DECDHN COC[C@H](C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)OC ZINC000851841855 652256135 /nfs/dbraw/zinc/25/61/35/652256135.db2.gz YNHYPHVZYFHDOE-CVEARBPZSA-N 0 3 309.406 2.035 20 10 DECDHN COC(=O)CC(C)(C)NCc1cc(F)c(N(C)C)cc1F ZINC000858144047 652264946 /nfs/dbraw/zinc/26/49/46/652264946.db2.gz FDCULIPVDSKUJI-UHFFFAOYSA-N 0 3 300.349 2.462 20 10 DECDHN CN1CCOC[C@@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000858276709 652295247 /nfs/dbraw/zinc/29/52/47/652295247.db2.gz VTPWNQGYAHRFSA-SFHVURJKSA-N 0 3 312.413 2.479 20 10 DECDHN CN(C)c1ccc(CNC(=O)CN(C)C[C@@H]2CC2(C)C)cc1 ZINC000852773052 652454210 /nfs/dbraw/zinc/45/42/10/652454210.db2.gz VDTCLLFBCPKUJC-HNNXBMFYSA-N 0 3 303.450 2.347 20 10 DECDHN COCCN(CCOC)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000083104521 683997292 /nfs/dbraw/zinc/99/72/92/683997292.db2.gz GBWHSZKAZWCXDW-UHFFFAOYSA-N 0 3 311.422 2.490 20 10 DECDHN C[C@@H]1CCC[C@](CNC(=O)c2cccc(O)c2[O-])([NH+](C)C)C1 ZINC000192989234 684462215 /nfs/dbraw/zinc/46/22/15/684462215.db2.gz LXAVDTMTWKSGDY-PXAZEXFGSA-N 0 3 306.406 2.338 20 10 DECDHN O[C@H](CNCc1ccc(N2CCOCC2)c(F)c1)c1ccco1 ZINC000304489625 685255153 /nfs/dbraw/zinc/25/51/53/685255153.db2.gz CTMCXRULFQEGAS-MRXNPFEDSA-N 0 3 320.364 2.079 20 10 DECDHN COC(=O)c1ccc(CNCc2ccc(N(C)C)cc2)n1C ZINC000873009736 689140146 /nfs/dbraw/zinc/14/01/46/689140146.db2.gz TTZLGHSLXPGEFM-UHFFFAOYSA-N 0 3 301.390 2.168 20 10 DECDHN CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1c(C)cccc1[O-])CC2 ZINC000876763865 689929598 /nfs/dbraw/zinc/92/95/98/689929598.db2.gz MFLLYRWTGZJXAR-SJORKVTESA-N 0 3 305.418 2.453 20 10 DECDHN COc1ccc(N2CC[C@H](NC(=O)[C@H](N)CCC(C)C)C2)cc1 ZINC000876959778 689983741 /nfs/dbraw/zinc/98/37/41/689983741.db2.gz OZBLLFJNRQCBGI-WMLDXEAASA-N 0 3 319.449 2.154 20 10 DECDHN CCOC(=O)c1ccc(C[NH2+]Cc2ccc(OC)cc2[O-])[nH]1 ZINC000877493138 690130332 /nfs/dbraw/zinc/13/03/32/690130332.db2.gz GSBKOUVRVIPHBE-UHFFFAOYSA-N 0 3 304.346 2.195 20 10 DECDHN Cc1ccc(C[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)c([O-])c1 ZINC000877584897 690158751 /nfs/dbraw/zinc/15/87/51/690158751.db2.gz KOMUIQPYAFKQIV-MRXNPFEDSA-N 0 3 321.417 2.206 20 10 DECDHN Cc1cccc(CNC[C@H](n2cncn2)C(F)(F)F)c1O ZINC000877676168 690187368 /nfs/dbraw/zinc/18/73/68/690187368.db2.gz YBFJSMXDCHSLLJ-NSHDSACASA-N 0 3 300.284 2.185 20 10 DECDHN C[C@H]([NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000879650731 690699065 /nfs/dbraw/zinc/69/90/65/690699065.db2.gz PQUCZLGDNXZEDL-YVEFUNNKSA-N 0 3 324.421 2.319 20 10 DECDHN CCN(CCCO)Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894055936 692974456 /nfs/dbraw/zinc/97/44/56/692974456.db2.gz WXRIZJZMIXJERL-UHFFFAOYSA-N 0 3 322.380 2.308 20 10 DECDHN CNC(=O)c1cccc(CNCc2cc(C)cc(OC)c2O)c1 ZINC001333704952 1150081606 /nfs/dbraw/zinc/08/16/06/1150081606.db2.gz IYWJMGBBMAVHCY-UHFFFAOYSA-N 0 3 314.385 2.359 20 10 DECDHN O=C(NCc1c([O-])cccc1F)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC001358168380 1152368645 /nfs/dbraw/zinc/36/86/45/1152368645.db2.gz QZWBUWFVBPXBIV-GOSISDBHSA-N 0 3 314.360 2.079 20 10 DECDHN Cc1ccc([O-])c(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)c1 ZINC001347710139 1151092457 /nfs/dbraw/zinc/09/24/57/1151092457.db2.gz SZBJIDRMUDXDEC-KRWDZBQOSA-N 0 3 305.418 2.358 20 10 DECDHN CN(C)CCN(C(=O)/C=C\c1ccc(O)c(O)c1)C1CCCC1 ZINC000588406516 777082547 /nfs/dbraw/zinc/08/25/47/777082547.db2.gz OFNDNWLTHAPGNM-NTMALXAHSA-N 0 3 318.417 2.444 20 10 DECDHN CCOC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(O)c2[O-])CC1 ZINC001169661628 785292646 /nfs/dbraw/zinc/29/26/46/785292646.db2.gz KKWXDQIQMZRFOL-CYBMUJFWSA-N 0 3 308.378 2.198 20 10 DECDHN COc1cc(C)c(C[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)c([O-])c1 ZINC001182872134 795770729 /nfs/dbraw/zinc/77/07/29/795770729.db2.gz BEGMGKKYBXNXEJ-YOEYROIRSA-N 0 3 311.447 2.489 20 10 DECDHN CCCCOC1CN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC001139409990 796372226 /nfs/dbraw/zinc/37/22/26/796372226.db2.gz ZJEBXSPLGDHBKA-UHFFFAOYSA-N 0 3 317.477 2.439 20 10 DECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H](Oc2ncccn2)C1 ZINC001140060251 796472481 /nfs/dbraw/zinc/47/24/81/796472481.db2.gz REHOYBYZXPWNLF-CQSZACIVSA-N 0 3 303.337 2.365 20 10 DECDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H](Oc2ncccn2)C1 ZINC001140060251 796472484 /nfs/dbraw/zinc/47/24/84/796472484.db2.gz REHOYBYZXPWNLF-CQSZACIVSA-N 0 3 303.337 2.365 20 10 DECDHN C[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2F)C[C@]1(C)O ZINC001140660182 796552366 /nfs/dbraw/zinc/55/23/66/796552366.db2.gz IRNPMZHBQLUERO-KDOFPFPSSA-N 0 3 322.424 2.255 20 10 DECDHN C[C@H]1CC[C@H](CO)CN1Cc1ccc(N2CCOCC2)cc1F ZINC001140660141 796552645 /nfs/dbraw/zinc/55/26/45/796552645.db2.gz HIKJGUCWWBEIQF-GJZGRUSLSA-N 0 3 322.424 2.255 20 10 DECDHN CN(C)c1ccc(CN2CCC(C)(C(N)=O)CC2)c(Cl)c1 ZINC001140924129 796598613 /nfs/dbraw/zinc/59/86/13/796598613.db2.gz MKCNKXHYDDVVKM-UHFFFAOYSA-N 0 3 309.841 2.493 20 10 DECDHN COc1cccc(O[C@@H]2CCN(Cc3cc(O)ccc3O)C2)n1 ZINC001141162828 796642959 /nfs/dbraw/zinc/64/29/59/796642959.db2.gz GPNGTRFFOALBAN-CQSZACIVSA-N 0 3 316.357 2.155 20 10 DECDHN Cc1ccnc(O[C@H]2CCCN(Cc3cc(O)ccc3O)C2)n1 ZINC001141162824 796643122 /nfs/dbraw/zinc/64/31/22/796643122.db2.gz GNFYRYAUDSOMGA-HNNXBMFYSA-N 0 3 315.373 2.240 20 10 DECDHN COc1cc(O[C@H]2CCN(Cc3cc(O)ccc3O)C2)ccn1 ZINC001141162734 796643223 /nfs/dbraw/zinc/64/32/23/796643223.db2.gz BMNWOLBMKSJPOC-HNNXBMFYSA-N 0 3 316.357 2.155 20 10 DECDHN CC(C)NC(=S)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001200792947 798681295 /nfs/dbraw/zinc/68/12/95/798681295.db2.gz QQFXSHHUPWVZLT-UHFFFAOYSA-N 0 3 307.463 2.229 20 10 DECDHN [O-]c1ccccc1C[N@@H+]1C[C@H]2CCN(c3ncccn3)C[C@H]2C1 ZINC001203553007 800078950 /nfs/dbraw/zinc/07/89/50/800078950.db2.gz YAXSOYYAPSVXSJ-GDBMZVCRSA-N 0 3 310.401 2.141 20 10 DECDHN [O-]c1ccccc1C[N@H+]1C[C@H]2CCN(c3ncccn3)C[C@H]2C1 ZINC001203553007 800078957 /nfs/dbraw/zinc/07/89/57/800078957.db2.gz YAXSOYYAPSVXSJ-GDBMZVCRSA-N 0 3 310.401 2.141 20 10 DECDHN O=C(NC1CC[NH+](Cc2ccccc2[O-])CC1)c1ccccn1 ZINC001203561362 800080715 /nfs/dbraw/zinc/08/07/15/800080715.db2.gz SKPYJRAFNVKXKP-UHFFFAOYSA-N 0 3 311.385 2.182 20 10 DECDHN COc1cccc(CN2C[C@H](CO)[C@@H](C(F)(F)F)C2)c1O ZINC001203585032 800084389 /nfs/dbraw/zinc/08/43/89/800084389.db2.gz LEPZZRGFEXCMFJ-MNOVXSKESA-N 0 3 305.296 2.003 20 10 DECDHN CCN1CC[C@@]2(CCC[N@H+](Cc3ccc(OC)cc3[O-])C2)C1=O ZINC001203629412 800094509 /nfs/dbraw/zinc/09/45/09/800094509.db2.gz JAOSTQNHAUZPLC-GOSISDBHSA-N 0 3 318.417 2.235 20 10 DECDHN CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(OC)cc3[O-])C2)C1=O ZINC001203629412 800094516 /nfs/dbraw/zinc/09/45/16/800094516.db2.gz JAOSTQNHAUZPLC-GOSISDBHSA-N 0 3 318.417 2.235 20 10 DECDHN CCN(C(C)=O)C1CC[NH+](Cc2ccc(OC)cc2[O-])CC1 ZINC001203634823 800097334 /nfs/dbraw/zinc/09/73/34/800097334.db2.gz WXDDVJOQMICKDI-UHFFFAOYSA-N 0 3 306.406 2.234 20 10 DECDHN COc1ccc(C[N@@H+]2CCC[C@@H](Oc3ncccn3)C2)c([O-])c1 ZINC001203635495 800097717 /nfs/dbraw/zinc/09/77/17/800097717.db2.gz YGSGCOBBXSQUGS-OAHLLOKOSA-N 0 3 315.373 2.234 20 10 DECDHN COc1ccc(C[N@H+]2CCC[C@@H](Oc3ncccn3)C2)c([O-])c1 ZINC001203635495 800097725 /nfs/dbraw/zinc/09/77/25/800097725.db2.gz YGSGCOBBXSQUGS-OAHLLOKOSA-N 0 3 315.373 2.234 20 10 DECDHN O=C1[C@H]2C[N@H+](Cc3ccc(O)cc3[O-])C[C@H]2CN1c1ccccc1 ZINC001204274183 800198006 /nfs/dbraw/zinc/19/80/06/800198006.db2.gz LDUYMHCZLJJIFX-YOEHRIQHSA-N 0 3 324.380 2.193 20 10 DECDHN O=C1[C@H]2C[N@@H+](Cc3ccc(O)cc3[O-])C[C@H]2CN1c1ccccc1 ZINC001204274183 800198010 /nfs/dbraw/zinc/19/80/10/800198010.db2.gz LDUYMHCZLJJIFX-YOEHRIQHSA-N 0 3 324.380 2.193 20 10 DECDHN CC(C)(C)c1cc([O-])c(CN2CC[NH2+]C[C@@H](O)C2)cc1Cl ZINC001210476100 801408326 /nfs/dbraw/zinc/40/83/26/801408326.db2.gz RMZAYOUKEZVHHG-GFCCVEGCSA-N 0 3 312.841 2.109 20 10 DECDHN [O-]c1ccc2ccccc2c1C[NH+]1CCN(c2ncncn2)CC1 ZINC001231589401 801690987 /nfs/dbraw/zinc/69/09/87/801690987.db2.gz HSDIZQXIUMFKRN-UHFFFAOYSA-N 0 3 321.384 2.053 20 10 DECDHN COc1cc(CN2CCC[C@@H](c3noc(C)n3)C2)c(O)cc1O ZINC001231633994 801699820 /nfs/dbraw/zinc/69/98/20/801699820.db2.gz FPNGMAZJKZONRM-LLVKDONJSA-N 0 3 319.361 2.177 20 10 DECDHN CCOC(=O)c1c(CN2CCC[C@H]2CO)c2ccccc2n1C ZINC001233270571 802059475 /nfs/dbraw/zinc/05/94/75/802059475.db2.gz RUIFFYOJEBLFGS-ZDUSSCGKSA-N 0 3 316.401 2.312 20 10 DECDHN Oc1cc(O)c(CN2CCC[C@](O)(C(F)(F)F)CC2)cc1O ZINC001233482935 802126113 /nfs/dbraw/zinc/12/61/13/802126113.db2.gz HZKQKJSYTOFAOE-CYBMUJFWSA-N 0 3 321.295 2.083 20 10 DECDHN Oc1cc(O)c(CN2CC[C@H](Oc3ccccc3)C2)cc1O ZINC001233484956 802127705 /nfs/dbraw/zinc/12/77/05/802127705.db2.gz DBXKHDOIKQBYNV-AWEZNQCLSA-N 0 3 301.342 2.457 20 10 DECDHN O=S1(=O)CCC[C@H](NCc2ccc(N3CCCCC3)cc2)C1 ZINC000315683072 802479960 /nfs/dbraw/zinc/47/99/60/802479960.db2.gz MDRYRBQOWABNCS-INIZCTEOSA-N 0 3 322.474 2.344 20 10 DECDHN Cc1noc([C@@H]2OCC[C@@H]2NCc2ccc(N(C)C)cc2)n1 ZINC001460572952 1058455521 /nfs/dbraw/zinc/45/55/21/1058455521.db2.gz HYWMJZOEBNBABF-LSDHHAIUSA-N 0 3 302.378 2.064 20 10 DECDHN CN(CCNC/C=C\Cl)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001493810129 1063971054 /nfs/dbraw/zinc/97/10/54/1063971054.db2.gz NRILSRUWWICUJH-POHYYUKSSA-N 0 3 323.784 2.263 20 10 DECDHN C[C@@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CN1C1CC1 ZINC001631593729 1078368290 /nfs/dbraw/zinc/36/82/90/1078368290.db2.gz RBQSJPVMEMZSTH-ZWNOBZJWSA-N 0 3 315.377 2.204 20 10 DECDHN COc1c([O-])c(CNC[C@H]2CCC(C)(C)C[NH2+]2)ccc1[N+](=O)[O-] ZINC001579136771 1067239438 /nfs/dbraw/zinc/23/94/38/1067239438.db2.gz RYAZBNYIKZKMCY-GFCCVEGCSA-N 0 3 323.393 2.177 20 10 DECDHN O=C(NCc1ccccc1O)Nc1ccc2c(c1)OCCNC2 ZINC001580721276 1075982261 /nfs/dbraw/zinc/98/22/61/1075982261.db2.gz CDUAEVPTHYXGGT-UHFFFAOYSA-N 0 3 313.357 2.196 20 10 DECDHN O=C1C[C@H](NCc2ccc(N3CCCC3)cc2)CN1CC1CC1 ZINC001651477443 1079813935 /nfs/dbraw/zinc/81/39/35/1079813935.db2.gz WFMXQVFKJNROQH-KRWDZBQOSA-N 0 3 313.445 2.387 20 10 DECDHN CCN(C)c1ccc(CN2CCC[C@H](NC(=O)NC)C2)cc1 ZINC001655581908 1080006467 /nfs/dbraw/zinc/00/64/67/1080006467.db2.gz XAZTXNMVFHIKIB-HNNXBMFYSA-N 0 3 304.438 2.036 20 10 DECDHN COc1cc(C)c(CN2C[C@H](C)O[C@@]3(CCOC3)C2)c(O)c1 ZINC001657886057 1080188117 /nfs/dbraw/zinc/18/81/17/1080188117.db2.gz KBABYENOSFQDSN-GUYCJALGSA-N 0 3 307.390 2.089 20 10 DECDHN COc1cc(C)c(CN2C[C@@H](C)O[C@@]3(CCCOC3)C2)c(O)c1 ZINC001659017955 1080225543 /nfs/dbraw/zinc/22/55/43/1080225543.db2.gz BIVOLLDVEMDTHN-KDOFPFPSSA-N 0 3 321.417 2.479 20 10 DECDHN O=C1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])CN1c1ccccc1 ZINC001659447280 1080240805 /nfs/dbraw/zinc/24/08/05/1080240805.db2.gz UJOIGXFGMSYDTJ-AWEZNQCLSA-N 0 3 300.333 2.426 20 10 DECDHN Cc1cc(O)c(CN2C[C@@H](O)C[C@H]2C)cc1Br ZINC001237678149 1080472829 /nfs/dbraw/zinc/47/28/29/1080472829.db2.gz VGYYQHDYHCVORT-KOLCDFICSA-N 0 3 300.196 2.418 20 10 DECDHN COc1ccc(C[NH2+]C23CC(C(=O)NC(C)(C)C)(C2)C3)c([O-])c1 ZINC001277453654 1083979681 /nfs/dbraw/zinc/97/96/81/1083979681.db2.gz DTOBCDANLTXTSQ-UHFFFAOYSA-N 0 3 318.417 2.328 20 10 DECDHN CN(C)C(=O)[C@@]12C[C@@H]1CN(Cc1ccc(N(C)C)cc1Cl)C2 ZINC001277552079 1084032252 /nfs/dbraw/zinc/03/22/52/1084032252.db2.gz UJPSQTHOJBDPDO-CXAGYDPISA-N 0 3 321.852 2.316 20 10 DECDHN CCOc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NC)CC2)c([O-])c1 ZINC001274765010 1091403283 /nfs/dbraw/zinc/40/32/83/1091403283.db2.gz GQBTYWXQKKJLFW-HNNXBMFYSA-N 0 3 318.417 2.139 20 10 DECDHN Cc1cc([O-])c(CN2CC(O)([C@@H]3CCCC[NH2+]3)C2)cc1Cl ZINC001236164256 1138335702 /nfs/dbraw/zinc/33/57/02/1138335702.db2.gz FAHCOEPAERVFDB-HNNXBMFYSA-N 0 3 310.825 2.043 20 10 DECDHN CCc1ccc(CN2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)c(O)c1 ZINC001236786610 1138427225 /nfs/dbraw/zinc/42/72/25/1138427225.db2.gz FMAJCQKUTNNOLO-HDICACEKSA-N 0 3 316.445 2.250 20 10 DECDHN COc1cc(C)c(C[N@H+](C)C2CCN(C(C)=O)CC2)c([O-])c1 ZINC001236810058 1138434740 /nfs/dbraw/zinc/43/47/40/1138434740.db2.gz BGVKMDJPUJKXBO-UHFFFAOYSA-N 0 3 306.406 2.152 20 10 DECDHN COc1cc(C)c(C[N@@H+](C)C2CCN(C(C)=O)CC2)c([O-])c1 ZINC001236810058 1138434745 /nfs/dbraw/zinc/43/47/45/1138434745.db2.gz BGVKMDJPUJKXBO-UHFFFAOYSA-N 0 3 306.406 2.152 20 10 DECDHN COC(=O)[C@@H]1CCC[N@H+](Cc2c(C)cc(OC)cc2[O-])[C@H]1C ZINC001236810389 1138434994 /nfs/dbraw/zinc/43/49/94/1138434994.db2.gz FMKLKEJTRHAPAT-GXTWGEPZSA-N 0 3 307.390 2.483 20 10 DECDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2c(C)cc(OC)cc2[O-])[C@H]1C ZINC001236810389 1138435000 /nfs/dbraw/zinc/43/50/00/1138435000.db2.gz FMKLKEJTRHAPAT-GXTWGEPZSA-N 0 3 307.390 2.483 20 10 DECDHN COc1cc(C)c(CN2CCC[C@@H](NC(=O)C3CC3)C2)c(O)c1 ZINC001236816336 1138439158 /nfs/dbraw/zinc/43/91/58/1138439158.db2.gz SUPHVZAEUFHSTE-CQSZACIVSA-N 0 3 318.417 2.200 20 10 DECDHN CNC(=O)NC1CC[NH+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236834775 1138441566 /nfs/dbraw/zinc/44/15/66/1138441566.db2.gz CYDAFFJWHMTZOL-UHFFFAOYSA-N 0 3 313.401 2.439 20 10 DECDHN CCOc1ccc(C[N@H+]2CCc3ccc(=O)[nH]c3CC2)c([O-])c1 ZINC001237043269 1138487667 /nfs/dbraw/zinc/48/76/67/1138487667.db2.gz NSCMAPKLTIOWGV-UHFFFAOYSA-N 0 3 314.385 2.492 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCc3ccc(=O)[nH]c3CC2)c([O-])c1 ZINC001237043269 1138487673 /nfs/dbraw/zinc/48/76/73/1138487673.db2.gz NSCMAPKLTIOWGV-UHFFFAOYSA-N 0 3 314.385 2.492 20 10 DECDHN CCOc1ccc(CN2CCC[C@@H](NC(=O)CC)C2)c(O)c1 ZINC001237046570 1138487833 /nfs/dbraw/zinc/48/78/33/1138487833.db2.gz FDGRWTLBPAAUGX-CQSZACIVSA-N 0 3 306.406 2.282 20 10 DECDHN COC(=O)CC[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237056684 1138493371 /nfs/dbraw/zinc/49/33/71/1138493371.db2.gz BEDRRCVIEJYRLW-UHFFFAOYSA-N 0 3 321.295 2.328 20 10 DECDHN COC(=O)CC[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237056684 1138493379 /nfs/dbraw/zinc/49/33/79/1138493379.db2.gz BEDRRCVIEJYRLW-UHFFFAOYSA-N 0 3 321.295 2.328 20 10 DECDHN C[C@H]1C[C@@H](CO)N(Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237121124 1138508347 /nfs/dbraw/zinc/50/83/47/1138508347.db2.gz VGWNWXPYFCNYLW-UWVGGRQHSA-N 0 3 305.296 2.494 20 10 DECDHN C[C@H]1C[C@@H](CO)[N@H+](Cc2c([O-])cccc2OC(F)(F)F)C1 ZINC001237121124 1138508351 /nfs/dbraw/zinc/50/83/51/1138508351.db2.gz VGWNWXPYFCNYLW-UWVGGRQHSA-N 0 3 305.296 2.494 20 10 DECDHN C[C@H]1C[C@@H](CO)[N@@H+](Cc2c([O-])cccc2OC(F)(F)F)C1 ZINC001237121124 1138508362 /nfs/dbraw/zinc/50/83/62/1138508362.db2.gz VGWNWXPYFCNYLW-UWVGGRQHSA-N 0 3 305.296 2.494 20 10 DECDHN C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1c([O-])cccc1OC(F)(F)F ZINC001237120098 1138508602 /nfs/dbraw/zinc/50/86/02/1138508602.db2.gz MCBIAPVPOMSLKI-ZJUUUORDSA-N 0 3 305.296 2.494 20 10 DECDHN C[C@@H]1[C@H](CO)CC[N@H+]1Cc1c([O-])cccc1OC(F)(F)F ZINC001237120098 1138508605 /nfs/dbraw/zinc/50/86/05/1138508605.db2.gz MCBIAPVPOMSLKI-ZJUUUORDSA-N 0 3 305.296 2.494 20 10 DECDHN C[C@@H]1[C@H](CO)CCN1Cc1c(O)cccc1OC(F)(F)F ZINC001237120098 1138508610 /nfs/dbraw/zinc/50/86/10/1138508610.db2.gz MCBIAPVPOMSLKI-ZJUUUORDSA-N 0 3 305.296 2.494 20 10 DECDHN CC[C@@H](C)N(C)Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237209079 1138532861 /nfs/dbraw/zinc/53/28/61/1138532861.db2.gz UJBZLRMWTPFQEC-CQSZACIVSA-N 0 3 310.463 2.152 20 10 DECDHN Cc1cccc(O)c1CN1CCN(CC(=O)OC(C)(C)C)CC1 ZINC001237489024 1138655761 /nfs/dbraw/zinc/65/57/61/1138655761.db2.gz COBGLQBIOKZNLH-UHFFFAOYSA-N 0 3 320.433 2.160 20 10 DECDHN Cc1cc(F)cc(CN2CCN(CCC(C)(C)O)CC2)c1O ZINC001238067261 1138819773 /nfs/dbraw/zinc/81/97/73/1138819773.db2.gz MOTLERPHQMNRRL-UHFFFAOYSA-N 0 3 310.413 2.118 20 10 DECDHN CCCN1CCCC[C@H]1C(=O)NCc1ccc(OC)cc1O ZINC001321100240 1141053419 /nfs/dbraw/zinc/05/34/19/1141053419.db2.gz KNEASSFMRYEFFF-HNNXBMFYSA-N 0 3 306.406 2.282 20 10 DECDHN CC[C@@H](F)CNC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001322093362 1141392294 /nfs/dbraw/zinc/39/22/94/1141392294.db2.gz GJUCLMQRFUBARN-CMPLNLGQSA-N 0 3 323.372 2.305 20 10 DECDHN CC[N@H+](CCC(N)=O)Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001249244827 1141864178 /nfs/dbraw/zinc/86/41/78/1141864178.db2.gz NVEYJGUXZXPXEB-UHFFFAOYSA-N 0 3 304.390 2.274 20 10 DECDHN CC[N@@H+](CCC(N)=O)Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001249244827 1141864181 /nfs/dbraw/zinc/86/41/81/1141864181.db2.gz NVEYJGUXZXPXEB-UHFFFAOYSA-N 0 3 304.390 2.274 20 10 DECDHN C[C@H](NC[C@@H](O)C(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC001253713154 1142896127 /nfs/dbraw/zinc/89/61/27/1142896127.db2.gz YSIJUDCECSDXJX-SWLSCSKDSA-N 0 3 308.422 2.106 20 10 DECDHN C[C@@H](NC(=O)c1ccc2c(c1)OCCNC2)c1ccccc1O ZINC001342406624 1143815723 /nfs/dbraw/zinc/81/57/23/1143815723.db2.gz SZQODJNXUYLQAT-GFCCVEGCSA-N 0 3 312.369 2.365 20 10 DECDHN CCOCc1cc(CN[C@@H]2CC(=O)N(C3CC3)C2)ccc1OC ZINC001308303921 1147466032 /nfs/dbraw/zinc/46/60/32/1147466032.db2.gz RZMDHUMJISKLIY-OAHLLOKOSA-N 0 3 318.417 2.085 20 10 DECDHN C[C@@H](NCC1(CS(C)(=O)=O)CC1)c1ccc(N(C)C)cc1 ZINC000090183249 185286196 /nfs/dbraw/zinc/28/61/96/185286196.db2.gz GRMHJRAKSCJPJM-CYBMUJFWSA-N 0 3 310.463 2.228 20 10 DECDHN CN(C)c1ccc(CNC(=O)CN2CCC3(CC3)CC2)cc1 ZINC000378325604 529780685 /nfs/dbraw/zinc/78/06/85/529780685.db2.gz GSRORUTVPSEXRQ-UHFFFAOYSA-N 0 3 301.434 2.245 20 10 DECDHN Cn1cc(CC[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cn1 ZINC000077284169 355195919 /nfs/dbraw/zinc/19/59/19/355195919.db2.gz XICZZFDSHAGUDM-QGZVFWFLSA-N 0 3 315.417 2.349 20 10 DECDHN Cn1cc(CC[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cn1 ZINC000077284169 355195923 /nfs/dbraw/zinc/19/59/23/355195923.db2.gz XICZZFDSHAGUDM-QGZVFWFLSA-N 0 3 315.417 2.349 20 10 DECDHN COC[C@H](O)CNCc1ccc(N(C)Cc2cccs2)cc1 ZINC000294930617 533116785 /nfs/dbraw/zinc/11/67/85/533116785.db2.gz BGNFWYFBTZXCMH-MRXNPFEDSA-N 0 3 320.458 2.481 20 10 DECDHN Cc1cc([O-])c(C[N@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)cc1C ZINC000284971626 131127283 /nfs/dbraw/zinc/12/72/83/131127283.db2.gz BGLOMUCCJWTZLW-DOTOQJQBSA-N 0 3 304.434 2.304 20 10 DECDHN Cc1cc([O-])c(C[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)cc1C ZINC000284971626 131127284 /nfs/dbraw/zinc/12/72/84/131127284.db2.gz BGLOMUCCJWTZLW-DOTOQJQBSA-N 0 3 304.434 2.304 20 10 DECDHN C[C@@H](CN(C)C)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000287986724 131309278 /nfs/dbraw/zinc/30/92/78/131309278.db2.gz KEFBAGUEFQAHDS-AWEZNQCLSA-N 0 3 318.465 2.377 20 10 DECDHN Cc1ccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c([O-])c1O ZINC000288579217 131331760 /nfs/dbraw/zinc/33/17/60/131331760.db2.gz XHLUEBLAFHHHNV-CHWSQXEVSA-N 0 3 304.390 2.105 20 10 DECDHN CC(C)OC(=O)CCN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000075611478 401764446 /nfs/dbraw/zinc/76/44/46/401764446.db2.gz XGSYVDCSNDFZLA-UHFFFAOYSA-N 0 3 320.433 2.297 20 10 DECDHN CCN(CC)c1ccc(CN2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000121083233 402013674 /nfs/dbraw/zinc/01/36/74/402013674.db2.gz BVVDTQWNLAHWTJ-LJQANCHMSA-N 0 3 317.477 2.439 20 10 DECDHN CCOc1cccc(CN2CCC(CC(=O)NC)CC2)c1O ZINC000093588034 402016406 /nfs/dbraw/zinc/01/64/06/402016406.db2.gz XHIWVNZRYYEYEX-UHFFFAOYSA-N 0 3 306.406 2.139 20 10 DECDHN CCOc1cccc(C[NH+]2CCC(CC(=O)NC)CC2)c1[O-] ZINC000093588034 402016408 /nfs/dbraw/zinc/01/64/08/402016408.db2.gz XHIWVNZRYYEYEX-UHFFFAOYSA-N 0 3 306.406 2.139 20 10 DECDHN CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000154085202 402191456 /nfs/dbraw/zinc/19/14/56/402191456.db2.gz FLHMJFFIDQNJLV-GFCCVEGCSA-N 0 3 320.414 2.151 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]C[C@]2(O)CCSC2)c1[O-] ZINC000184709780 402293836 /nfs/dbraw/zinc/29/38/36/402293836.db2.gz CZVSCDHLMBFCMC-CYBMUJFWSA-N 0 3 303.811 2.012 20 10 DECDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2COC3(CCOCC3)O2)c1 ZINC000186375217 402426218 /nfs/dbraw/zinc/42/62/18/402426218.db2.gz GRXJYBILAKSDIV-KBPBESRZSA-N 0 3 307.390 2.273 20 10 DECDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCN2CCN(C)CC2)c([O-])c1 ZINC000186569666 402442853 /nfs/dbraw/zinc/44/28/53/402442853.db2.gz JGXACSUPLXPTTQ-JKSUJKDBSA-N 0 3 305.466 2.377 20 10 DECDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CO[C@H](C)COC ZINC000278053321 402851320 /nfs/dbraw/zinc/85/13/20/402851320.db2.gz IZVNEIBUQWXJIK-GDBMZVCRSA-N 0 3 311.422 2.017 20 10 DECDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)CO[C@H](C)COC ZINC000278053321 402851323 /nfs/dbraw/zinc/85/13/23/402851323.db2.gz IZVNEIBUQWXJIK-GDBMZVCRSA-N 0 3 311.422 2.017 20 10 DECDHN COCCN(CCO)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279749453 402961777 /nfs/dbraw/zinc/96/17/77/402961777.db2.gz XXTLPEUAZLSSGE-UHFFFAOYSA-N 0 3 320.355 2.212 20 10 DECDHN COC[C@@H](CCO)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000280930104 403050707 /nfs/dbraw/zinc/05/07/07/403050707.db2.gz QHSZPVFZEWPYJW-GFCCVEGCSA-N 0 3 320.355 2.258 20 10 DECDHN C[C@@H](NCC1(S(C)(=O)=O)CC1)c1cc2c(cc1O)CCCC2 ZINC000281172437 403060006 /nfs/dbraw/zinc/06/00/06/403060006.db2.gz PZWPNBCICRIKGQ-GFCCVEGCSA-N 0 3 323.458 2.499 20 10 DECDHN C[C@@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000281172437 403060008 /nfs/dbraw/zinc/06/00/08/403060008.db2.gz PZWPNBCICRIKGQ-GFCCVEGCSA-N 0 3 323.458 2.499 20 10 DECDHN CC(C)[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)N(C)C ZINC000269190611 403124438 /nfs/dbraw/zinc/12/44/38/403124438.db2.gz MAPJSVKSNNWXQV-KRWDZBQOSA-N 0 3 303.450 2.489 20 10 DECDHN COc1cccc(C[NH2+]C2CCN(c3cc(C)[nH]n3)CC2)c1[O-] ZINC000276079413 403144485 /nfs/dbraw/zinc/14/44/85/403144485.db2.gz UDORAAIOPLAYNK-UHFFFAOYSA-N 0 3 316.405 2.191 20 10 DECDHN CCCOc1ccc(C[NH2+][C@@H]2CCC(=O)NC23CCC3)c([O-])c1 ZINC000282649547 403157940 /nfs/dbraw/zinc/15/79/40/403157940.db2.gz HSXZOSCZFQECCX-MRXNPFEDSA-N 0 3 318.417 2.472 20 10 DECDHN [O-]c1ccc(F)cc1C[NH2+]C1CCN(c2cccnn2)CC1 ZINC000277313775 403204056 /nfs/dbraw/zinc/20/40/56/403204056.db2.gz BOUAHGBWCZRAOV-UHFFFAOYSA-N 0 3 302.353 2.080 20 10 DECDHN CCOc1cccc(CN2CC[C@H](OC(=O)N(C)C)C2)c1O ZINC000295148324 403774679 /nfs/dbraw/zinc/77/46/79/403774679.db2.gz QWGMLMYSYPEFLE-ZDUSSCGKSA-N 0 3 308.378 2.063 20 10 DECDHN COc1cccc(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1O ZINC000289668430 403991719 /nfs/dbraw/zinc/99/17/19/403991719.db2.gz NNAJGJHLUSBTNQ-VXGBXAGGSA-N 0 3 319.323 2.394 20 10 DECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c1 ZINC000363870434 404232958 /nfs/dbraw/zinc/23/29/58/404232958.db2.gz VKXAVYVRBSWONX-CHWSQXEVSA-N 0 3 316.405 2.064 20 10 DECDHN CCOc1cccc(CN2CCC(C(=O)N(C)OC)CC2)c1O ZINC000291158553 404376505 /nfs/dbraw/zinc/37/65/05/404376505.db2.gz CCRUIVZCPRHRIB-UHFFFAOYSA-N 0 3 322.405 2.023 20 10 DECDHN CCOc1cccc(C[NH+]2CCC(C(=O)N(C)OC)CC2)c1[O-] ZINC000291158553 404376511 /nfs/dbraw/zinc/37/65/11/404376511.db2.gz CCRUIVZCPRHRIB-UHFFFAOYSA-N 0 3 322.405 2.023 20 10 DECDHN CCNC(=O)CNCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000367532140 405075807 /nfs/dbraw/zinc/07/58/07/405075807.db2.gz XSIYWVMYCZEQKZ-UHFFFAOYSA-N 0 3 323.440 2.475 20 10 DECDHN COc1ccc([O-])c(C[NH+]2CCC(C)(N3CCOCC3)CC2)c1 ZINC000529663277 405763519 /nfs/dbraw/zinc/76/35/19/405763519.db2.gz IQRHCAWKALNYTK-UHFFFAOYSA-N 0 3 320.433 2.088 20 10 DECDHN CC[C@@H]([NH2+][C@@H](CC)c1ccc(C)cc1[O-])C(=O)N1CCOCC1 ZINC000279966136 286923102 /nfs/dbraw/zinc/92/31/02/286923102.db2.gz CQHAQTPOUSPBRC-JKSUJKDBSA-N 0 3 320.433 2.379 20 10 DECDHN C[C@@H](NC[C@@H]1COC2(CCOCC2)O1)c1ccc(N(C)C)cc1 ZINC000179987808 287033846 /nfs/dbraw/zinc/03/38/46/287033846.db2.gz ZHBOKDZAZVSMIW-RHSMWYFYSA-N 0 3 320.433 2.325 20 10 DECDHN CC[C@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)N(C)C ZINC000298684605 287454379 /nfs/dbraw/zinc/45/43/79/287454379.db2.gz USTUFVITGBXGFW-JKSUJKDBSA-N 0 3 320.433 2.240 20 10 DECDHN Cc1cc(C(=O)NC2CC[NH+](Cc3ccccc3[O-])CC2)no1 ZINC000374282425 227131179 /nfs/dbraw/zinc/13/11/79/227131179.db2.gz HBCCPBRGEJFGOM-UHFFFAOYSA-N 0 3 315.373 2.083 20 10 DECDHN CC[C@H]([NH2+]C[C@H](C)CN1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000286323393 288047199 /nfs/dbraw/zinc/04/71/99/288047199.db2.gz XQRXDSDKSRMYDR-YOEHRIQHSA-N 0 3 323.456 2.456 20 10 DECDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCN(C)C1CC1 ZINC000264875539 521317086 /nfs/dbraw/zinc/31/70/86/521317086.db2.gz PXNWZRDUHOYZOJ-UHFFFAOYSA-N 0 3 318.465 2.378 20 10 DECDHN CCN1CCCC[C@@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181066904 521590523 /nfs/dbraw/zinc/59/05/23/521590523.db2.gz SRKSKVLEPYYVGP-RCQQVGEISA-N 0 3 304.390 2.102 20 10 DECDHN CCCN(Cc1ccccc1O)C(=O)NCCN(C)C1CC1 ZINC000264910259 521687607 /nfs/dbraw/zinc/68/76/07/521687607.db2.gz WTBRFXTYIGKFKC-UHFFFAOYSA-N 0 3 305.422 2.408 20 10 DECDHN CN(C)C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000128072550 521851231 /nfs/dbraw/zinc/85/12/31/521851231.db2.gz SCXQXLZSJPKQAO-LJQANCHMSA-N 0 3 317.477 2.439 20 10 DECDHN CN(C)c1ccc(CN[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000182232472 522211621 /nfs/dbraw/zinc/21/16/21/522211621.db2.gz YQYNKDYTNPMSST-JKSUJKDBSA-N 0 3 310.463 2.198 20 10 DECDHN Cc1cccc(CN[C@H]2CCCc3c2cnn3CCO)c1O ZINC000317382267 534717076 /nfs/dbraw/zinc/71/70/76/534717076.db2.gz VANZVEDZRPDZJX-HNNXBMFYSA-N 0 3 301.390 2.057 20 10 DECDHN Cc1cccc(C[NH2+][C@H]2CCCc3c2cnn3CCO)c1[O-] ZINC000317382267 534717079 /nfs/dbraw/zinc/71/70/79/534717079.db2.gz VANZVEDZRPDZJX-HNNXBMFYSA-N 0 3 301.390 2.057 20 10 DECDHN COc1ccnc(N2CCN(Cc3cccc(C)c3O)CC2)c1 ZINC000180047238 524845068 /nfs/dbraw/zinc/84/50/68/524845068.db2.gz BGQYPQXEGGFLDW-UHFFFAOYSA-N 0 3 313.401 2.426 20 10 DECDHN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000157550123 524893116 /nfs/dbraw/zinc/89/31/16/524893116.db2.gz ZXCPKFMKZSKMBH-XUXIUFHCSA-N 0 3 320.433 2.406 20 10 DECDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)ccc2[O-])[C@@]12CCCO2 ZINC000272666877 535410791 /nfs/dbraw/zinc/41/07/91/535410791.db2.gz JFKTWQQNHNHXSR-ZACQAIPSSA-N 0 3 307.390 2.217 20 10 DECDHN CCN1CCC(NC(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000299466944 535468941 /nfs/dbraw/zinc/46/89/41/535468941.db2.gz ZSJINOZBNKQVQI-UHFFFAOYSA-N 0 3 322.428 2.175 20 10 DECDHN CN(C)c1ccc(/C=C\CN2CCN(CCO)C(C)(C)C2)cc1 ZINC000835046074 649871591 /nfs/dbraw/zinc/87/15/91/649871591.db2.gz RIZLDHJHCSGSLN-WAYWQWQTSA-N 0 3 317.477 2.154 20 10 DECDHN CN(C)c1ccc(/C=C\CN(C)[C@@H]2CCN3CCO[C@H]2C3)cc1 ZINC000835054996 649873017 /nfs/dbraw/zinc/87/30/17/649873017.db2.gz PBTBCTFMTXXJJQ-LSLCWXNRSA-N 0 3 315.461 2.171 20 10 DECDHN CCOc1ccc(C[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)c([O-])c1 ZINC000835075043 649875894 /nfs/dbraw/zinc/87/58/94/649875894.db2.gz UUOSQJDWCCEJJV-UKRRQHHQSA-N 0 3 304.390 2.034 20 10 DECDHN [O-]c1ccc(Br)cc1CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000311211905 625303256 /nfs/dbraw/zinc/30/32/56/625303256.db2.gz LMRJEHXCWSADQF-ZWNOBZJWSA-N 0 3 311.223 2.339 20 10 DECDHN Cc1nocc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891245787 623790211 /nfs/dbraw/zinc/79/02/11/623790211.db2.gz JDLDKFAGNMXEOU-INIZCTEOSA-N 0 3 316.405 2.082 20 10 DECDHN CC[C@H](C)OCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251061 623797230 /nfs/dbraw/zinc/79/72/30/623797230.db2.gz CRFINMNLSKFUIV-YOEHRIQHSA-N 0 3 321.465 2.287 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)Cc2ccco2)N(C)C)cc1 ZINC000891253182 623799490 /nfs/dbraw/zinc/79/94/90/623799490.db2.gz RHXIENOOHMHIAP-KRWDZBQOSA-N 0 3 315.417 2.307 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccccn2)N(C)C)cc1 ZINC000891258148 623804608 /nfs/dbraw/zinc/80/46/08/623804608.db2.gz OLKDNTLVEYSNEW-QGZVFWFLSA-N 0 3 312.417 2.180 20 10 DECDHN CC(C)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891445649 624186558 /nfs/dbraw/zinc/18/65/58/624186558.db2.gz RBTPITSFIQRVSN-MRXNPFEDSA-N 0 3 306.454 2.311 20 10 DECDHN COc1cccc([O-])c1C[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000725845089 625944418 /nfs/dbraw/zinc/94/44/18/625944418.db2.gz JYFMLFSSGWOECR-UHFFFAOYSA-N 0 3 324.384 2.330 20 10 DECDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000840934628 634782458 /nfs/dbraw/zinc/78/24/58/634782458.db2.gz SWSYBEMXWSOTML-UNEWFSDZSA-N 0 3 301.434 2.160 20 10 DECDHN Cc1cc(N(C)C)ccc1CNCc1c2c(nn1C)CCOC2 ZINC000921748534 634833264 /nfs/dbraw/zinc/83/32/64/634833264.db2.gz WQMFWVFCYNOHGK-UHFFFAOYSA-N 0 3 314.433 2.157 20 10 DECDHN Cc1cc(N(C)C)ccc1CN1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000840952172 635424148 /nfs/dbraw/zinc/42/41/48/635424148.db2.gz UGIUHZPSTQXTDT-MRXNPFEDSA-N 0 3 318.465 2.297 20 10 DECDHN CC(C)(CNC(=O)NCc1c([O-])cccc1F)C[NH+]1CCCC1 ZINC000922177146 635967911 /nfs/dbraw/zinc/96/79/11/635967911.db2.gz FUAXGQKTUMBBRC-UHFFFAOYSA-N 0 3 323.412 2.453 20 10 DECDHN Cc1nc([C@@H]2OCC[C@@H]2C[NH2+]Cc2cc(Cl)ccc2[O-])n[nH]1 ZINC000922408676 636160875 /nfs/dbraw/zinc/16/08/75/636160875.db2.gz CDPGYJWDZJMPOT-QMTHXVAHSA-N 0 3 322.796 2.340 20 10 DECDHN COC(=O)[C@H]1[C@H](CNCc2ccc3c(c2)CCCN3C)C1(F)F ZINC000894209161 636449089 /nfs/dbraw/zinc/44/90/89/636449089.db2.gz OSCPJAAAFKGELV-DZGCQCFKSA-N 0 3 324.371 2.213 20 10 DECDHN COc1cc(C)cc(CN[C@H](C)C(=O)NCc2ccco2)c1O ZINC000894394503 636993444 /nfs/dbraw/zinc/99/34/44/636993444.db2.gz SOZCGQJWAYOKKV-GFCCVEGCSA-N 0 3 318.373 2.097 20 10 DECDHN O=C(NCc1c([O-])cccc1F)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000923450174 637188545 /nfs/dbraw/zinc/18/85/45/637188545.db2.gz FSPAJQLOKXQFMO-ZDUSSCGKSA-N 0 3 321.396 2.347 20 10 DECDHN O=C(NCc1c([O-])cccc1F)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000923450174 637188551 /nfs/dbraw/zinc/18/85/51/637188551.db2.gz FSPAJQLOKXQFMO-ZDUSSCGKSA-N 0 3 321.396 2.347 20 10 DECDHN CC[C@@H](NC1(C(=O)NCCOC)CC1)c1ccc(N(C)C)cc1 ZINC000840822706 650362528 /nfs/dbraw/zinc/36/25/28/650362528.db2.gz PIMRNTVSAQMSEE-MRXNPFEDSA-N 0 3 319.449 2.089 20 10 DECDHN c1cc(N2CCOCC2)ccc1CN1CC2(C1)CCOCC2 ZINC000839140898 637803979 /nfs/dbraw/zinc/80/39/79/637803979.db2.gz KIIBBIHCTWFOIQ-UHFFFAOYSA-N 0 3 302.418 2.136 20 10 DECDHN CCOC(=O)[C@H](C)C1CN(Cc2cc(C)cc(OC)c2O)C1 ZINC000895476990 638045535 /nfs/dbraw/zinc/04/55/35/638045535.db2.gz OPKPGRKCVHLNKR-GFCCVEGCSA-N 0 3 307.390 2.340 20 10 DECDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000840976382 650399181 /nfs/dbraw/zinc/39/91/81/650399181.db2.gz VOCDKUVKEPFFRW-HKUYNNGSSA-N 0 3 313.397 2.234 20 10 DECDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000840976382 650399183 /nfs/dbraw/zinc/39/91/83/650399183.db2.gz VOCDKUVKEPFFRW-HKUYNNGSSA-N 0 3 313.397 2.234 20 10 DECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H]([C@@]2(C)COC(=O)N2)C1 ZINC000896396392 638501434 /nfs/dbraw/zinc/50/14/34/638501434.db2.gz PJNFKAIJHYUCPN-YVEFUNNKSA-N 0 3 320.389 2.111 20 10 DECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H]([C@@]2(C)COC(=O)N2)C1 ZINC000896396392 638501440 /nfs/dbraw/zinc/50/14/40/638501440.db2.gz PJNFKAIJHYUCPN-YVEFUNNKSA-N 0 3 320.389 2.111 20 10 DECDHN [O-]c1cc2c(cc1C[NH+]1CCC(OC3CCC3)CC1)[C@@H](O)CO2 ZINC000841685046 650539293 /nfs/dbraw/zinc/53/92/93/650539293.db2.gz DGENQHTTXWTKQF-KRWDZBQOSA-N 0 3 319.401 2.352 20 10 DECDHN C[C@@H]1NCCN(C(=O)NCc2ccc(N3CCCC3)cc2)[C@H]1C ZINC000841710479 650547034 /nfs/dbraw/zinc/54/70/34/650547034.db2.gz WNBIFTHDQJIBPT-GJZGRUSLSA-N 0 3 316.449 2.179 20 10 DECDHN COc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2CC(N)=O)c1[O-] ZINC000761195823 640283908 /nfs/dbraw/zinc/28/39/08/640283908.db2.gz PHMSSSSIDCMXKW-GFCCVEGCSA-N 0 3 312.797 2.284 20 10 DECDHN COc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2CC(N)=O)c1[O-] ZINC000761195823 640283915 /nfs/dbraw/zinc/28/39/15/640283915.db2.gz PHMSSSSIDCMXKW-GFCCVEGCSA-N 0 3 312.797 2.284 20 10 DECDHN COc1cc(CN2CCCC[C@@H]2C2OCCO2)c(O)cc1C ZINC000768444764 641082148 /nfs/dbraw/zinc/08/21/48/641082148.db2.gz CKECNKCPKFTBON-CQSZACIVSA-N 0 3 307.390 2.437 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](c3ccco3)C1)[C@H](O)CO2 ZINC000768444384 641082183 /nfs/dbraw/zinc/08/21/83/641082183.db2.gz AQDSRVBXXPUGBZ-IAQYHMDHSA-N 0 3 301.342 2.401 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](c3ccco3)C1)[C@H](O)CO2 ZINC000768444384 641082188 /nfs/dbraw/zinc/08/21/88/641082188.db2.gz AQDSRVBXXPUGBZ-IAQYHMDHSA-N 0 3 301.342 2.401 20 10 DECDHN CN1CCN(c2ccc(CNCc3nccs3)cc2)CC1 ZINC000771824159 641555604 /nfs/dbraw/zinc/55/56/04/641555604.db2.gz MGKCUZATDZEWBQ-UHFFFAOYSA-N 0 3 302.447 2.185 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@]23CC(=O)N[C@H]2CCCC3)c1[O-] ZINC000898463445 641669202 /nfs/dbraw/zinc/66/92/02/641669202.db2.gz RFEYIAQYPMDTKZ-XJKSGUPXSA-N 0 3 324.808 2.345 20 10 DECDHN CC[C@H](CO)N1CCN(Cc2ccc(N(C)CC)cc2)CC1 ZINC000773754107 641819710 /nfs/dbraw/zinc/81/97/10/641819710.db2.gz OQLYEJYZEYMJSA-QGZVFWFLSA-N 0 3 305.466 2.031 20 10 DECDHN CCCCNC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775256106 642022245 /nfs/dbraw/zinc/02/22/45/642022245.db2.gz VNLZSNGNAAQLKN-OAHLLOKOSA-N 0 3 319.449 2.090 20 10 DECDHN CCCCNC(=O)NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775832735 642102781 /nfs/dbraw/zinc/10/27/81/642102781.db2.gz AZGMCFLVFBVBFX-ZDUSSCGKSA-N 0 3 320.437 2.029 20 10 DECDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCCO1 ZINC000775834922 642103144 /nfs/dbraw/zinc/10/31/44/642103144.db2.gz VXVCBHYZKYNFLP-GRDNDAEWSA-N 0 3 319.449 2.087 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1C1CCOCC1)[C@@H](O)CO2 ZINC000776771746 642206624 /nfs/dbraw/zinc/20/66/24/642206624.db2.gz JBJDVQWEWJKZOB-WBVHZDCISA-N 0 3 319.401 2.209 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1C1CCOCC1)[C@@H](O)CO2 ZINC000776771746 642206627 /nfs/dbraw/zinc/20/66/27/642206627.db2.gz JBJDVQWEWJKZOB-WBVHZDCISA-N 0 3 319.401 2.209 20 10 DECDHN COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000776869740 642214209 /nfs/dbraw/zinc/21/42/09/642214209.db2.gz ZGDKEXDHAMVPKD-FRFSOERESA-N 0 3 309.406 2.172 20 10 DECDHN COC(=O)c1ccc([O-])c([C@H](C)NC[C@@H]2CCCCC[NH2+]2)c1 ZINC000902482107 643056882 /nfs/dbraw/zinc/05/68/82/643056882.db2.gz JFNCQIAJKAWRSL-JSGCOSHPSA-N 0 3 306.406 2.362 20 10 DECDHN [O-]c1cc2c(cc1C[NH+]1CCC([C@@H]3CCOC3)CC1)[C@@H](O)CO2 ZINC000784006306 643082317 /nfs/dbraw/zinc/08/23/17/643082317.db2.gz FOTJQXJJEBMNFI-DYVFJYSZSA-N 0 3 319.401 2.067 20 10 DECDHN CN(C)c1ccc(CN(C)C(=O)[C@H]2CCCN2C2CC2)cc1 ZINC000786765137 643407081 /nfs/dbraw/zinc/40/70/81/643407081.db2.gz OSCKVIZXBPJWSM-QGZVFWFLSA-N 0 3 301.434 2.338 20 10 DECDHN CC[NH+](CC)CC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000790773013 643892320 /nfs/dbraw/zinc/89/23/20/643892320.db2.gz OPUNACIEJZMBNA-UHFFFAOYSA-N 0 3 306.406 2.292 20 10 DECDHN COc1c([O-])c(CN(C)CC[C@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000843055902 650879152 /nfs/dbraw/zinc/87/91/52/650879152.db2.gz ALMOQUAUWPFJOM-LBPRGKRZSA-N 0 3 311.382 2.114 20 10 DECDHN COc1ccc(C[NH2+]Cc2cnc3nc(C)cc(C)n23)c([O-])c1 ZINC000793386490 644243426 /nfs/dbraw/zinc/24/34/26/644243426.db2.gz SWPWIRGZTFVGPU-UHFFFAOYSA-N 0 3 312.373 2.350 20 10 DECDHN C[C@H]1CN(Cc2cc3c(cc2O)CCC3)C[C@]2(CCOC2)O1 ZINC000794704809 644462878 /nfs/dbraw/zinc/46/28/78/644462878.db2.gz NSNBLSIWJSCWEA-UGSOOPFHSA-N 0 3 303.402 2.261 20 10 DECDHN CCCN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CCN(C)C1 ZINC000843989477 651059572 /nfs/dbraw/zinc/05/95/72/651059572.db2.gz OMAWGSXCPJHBSH-DYLGSBMWSA-N 0 3 304.390 2.054 20 10 DECDHN C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000912808005 646172098 /nfs/dbraw/zinc/17/20/98/646172098.db2.gz SDGFRYTZQBYUDT-GXTWGEPZSA-N 0 3 306.406 2.290 20 10 DECDHN Cn1nc2c(c1CNCc1cc3c(cc1O)OCO3)CCCC2 ZINC000812773236 646692845 /nfs/dbraw/zinc/69/28/45/646692845.db2.gz AZIMWBANERJZLM-UHFFFAOYSA-N 0 3 315.373 2.023 20 10 DECDHN CCC[C@@H](C)C(=O)NCC[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000814301043 646870473 /nfs/dbraw/zinc/87/04/73/646870473.db2.gz PGQGAOZBHVGAFB-CYBMUJFWSA-N 0 3 308.422 2.433 20 10 DECDHN CN(C)c1ccc(CN(C(=O)CN2CCCC2)C2CC2)cc1 ZINC000915216630 647495939 /nfs/dbraw/zinc/49/59/39/647495939.db2.gz JKFUKTALYMJMEH-UHFFFAOYSA-N 0 3 301.434 2.339 20 10 DECDHN C/C(=C/C(=O)N1C[C@H](N(C)C)Cc2ccccc21)c1cnccn1 ZINC000825805633 648813311 /nfs/dbraw/zinc/81/33/11/648813311.db2.gz KYBJFVSJSDLCQQ-SCOADAFUSA-N 0 3 322.412 2.399 20 10 DECDHN Cc1cc(N(C)C)ccc1CN1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000827544470 649048419 /nfs/dbraw/zinc/04/84/19/649048419.db2.gz BMAKIJANZPLKAY-KRWDZBQOSA-N 0 3 318.465 2.249 20 10 DECDHN CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000185021805 649423805 /nfs/dbraw/zinc/42/38/05/649423805.db2.gz WXXRTGHQWYFKMG-KBPBESRZSA-N 0 3 309.429 2.208 20 10 DECDHN COc1cccc([C@@H](C)N[C@@H]2CCN(C(C)(C)C)C2=O)c1O ZINC000846172365 651312928 /nfs/dbraw/zinc/31/29/28/651312928.db2.gz LPRIDGXNZIHPAW-DGCLKSJQSA-N 0 3 306.406 2.451 20 10 DECDHN CCc1cccc(CN2CCN(C[C@H]3CCCO3)CC2)c1O ZINC000848880000 651542712 /nfs/dbraw/zinc/54/27/12/651542712.db2.gz KQWCQSFHEVUSCR-QGZVFWFLSA-N 0 3 304.434 2.251 20 10 DECDHN COc1cc(CNC2(C(=O)N(C)C)CC2)c(O)c(C(C)(C)C)c1 ZINC000850324982 651898347 /nfs/dbraw/zinc/89/83/47/651898347.db2.gz PEGPWFZWIZRXBF-UHFFFAOYSA-N 0 3 320.433 2.409 20 10 DECDHN CCOc1ccc(C[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)c([O-])c1 ZINC000850400254 651920851 /nfs/dbraw/zinc/92/08/51/651920851.db2.gz CQWCUFQSSQRFBJ-GOSISDBHSA-N 0 3 323.433 2.448 20 10 DECDHN C[C@@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1ccccc1[O-] ZINC000850560485 651953722 /nfs/dbraw/zinc/95/37/22/651953722.db2.gz FJLFRWFYKGEYJG-ZIAGYGMSSA-N 0 3 303.406 2.333 20 10 DECDHN Fc1cc(CNCc2ccc(N3CCOCC3)cc2)ccn1 ZINC000858106994 652256083 /nfs/dbraw/zinc/25/60/83/652256083.db2.gz WSPPJIABHLNAIV-UHFFFAOYSA-N 0 3 301.365 2.347 20 10 DECDHN CN(C)c1ccc(CNC(=O)NC[C@H]2CCN2C(C)(C)C)cc1 ZINC000852412589 652397893 /nfs/dbraw/zinc/39/78/93/652397893.db2.gz WKILMWDNILZGFJ-MRXNPFEDSA-N 0 3 318.465 2.425 20 10 DECDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1CCCc3c1cnn3CCO)CC2 ZINC000391863004 685447331 /nfs/dbraw/zinc/44/73/31/685447331.db2.gz UBNOWCGQJLKAEG-GJZGRUSLSA-N 0 3 313.401 2.236 20 10 DECDHN Cc1cc(C(=O)N[C@@H]2CCN(C)[C@@H]2C)c(C)n1-c1ccccn1 ZINC000928457436 693785654 /nfs/dbraw/zinc/78/56/54/693785654.db2.gz XEXWXBXWFBACIS-GDBMZVCRSA-N 0 3 312.417 2.312 20 10 DECDHN COc1ccc(O)c([C@H](C)NCc2cccc(C(N)=O)c2)c1 ZINC000121219265 684107016 /nfs/dbraw/zinc/10/70/16/684107016.db2.gz NJFAXAVPFGUQTC-NSHDSACASA-N 0 3 300.358 2.351 20 10 DECDHN COc1ccc(O)c(CNC2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000126838417 684157812 /nfs/dbraw/zinc/15/78/12/684157812.db2.gz NLEMPDMQGNBXEZ-UHFFFAOYSA-N 0 3 308.378 2.110 20 10 DECDHN C[C@H](NCC(=O)NCc1ccco1)c1ccc(N(C)C)cc1 ZINC000128124735 684168586 /nfs/dbraw/zinc/16/85/86/684168586.db2.gz XKSLLJPYGUJLSO-ZDUSSCGKSA-N 0 3 301.390 2.313 20 10 DECDHN CN(C)Cc1cccc(C(=O)NCc2ccc(O)c(O)c2)c1 ZINC000159058461 684308678 /nfs/dbraw/zinc/30/86/78/684308678.db2.gz KQKMFHHBWCMPNI-UHFFFAOYSA-N 0 3 300.358 2.089 20 10 DECDHN CN(C)c1ccc(/C=C/CN(C)[C@@H]2CCC(=O)N(C)C2)cc1 ZINC000862428439 686300743 /nfs/dbraw/zinc/30/07/43/686300743.db2.gz QIFZNLHKTRUULL-FUTAKVPZSA-N 0 3 301.434 2.318 20 10 DECDHN CCON(CC)C(=O)CNCc1cc(Cl)cc(C)c1O ZINC000862451835 686304550 /nfs/dbraw/zinc/30/45/50/686304550.db2.gz HMAUWALOUMLWMC-UHFFFAOYSA-N 0 3 300.786 2.244 20 10 DECDHN CCON(CC)C(=O)C[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000862451835 686304554 /nfs/dbraw/zinc/30/45/54/686304554.db2.gz HMAUWALOUMLWMC-UHFFFAOYSA-N 0 3 300.786 2.244 20 10 DECDHN CCN(CC)c1ccc(CN2CC[C@](OC)(C(=O)OC)C2)cc1 ZINC000862474612 686306888 /nfs/dbraw/zinc/30/68/88/686306888.db2.gz WHEXKEFLOSXTSU-GOSISDBHSA-N 0 3 320.433 2.297 20 10 DECDHN COc1cccc([O-])c1C[NH2+]CCn1ccc(C(F)(F)F)n1 ZINC000873158480 689173180 /nfs/dbraw/zinc/17/31/80/689173180.db2.gz XSFHQJXACHQBJK-UHFFFAOYSA-N 0 3 315.295 2.406 20 10 DECDHN CC(C)N1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876565664 689859180 /nfs/dbraw/zinc/85/91/80/689859180.db2.gz YNWIVZJQLDUMOL-UHFFFAOYSA-N 0 3 317.477 2.174 20 10 DECDHN COCCOc1ncccc1CNCc1c(C)cccc1O ZINC000876936654 689977008 /nfs/dbraw/zinc/97/70/08/689977008.db2.gz XMPPDNQVLPHTDO-UHFFFAOYSA-N 0 3 302.374 2.411 20 10 DECDHN Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)c([O-])c1 ZINC000877110859 690020428 /nfs/dbraw/zinc/02/04/28/690020428.db2.gz FEJVTWJBPJZIRU-DLBZAZTESA-N 0 3 304.434 2.434 20 10 DECDHN Cc1ccc(C[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)c([O-])c1 ZINC000877126166 690024549 /nfs/dbraw/zinc/02/45/49/690024549.db2.gz FWZWLMRYCORMAN-AEFFLSMTSA-N 0 3 301.386 2.275 20 10 DECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000877636085 690174733 /nfs/dbraw/zinc/17/47/33/690174733.db2.gz MQMGXTIPUCEBGZ-QZTJIDSGSA-N 0 3 316.445 2.434 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(C)=O)c([O-])c1 ZINC000877674569 690186339 /nfs/dbraw/zinc/18/63/39/690186339.db2.gz MLCGLMAQZGEDLW-OAHLLOKOSA-N 0 3 306.406 2.282 20 10 DECDHN CCOc1ccc(C[N@H+]2CCCC[C@@H]2CNC(C)=O)c([O-])c1 ZINC000877674569 690186341 /nfs/dbraw/zinc/18/63/41/690186341.db2.gz MLCGLMAQZGEDLW-OAHLLOKOSA-N 0 3 306.406 2.282 20 10 DECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H](n1cncn1)C(F)(F)F ZINC000877675873 690187360 /nfs/dbraw/zinc/18/73/60/690187360.db2.gz VFLYZSOYZZVDHU-NSHDSACASA-N 0 3 304.247 2.016 20 10 DECDHN CC(C)CCOCCNC(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651834 690699168 /nfs/dbraw/zinc/69/91/68/690699168.db2.gz LZCXHHZVCKWQRX-AWEZNQCLSA-N 0 3 308.422 2.222 20 10 DECDHN C[C@H]([NH2+]CCn1cnc(Br)n1)c1ccccc1[O-] ZINC000879649645 690699305 /nfs/dbraw/zinc/69/93/05/690699305.db2.gz APNAAPJXDZEMLU-VIFPVBQESA-N 0 3 311.183 2.097 20 10 DECDHN CC[NH+](CC)CC[C@@H](CO)NCc1c([O-])cccc1Cl ZINC000883161594 691445018 /nfs/dbraw/zinc/44/50/18/691445018.db2.gz VYXAUMXDURKSJD-LBPRGKRZSA-N 0 3 300.830 2.228 20 10 DECDHN CN(C)c1ccc(CNC[C@@H](O)C(F)(F)C(F)(F)F)cc1 ZINC000883366671 691490046 /nfs/dbraw/zinc/49/00/46/691490046.db2.gz YCAMFOUUVRMXJY-LLVKDONJSA-N 0 3 312.282 2.401 20 10 DECDHN Cc1n[nH]c(CNCc2ccc(N3CCOCC3)cc2)c1C ZINC000885938164 691966600 /nfs/dbraw/zinc/96/66/00/691966600.db2.gz UIXNKAXOWIYLTH-UHFFFAOYSA-N 0 3 300.406 2.153 20 10 DECDHN CCOc1ccc(C[NH2+][C@@H](COC)[C@@H]2CCCOC2)c([O-])c1 ZINC000886359400 692065653 /nfs/dbraw/zinc/06/56/53/692065653.db2.gz BNLHMNXOYUWAOI-ZBFHGGJFSA-N 0 3 309.406 2.322 20 10 DECDHN C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)c2c1c(F)ccc2[O-] ZINC000926947677 693533728 /nfs/dbraw/zinc/53/37/28/693533728.db2.gz KMXLQLBNRZZSAD-FHEMJXCISA-N 0 3 307.365 2.473 20 10 DECDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCc3nnn(C)c3C2)c2c1c(F)ccc2[O-] ZINC000927148553 693560860 /nfs/dbraw/zinc/56/08/60/693560860.db2.gz WRALAUKPOCTOIM-NRUUGDAUSA-N 0 3 316.380 2.355 20 10 DECDHN COC(=O)C1(C2(O)CC[NH+](Cc3ccccc3[O-])CC2)CCC1 ZINC001335133035 1150378169 /nfs/dbraw/zinc/37/81/69/1150378169.db2.gz BXWPDPHIILCINK-UHFFFAOYSA-N 0 3 319.401 2.062 20 10 DECDHN Cc1ccc(C(=O)NCC(C)(C)C[NH+]2CCCC2)c([O-])c1O ZINC001343576748 1150754068 /nfs/dbraw/zinc/75/40/68/1150754068.db2.gz NHGZVUQIOPNMMC-UHFFFAOYSA-N 0 3 306.406 2.258 20 10 DECDHN CCN1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[C@@H]1C ZINC001072103198 790053093 /nfs/dbraw/zinc/05/30/93/790053093.db2.gz VIBFMKUMSCGWOQ-FZMZJTMJSA-N 0 3 317.393 2.452 20 10 DECDHN O=C1CCCN1[C@@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001116770974 794985234 /nfs/dbraw/zinc/98/52/34/794985234.db2.gz MLDUPAGAXNEHMW-GOSISDBHSA-N 0 3 313.445 2.484 20 10 DECDHN COc1cc(C)cc(CNCCS(=O)(=O)C(C)(C)C)c1O ZINC001119446289 795302000 /nfs/dbraw/zinc/30/20/00/795302000.db2.gz XCFWPXBOLICVDH-UHFFFAOYSA-N 0 3 315.435 2.012 20 10 DECDHN Cc1cc(N2CCN(Cc3c(O)cccc3F)CC2)nc(C)n1 ZINC001137837426 796144134 /nfs/dbraw/zinc/14/41/34/796144134.db2.gz GKJHJUSXJSWIOQ-UHFFFAOYSA-N 0 3 316.380 2.260 20 10 DECDHN OCCCN1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001138215798 796184153 /nfs/dbraw/zinc/18/41/53/796184153.db2.gz VTDJYJNHKJORQT-UHFFFAOYSA-N 0 3 317.477 2.177 20 10 DECDHN CN1CCCc2cc(CN3CCC[C@H](n4ccnn4)C3)ccc21 ZINC001138359006 796205502 /nfs/dbraw/zinc/20/55/02/796205502.db2.gz HEDAEMIJOJYRBW-KRWDZBQOSA-N 0 3 311.433 2.498 20 10 DECDHN CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3[O-])C[C@H]21 ZINC001140062736 796472432 /nfs/dbraw/zinc/47/24/32/796472432.db2.gz FRCUBMSHERZARG-NHAGDIPZSA-N 0 3 322.380 2.486 20 10 DECDHN CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3[O-])C[C@H]21 ZINC001140062736 796472436 /nfs/dbraw/zinc/47/24/36/796472436.db2.gz FRCUBMSHERZARG-NHAGDIPZSA-N 0 3 322.380 2.486 20 10 DECDHN Cc1c(O)ccc(CN2CCN(c3ccc(O)cc3)CC2)c1O ZINC001140742667 796566079 /nfs/dbraw/zinc/56/60/79/796566079.db2.gz UNBUVLPZWLOPGK-UHFFFAOYSA-N 0 3 314.385 2.434 20 10 DECDHN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCN(C)[C@@H]1CC ZINC001157102145 798144047 /nfs/dbraw/zinc/14/40/47/798144047.db2.gz JEUDZTXBNWIBKN-QWHCGFSZSA-N 0 3 311.422 2.224 20 10 DECDHN Cc1cccc(CNc2cccc(N3CCN(C)CC3)n2)c1O ZINC001160770211 798738553 /nfs/dbraw/zinc/73/85/53/798738553.db2.gz SYHNTJZIPXUYEQ-UHFFFAOYSA-N 0 3 312.417 2.460 20 10 DECDHN CCOC(=O)N1CCC([N@H+](C)Cc2cccc(OC)c2[O-])CC1 ZINC001203596536 800086663 /nfs/dbraw/zinc/08/66/63/800086663.db2.gz HWDGGAHSQWUWOK-UHFFFAOYSA-N 0 3 322.405 2.454 20 10 DECDHN CCOC(=O)N1CCC([N@@H+](C)Cc2cccc(OC)c2[O-])CC1 ZINC001203596536 800086671 /nfs/dbraw/zinc/08/66/71/800086671.db2.gz HWDGGAHSQWUWOK-UHFFFAOYSA-N 0 3 322.405 2.454 20 10 DECDHN CCOc1cccc(CN2C[C@@H]3C[C@H](C2)C3C(=O)OC)c1O ZINC001203617900 800091187 /nfs/dbraw/zinc/09/11/87/800091187.db2.gz XMTCMQFGHCMKRK-NNQSOWQGSA-N 0 3 305.374 2.032 20 10 DECDHN C[N@@H+]1CC[C@H]2CN(Cc3cc(Br)ccc3[O-])C[C@H]21 ZINC001203645717 800100109 /nfs/dbraw/zinc/10/01/09/800100109.db2.gz NAVIUVUBTDKRIY-GXFFZTMASA-N 0 3 311.223 2.291 20 10 DECDHN C[N@H+]1CC[C@H]2CN(Cc3cc(Br)ccc3[O-])C[C@H]21 ZINC001203645717 800100111 /nfs/dbraw/zinc/10/01/11/800100111.db2.gz NAVIUVUBTDKRIY-GXFFZTMASA-N 0 3 311.223 2.291 20 10 DECDHN COc1ccc(O)c(CN2CCC[C@H](Oc3ncccn3)C2)c1 ZINC001203681285 800104918 /nfs/dbraw/zinc/10/49/18/800104918.db2.gz SSZNRTYIMOAEQZ-HNNXBMFYSA-N 0 3 315.373 2.234 20 10 DECDHN COc1ccnc(O[C@H]2CC[N@H+](Cc3ccc(O)cc3[O-])C2)c1 ZINC001204277839 800199616 /nfs/dbraw/zinc/19/96/16/800199616.db2.gz MBEFYUKZYKXVLC-HNNXBMFYSA-N 0 3 316.357 2.155 20 10 DECDHN COc1ccnc(O[C@H]2CC[N@@H+](Cc3ccc(O)cc3[O-])C2)c1 ZINC001204277839 800199620 /nfs/dbraw/zinc/19/96/20/800199620.db2.gz MBEFYUKZYKXVLC-HNNXBMFYSA-N 0 3 316.357 2.155 20 10 DECDHN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCN2C(C)C)c1 ZINC000934941400 800505829 /nfs/dbraw/zinc/50/58/29/800505829.db2.gz XJPPJKVWKXJGAW-DOMZBBRYSA-N 0 3 306.406 2.451 20 10 DECDHN [NH3+][C@@H]1C[C@@H](F)CN(Cc2cc(Br)ccc2[O-])C1 ZINC001206405155 800526644 /nfs/dbraw/zinc/52/66/44/800526644.db2.gz OUTNBRDYPAHBSA-GHMZBOCLSA-N 0 3 303.175 2.026 20 10 DECDHN COC(=O)CO[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001231589004 801690890 /nfs/dbraw/zinc/69/08/90/801690890.db2.gz AEBKHTIRTVIFQJ-AWEZNQCLSA-N 0 3 315.369 2.309 20 10 DECDHN COC(=O)CO[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001231589004 801690897 /nfs/dbraw/zinc/69/08/97/801690897.db2.gz AEBKHTIRTVIFQJ-AWEZNQCLSA-N 0 3 315.369 2.309 20 10 DECDHN CN1CCN(C2CN(Cc3cc(C(C)(C)C)ccc3O)C2)CC1 ZINC001233286768 802065072 /nfs/dbraw/zinc/06/50/72/802065072.db2.gz IGPNGTNGSHNIDK-UHFFFAOYSA-N 0 3 317.477 2.121 20 10 DECDHN CN1CC2(C1)CN(Cc1cccc(OC(F)(F)F)c1O)C2 ZINC001233776179 802207461 /nfs/dbraw/zinc/20/74/61/802207461.db2.gz MIZTWZSYMZQZBO-UHFFFAOYSA-N 0 3 302.296 2.038 20 10 DECDHN COc1ccc2ccc(O)c(CN3CC[C@@](F)(CO)C3)c2c1 ZINC001234525201 802401256 /nfs/dbraw/zinc/40/12/56/802401256.db2.gz CLTXWAIVRHKWHS-KRWDZBQOSA-N 0 3 305.349 2.460 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@](F)(CO)C3)c2c1 ZINC001234525201 802401259 /nfs/dbraw/zinc/40/12/59/802401259.db2.gz CLTXWAIVRHKWHS-KRWDZBQOSA-N 0 3 305.349 2.460 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@](F)(CO)C3)c2c1 ZINC001234525201 802401262 /nfs/dbraw/zinc/40/12/62/802401262.db2.gz CLTXWAIVRHKWHS-KRWDZBQOSA-N 0 3 305.349 2.460 20 10 DECDHN Cc1ccc(C)n1-c1ccsc1C(=O)NOCCN(C)C ZINC001331185258 1149393100 /nfs/dbraw/zinc/39/31/00/1149393100.db2.gz SMGXKZLIBJGDHW-UHFFFAOYSA-N 0 3 307.419 2.379 20 10 DECDHN Cc1noc([C@@H]2OCC[C@@H]2NCc2ccc(N(C)C)c(C)c2)n1 ZINC001460573073 1058455932 /nfs/dbraw/zinc/45/59/32/1058455932.db2.gz JCRAAANJZOPUFP-GOEBONIOSA-N 0 3 316.405 2.372 20 10 DECDHN COC(=O)N1CCC(C[NH2+]Cc2c(C)cc(OC)cc2[O-])CC1 ZINC001462221245 1058785312 /nfs/dbraw/zinc/78/53/12/1058785312.db2.gz SIGWOLISQYVDDS-UHFFFAOYSA-N 0 3 322.405 2.277 20 10 DECDHN COc1cc(O)c(CNCc2cc(C)c[nH]c2=O)cc1OC ZINC001462639754 1058869078 /nfs/dbraw/zinc/86/90/78/1058869078.db2.gz BWLKZDBSPMNCFZ-UHFFFAOYSA-N 0 3 304.346 2.108 20 10 DECDHN O=C1N(CC(F)F)CC[C@@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001272618705 1079014994 /nfs/dbraw/zinc/01/49/94/1079014994.db2.gz NNBRDCUYUMFOMO-MRXNPFEDSA-N 0 3 310.344 2.082 20 10 DECDHN O=C1N(CC(F)F)CC[C@@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001272618705 1079015003 /nfs/dbraw/zinc/01/50/03/1079015003.db2.gz NNBRDCUYUMFOMO-MRXNPFEDSA-N 0 3 310.344 2.082 20 10 DECDHN COc1cc(C)c(CN2CCC[C@@H](OC(=O)N(C)C)C2)c(O)c1 ZINC001658144971 1080197551 /nfs/dbraw/zinc/19/75/51/1080197551.db2.gz WVPQZPJBJMKXHA-CYBMUJFWSA-N 0 3 322.405 2.372 20 10 DECDHN COc1cc(C)c(CN2CCCC[C@H]2C2OCCO2)c(O)c1 ZINC001658824359 1080217879 /nfs/dbraw/zinc/21/78/79/1080217879.db2.gz OTPFBOZYFNGHKS-HNNXBMFYSA-N 0 3 307.390 2.437 20 10 DECDHN Cc1cc([O-])c(C[NH2+][C@@H](C)[C@@H]2CN(C)CCN2C)cc1Cl ZINC001660047245 1080261264 /nfs/dbraw/zinc/26/12/64/1080261264.db2.gz HMOWUXZTAPESSE-WFASDCNBSA-N 0 3 311.857 2.078 20 10 DECDHN COc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)NC(C)(C)C)C2)c([O-])c1 ZINC001277454269 1083979711 /nfs/dbraw/zinc/97/97/11/1083979711.db2.gz PMFYOWPFYBQJKW-FZKQIMNGSA-N 0 3 318.417 2.137 20 10 DECDHN COc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C(=O)NC(C)(C)C)C2)c([O-])c1 ZINC001277454269 1083979718 /nfs/dbraw/zinc/97/97/18/1083979718.db2.gz PMFYOWPFYBQJKW-FZKQIMNGSA-N 0 3 318.417 2.137 20 10 DECDHN CC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c([O-])c1 ZINC001235677762 1084496810 /nfs/dbraw/zinc/49/68/10/1084496810.db2.gz HQNHHWXDPWNGFE-SWLSCSKDSA-N 0 3 302.418 2.258 20 10 DECDHN CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c([O-])c1 ZINC001235677762 1084496814 /nfs/dbraw/zinc/49/68/14/1084496814.db2.gz HQNHHWXDPWNGFE-SWLSCSKDSA-N 0 3 302.418 2.258 20 10 DECDHN Oc1cccc(F)c1CN1CCN(CCc2ccccn2)CC1 ZINC001137837420 1086614464 /nfs/dbraw/zinc/61/44/64/1086614464.db2.gz GGEIWUSFECMRCY-UHFFFAOYSA-N 0 3 315.392 2.287 20 10 DECDHN CCOc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NC)CC2)c([O-])c1 ZINC001274765011 1091403055 /nfs/dbraw/zinc/40/30/55/1091403055.db2.gz GQBTYWXQKKJLFW-OAHLLOKOSA-N 0 3 318.417 2.139 20 10 DECDHN CNC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)cc(C)c1[O-])CC2 ZINC001274099983 1093797287 /nfs/dbraw/zinc/79/72/87/1093797287.db2.gz RRDFNXGGMCQEBO-CQSZACIVSA-N 0 3 306.381 2.188 20 10 DECDHN C[N@H+](Cc1cc(O)c(Br)cc1[O-])CC1(C)COC1 ZINC001236775990 1138424862 /nfs/dbraw/zinc/42/48/62/1138424862.db2.gz SARFGLJRMBDJJV-UHFFFAOYSA-N 0 3 316.195 2.329 20 10 DECDHN C[N@@H+](Cc1cc(O)c(Br)cc1[O-])CC1(C)COC1 ZINC001236775990 1138424867 /nfs/dbraw/zinc/42/48/67/1138424867.db2.gz SARFGLJRMBDJJV-UHFFFAOYSA-N 0 3 316.195 2.329 20 10 DECDHN CCc1ccc(C[N@@H+]2C[C@H]3CN(CC4CC4)C(=O)[C@H]3C2)c([O-])c1 ZINC001236785106 1138427554 /nfs/dbraw/zinc/42/75/54/1138427554.db2.gz FMRIRPVRKOYARN-IRXDYDNUSA-N 0 3 314.429 2.255 20 10 DECDHN CCc1ccc(C[N@H+]2C[C@H]3CN(CC4CC4)C(=O)[C@H]3C2)c([O-])c1 ZINC001236785106 1138427557 /nfs/dbraw/zinc/42/75/57/1138427557.db2.gz FMRIRPVRKOYARN-IRXDYDNUSA-N 0 3 314.429 2.255 20 10 DECDHN CCCN(CC)Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237201977 1138529034 /nfs/dbraw/zinc/52/90/34/1138529034.db2.gz DLXMRRCJKFTBIR-UHFFFAOYSA-N 0 3 310.463 2.153 20 10 DECDHN CC(C)(CO)N1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001319711976 1140680259 /nfs/dbraw/zinc/68/02/59/1140680259.db2.gz NLTRVYQOSKVEJB-UHFFFAOYSA-N 0 3 317.477 2.175 20 10 DECDHN COC(=O)c1cccc(C[NH2+]Cc2ccc(OC)cc2[O-])c1 ZINC001321119634 1141059020 /nfs/dbraw/zinc/05/90/20/1141059020.db2.gz ZPJXZVKKXRWDKJ-UHFFFAOYSA-N 0 3 301.342 2.477 20 10 DECDHN COC(=O)Cc1ccc(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)c([O-])c1 ZINC001249179020 1141857312 /nfs/dbraw/zinc/85/73/12/1141857312.db2.gz YPWQCUZRQOJYCI-OLZOCXBDSA-N 0 3 311.328 2.195 20 10 DECDHN COC(=O)Cc1ccc(C[N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)c([O-])c1 ZINC001249179020 1141857313 /nfs/dbraw/zinc/85/73/13/1141857313.db2.gz YPWQCUZRQOJYCI-OLZOCXBDSA-N 0 3 311.328 2.195 20 10 DECDHN Cc1cc(C[N@@H+]2CC[C@@H](CO)C2)c([O-])cc1Br ZINC001250129137 1142087084 /nfs/dbraw/zinc/08/70/84/1142087084.db2.gz YQTYXJMJMCDQCE-SNVBAGLBSA-N 0 3 300.196 2.277 20 10 DECDHN Cc1cc(C[N@H+]2CC[C@@H](CO)C2)c([O-])cc1Br ZINC001250129137 1142087094 /nfs/dbraw/zinc/08/70/94/1142087094.db2.gz YQTYXJMJMCDQCE-SNVBAGLBSA-N 0 3 300.196 2.277 20 10 DECDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COc1cccc(F)c1 ZINC001250808582 1142322072 /nfs/dbraw/zinc/32/20/72/1142322072.db2.gz KPHUGOXQPULWIO-OAHLLOKOSA-N 0 3 305.349 2.403 20 10 DECDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)COc1cccc(F)c1 ZINC001250808582 1142322083 /nfs/dbraw/zinc/32/20/83/1142322083.db2.gz KPHUGOXQPULWIO-OAHLLOKOSA-N 0 3 305.349 2.403 20 10 DECDHN Cc1ccc(CN2CC[C@@H](NCc3ccc(N)cc3)C2=O)cc1 ZINC001336284669 1142395466 /nfs/dbraw/zinc/39/54/66/1142395466.db2.gz BPFRWZWWKJTHTP-GOSISDBHSA-N 0 3 309.413 2.468 20 10 DECDHN CCN(CC)c1ccc(CN[C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC001308303288 1147464609 /nfs/dbraw/zinc/46/46/09/1147464609.db2.gz HDESXNLSKVURII-HNNXBMFYSA-N 0 3 301.434 2.386 20 10 DECDHN CN(C)c1ccc(CN(CCO)CCOCC(F)(F)F)cc1 ZINC000093319866 193232224 /nfs/dbraw/zinc/23/22/24/193232224.db2.gz QBUDVCARLJVHPH-UHFFFAOYSA-N 0 3 320.355 2.126 20 10 DECDHN CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cc(C)ccc1[O-])CC2 ZINC000093614178 193273466 /nfs/dbraw/zinc/27/34/66/193273466.db2.gz XNVYBQKWQBSTBW-IRXDYDNUSA-N 0 3 305.418 2.453 20 10 DECDHN O=C1[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCN1CC(F)(F)F ZINC000296781358 285004625 /nfs/dbraw/zinc/00/46/25/285004625.db2.gz KTONIFSEFFBROO-GHMZBOCLSA-N 0 3 314.307 2.132 20 10 DECDHN C[C@H](NC(=O)N(C)Cc1ccccc1O)C1=CCN(C)CC1 ZINC000272744251 130060169 /nfs/dbraw/zinc/06/01/69/130060169.db2.gz DERAKTBMEGWZRB-ZDUSSCGKSA-N 0 3 303.406 2.184 20 10 DECDHN Cc1ccc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c([O-])c1O ZINC000272781657 130063884 /nfs/dbraw/zinc/06/38/84/130063884.db2.gz VHPGKFRXIALOHR-CYBMUJFWSA-N 0 3 306.406 2.353 20 10 DECDHN Cc1ccc(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c([O-])c1O ZINC000272781657 130063887 /nfs/dbraw/zinc/06/38/87/130063887.db2.gz VHPGKFRXIALOHR-CYBMUJFWSA-N 0 3 306.406 2.353 20 10 DECDHN C[C@@H](N[C@@H](CO)c1cnn(C)c1)c1cc2c(cc1O)CCCC2 ZINC000273452780 130124390 /nfs/dbraw/zinc/12/43/90/130124390.db2.gz GHTFBEIRNKDRCS-PXAZEXFGSA-N 0 3 315.417 2.389 20 10 DECDHN CCCOc1ccc(C[N@@H+]2CC[C@H]3OCCN(C)[C@@H]3C2)c([O-])c1 ZINC000284311228 131068378 /nfs/dbraw/zinc/06/83/78/131068378.db2.gz JLKXPDHFOWVVBK-SJLPKXTDSA-N 0 3 320.433 2.086 20 10 DECDHN CCCOc1ccc(C[N@H+]2CC[C@H]3OCCN(C)[C@@H]3C2)c([O-])c1 ZINC000284311228 131068379 /nfs/dbraw/zinc/06/83/79/131068379.db2.gz JLKXPDHFOWVVBK-SJLPKXTDSA-N 0 3 320.433 2.086 20 10 DECDHN CCCOc1ccc(CN2CCN(C[C@H](C)O)C[C@@H]2C)c(O)c1 ZINC000284471849 131083187 /nfs/dbraw/zinc/08/31/87/131083187.db2.gz VVOOGRQUIGISLL-GJZGRUSLSA-N 0 3 322.449 2.068 20 10 DECDHN CCOc1cccc(CN[C@H]2COc3ccccc3[C@H]2O)c1O ZINC000288427559 131325386 /nfs/dbraw/zinc/32/53/86/131325386.db2.gz BMRIVGQDBPDPHO-KBXCAEBGSA-N 0 3 315.369 2.375 20 10 DECDHN CCOc1cccc(C[NH2+][C@H]2COc3ccccc3[C@H]2O)c1[O-] ZINC000288427559 131325388 /nfs/dbraw/zinc/32/53/88/131325388.db2.gz BMRIVGQDBPDPHO-KBXCAEBGSA-N 0 3 315.369 2.375 20 10 DECDHN CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1cc(OC)ccc1[O-] ZINC000289247806 131368773 /nfs/dbraw/zinc/36/87/73/131368773.db2.gz DZVLITIOHAXXAF-CQSZACIVSA-N 0 3 306.406 2.282 20 10 DECDHN CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1cc(OC)ccc1[O-] ZINC000289247806 131368775 /nfs/dbraw/zinc/36/87/75/131368775.db2.gz DZVLITIOHAXXAF-CQSZACIVSA-N 0 3 306.406 2.282 20 10 DECDHN CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1cccc(OC)c1[O-] ZINC000289256537 131369386 /nfs/dbraw/zinc/36/93/86/131369386.db2.gz FKVZNSWZDZTCGJ-CQSZACIVSA-N 0 3 306.406 2.282 20 10 DECDHN CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1cccc(OC)c1[O-] ZINC000289256537 131369387 /nfs/dbraw/zinc/36/93/87/131369387.db2.gz FKVZNSWZDZTCGJ-CQSZACIVSA-N 0 3 306.406 2.282 20 10 DECDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COCc1cccs1 ZINC000121148505 402017572 /nfs/dbraw/zinc/01/75/72/402017572.db2.gz APIRTSIGVBQWKP-CQSZACIVSA-N 0 3 307.415 2.463 20 10 DECDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)COCc1cccs1 ZINC000121148505 402017576 /nfs/dbraw/zinc/01/75/76/402017576.db2.gz APIRTSIGVBQWKP-CQSZACIVSA-N 0 3 307.415 2.463 20 10 DECDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@H](COCCOC)C2)c1 ZINC000093755492 402019258 /nfs/dbraw/zinc/01/92/58/402019258.db2.gz UTWYWKFTGYCESU-AWEZNQCLSA-N 0 3 309.406 2.276 20 10 DECDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@H](COCCOC)C2)c1 ZINC000093755492 402019260 /nfs/dbraw/zinc/01/92/60/402019260.db2.gz UTWYWKFTGYCESU-AWEZNQCLSA-N 0 3 309.406 2.276 20 10 DECDHN CCCOc1ccc(CN2CCC[C@H]2C(=O)NC2CC2)c(O)c1 ZINC000121492627 402039967 /nfs/dbraw/zinc/03/99/67/402039967.db2.gz LLYAYQCSRRDSNJ-INIZCTEOSA-N 0 3 318.417 2.424 20 10 DECDHN CN(C)c1ccc(CNC(=O)CN2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000152828823 402111557 /nfs/dbraw/zinc/11/15/57/402111557.db2.gz JYCIWZCCJWBKTE-IYBDPMFKSA-N 0 3 301.434 2.101 20 10 DECDHN CCOc1cccc(C[NH2+]CC2(COC)CCOCC2)c1[O-] ZINC000291715397 404490582 /nfs/dbraw/zinc/49/05/82/404490582.db2.gz LXYUPXIIYMFWAB-UHFFFAOYSA-N 0 3 309.406 2.324 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]C[C@@]2(O)CCSC2)c1[O-] ZINC000184709799 402293852 /nfs/dbraw/zinc/29/38/52/402293852.db2.gz CZVSCDHLMBFCMC-ZDUSSCGKSA-N 0 3 303.811 2.012 20 10 DECDHN CN(C)c1ccc(CN(C)C(=O)CN2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000176265440 402295075 /nfs/dbraw/zinc/29/50/75/402295075.db2.gz PKYZMRZIFZRWOV-CALCHBBNSA-N 0 3 315.461 2.443 20 10 DECDHN C[C@H]([NH2+]CCNC(=O)C1CC1)c1cc2c(cc1[O-])CCCC2 ZINC000184866957 402305776 /nfs/dbraw/zinc/30/57/76/402305776.db2.gz KWGGJWVMKOKIBH-LBPRGKRZSA-N 0 3 302.418 2.448 20 10 DECDHN CCN1CCN(CCC[NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000185014253 402317500 /nfs/dbraw/zinc/31/75/00/402317500.db2.gz ZFPGUJWDGSUUHK-AWEZNQCLSA-N 0 3 309.429 2.210 20 10 DECDHN C[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1cc(F)ccc1[O-] ZINC000186028237 402397426 /nfs/dbraw/zinc/39/74/26/402397426.db2.gz XLFLZABFZRHPQD-JTQLQIEISA-N 0 3 303.399 2.395 20 10 DECDHN COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(C)cc1[O-])CC2 ZINC000186103203 402402078 /nfs/dbraw/zinc/40/20/78/402402078.db2.gz KCRIIOFTVVVEBZ-CHWSQXEVSA-N 0 3 316.405 2.104 20 10 DECDHN COc1cc([O-])c(C[NH2+]C[C@@H](O)c2ccc(F)cc2)cc1OC ZINC000278664598 402869513 /nfs/dbraw/zinc/86/95/13/402869513.db2.gz LAGQAAQPNQBQKY-OAHLLOKOSA-N 0 3 321.348 2.372 20 10 DECDHN CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cccc(C)c1[O-])CC2 ZINC000271813463 402884208 /nfs/dbraw/zinc/88/42/08/402884208.db2.gz MHEDKCAMPJETOB-JKSUJKDBSA-N 0 3 305.418 2.453 20 10 DECDHN CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cccc(C)c1[O-])CC2 ZINC000271813458 402884359 /nfs/dbraw/zinc/88/43/59/402884359.db2.gz MHEDKCAMPJETOB-HOTGVXAUSA-N 0 3 305.418 2.453 20 10 DECDHN CC[C@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1ccc(C)cc1[O-] ZINC000280262028 402981114 /nfs/dbraw/zinc/98/11/14/402981114.db2.gz XGFZFGLSNHSGGW-HOTGVXAUSA-N 0 3 319.449 2.081 20 10 DECDHN COC[C@@H](O)CN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268889997 403120851 /nfs/dbraw/zinc/12/08/51/403120851.db2.gz JPKHKRGQITUVDJ-ZFWWWQNUSA-N 0 3 310.413 2.474 20 10 DECDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCS(=O)(=O)[C@H]2C)c1[O-] ZINC000293852697 403580854 /nfs/dbraw/zinc/58/08/54/403580854.db2.gz HVJCAXCSNDFGBW-CABZTGNLSA-N 0 3 303.811 2.019 20 10 DECDHN Cc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c([O-])c1O ZINC000288579219 403758930 /nfs/dbraw/zinc/75/89/30/403758930.db2.gz XHLUEBLAFHHHNV-OLZOCXBDSA-N 0 3 304.390 2.105 20 10 DECDHN COc1ccc2c(c1)CCCCN2C[C@@H](O)CN(C)C1CC1 ZINC000289395467 286389084 /nfs/dbraw/zinc/38/90/84/286389084.db2.gz RQPVKGSDQKXSDT-INIZCTEOSA-N 0 3 304.434 2.293 20 10 DECDHN CCCOc1ccc(C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)c([O-])c1 ZINC000295195673 403792929 /nfs/dbraw/zinc/79/29/29/403792929.db2.gz XWAOOUWYGQUGAC-WMZOPIPTSA-N 0 3 320.433 2.086 20 10 DECDHN CCCOc1ccc(C[N@@H+](C)[C@H]2CCN3CCO[C@H]2C3)c([O-])c1 ZINC000295195673 403792935 /nfs/dbraw/zinc/79/29/35/403792935.db2.gz XWAOOUWYGQUGAC-WMZOPIPTSA-N 0 3 320.433 2.086 20 10 DECDHN Cc1cccc(C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)c1[O-] ZINC000289768734 403998728 /nfs/dbraw/zinc/99/87/28/403998728.db2.gz RFFUCWIIADTDKN-INIZCTEOSA-N 0 3 317.433 2.470 20 10 DECDHN COCCOC1(C[NH2+][C@H]2CCc3cccc([O-])c32)CCOCC1 ZINC000295861429 404016522 /nfs/dbraw/zinc/01/65/22/404016522.db2.gz BMRIRMRSSJRUGH-HNNXBMFYSA-N 0 3 321.417 2.181 20 10 DECDHN COc1cc(O)c(CN2CCOCC3(CCC3)C2)cc1OC ZINC000363971192 404272489 /nfs/dbraw/zinc/27/24/89/404272489.db2.gz LEUFOKMJQCYLRA-UHFFFAOYSA-N 0 3 307.390 2.412 20 10 DECDHN CS(=O)(=O)C[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000291799499 404527661 /nfs/dbraw/zinc/52/76/61/404527661.db2.gz BTXGLNVDVIZHFK-CYBMUJFWSA-N 0 3 319.426 2.412 20 10 DECDHN CS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000291799499 404527667 /nfs/dbraw/zinc/52/76/67/404527667.db2.gz BTXGLNVDVIZHFK-CYBMUJFWSA-N 0 3 319.426 2.412 20 10 DECDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N(C)Cc1ccccc1O ZINC000268185979 225377817 /nfs/dbraw/zinc/37/78/17/225377817.db2.gz UKVFIYAUNKHPGW-SWLSCSKDSA-N 0 3 303.406 2.016 20 10 DECDHN Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2ccccc2[O-])cn1 ZINC000374889568 227141671 /nfs/dbraw/zinc/14/16/71/227141671.db2.gz CCMGKAIQFSGQKS-NVXWUHKLSA-N 0 3 301.390 2.214 20 10 DECDHN Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2Cc2ccccc2[O-])cn1 ZINC000374889568 227141677 /nfs/dbraw/zinc/14/16/77/227141677.db2.gz CCMGKAIQFSGQKS-NVXWUHKLSA-N 0 3 301.390 2.214 20 10 DECDHN COc1cc([O-])c(C[NH2+]C2(C3CC3)CCOCC2)cc1OC ZINC000376385120 227168858 /nfs/dbraw/zinc/16/88/58/227168858.db2.gz KBYLYKDGMDVDIP-UHFFFAOYSA-N 0 3 307.390 2.458 20 10 DECDHN CCN(CC)CC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000068115516 276093414 /nfs/dbraw/zinc/09/34/14/276093414.db2.gz LQBOSOVIEWTABQ-UHFFFAOYSA-N 0 3 319.449 2.076 20 10 DECDHN COc1ccc(O)c(CN2CCC(Oc3cnccn3)CC2)c1 ZINC000369670681 534199519 /nfs/dbraw/zinc/19/95/19/534199519.db2.gz PGZOXWABTROSAZ-UHFFFAOYSA-N 0 3 315.373 2.234 20 10 DECDHN CN(C)c1ccc(/C=C\CN2CCN(CCCCO)CC2)cc1 ZINC000835027190 649868865 /nfs/dbraw/zinc/86/88/65/649868865.db2.gz DAVAYAIYSAQOES-WAYWQWQTSA-N 0 3 317.477 2.156 20 10 DECDHN CC(C)(C)CCN1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000236606820 518646093 /nfs/dbraw/zinc/64/60/93/518646093.db2.gz BVLBCQVEKYRCMB-UHFFFAOYSA-N 0 3 303.450 2.392 20 10 DECDHN COc1ccc([O-])c([C@H](C)[NH2+]CC2CCN(C(C)=O)CC2)c1 ZINC000182390627 524768128 /nfs/dbraw/zinc/76/81/28/524768128.db2.gz JRYIGDGTSLGGDK-LBPRGKRZSA-N 0 3 306.406 2.310 20 10 DECDHN C[C@@H]1CN(CC(C)(C)O)CCN1Cc1ccc(N(C)C)cc1 ZINC000188747650 524935065 /nfs/dbraw/zinc/93/50/65/524935065.db2.gz LGTQZYTZAIWYGV-OAHLLOKOSA-N 0 3 305.466 2.030 20 10 DECDHN C[C@@H](NCC1(C)OCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000179576520 525420195 /nfs/dbraw/zinc/42/01/95/525420195.db2.gz GCZWPEANTXUDGE-CYBMUJFWSA-N 0 3 324.396 2.076 20 10 DECDHN C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccccc1[O-] ZINC000179902914 525642379 /nfs/dbraw/zinc/64/23/79/525642379.db2.gz SPWJOCOBSIPEDO-MWLCHTKSSA-N 0 3 302.296 2.206 20 10 DECDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@H](CO)C2)c1[O-] ZINC000179954035 526158590 /nfs/dbraw/zinc/15/85/90/526158590.db2.gz UWHXMTVYIYHLTC-SNVBAGLBSA-N 0 3 300.196 2.277 20 10 DECDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](CO)C2)c1[O-] ZINC000179954035 526158580 /nfs/dbraw/zinc/15/85/80/526158580.db2.gz UWHXMTVYIYHLTC-SNVBAGLBSA-N 0 3 300.196 2.277 20 10 DECDHN Fc1cc(CNCC2=CCCOC2)ccc1N1CCOCC1 ZINC000126593936 526296868 /nfs/dbraw/zinc/29/68/68/526296868.db2.gz BYEKAGKDYBTXNI-UHFFFAOYSA-N 0 3 306.381 2.099 20 10 DECDHN O=C(CC1(N2CCOCC2)CCCC1)NCc1ccccc1O ZINC000265391855 526329081 /nfs/dbraw/zinc/32/90/81/526329081.db2.gz CZNIDOXWEYEMEP-UHFFFAOYSA-N 0 3 318.417 2.044 20 10 DECDHN CC(C)[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])N1CCN(C)CC1 ZINC000194261199 529014373 /nfs/dbraw/zinc/01/43/73/529014373.db2.gz RJXIRIPSISKMOA-RDJZCZTQSA-N 0 3 305.466 2.315 20 10 DECDHN CC(C)[C@H](C[NH2+][C@H](C)c1ccccc1[O-])N1CCN(C)CC1 ZINC000194261234 529016164 /nfs/dbraw/zinc/01/61/64/529016164.db2.gz RJXIRIPSISKMOA-WBVHZDCISA-N 0 3 305.466 2.315 20 10 DECDHN CN(C)c1ccc(/C=C/CN2CCC3(CNC(=O)O3)CC2)cc1 ZINC000835045333 649870687 /nfs/dbraw/zinc/87/06/87/649870687.db2.gz KPXBWSAUUTVCOO-ONEGZZNKSA-N 0 3 315.417 2.340 20 10 DECDHN COC[C@@](C)(CC(=O)OC)NC/C=C/c1ccc(N(C)C)cc1 ZINC000835048638 649871602 /nfs/dbraw/zinc/87/16/02/649871602.db2.gz WVWGSJJXOGAHLZ-IPLHWJFFSA-N 0 3 320.433 2.324 20 10 DECDHN CCOc1ccc(C[NH2+][C@H]2C[C@H]3CCCCN3C2=O)c([O-])c1 ZINC000835075040 649875725 /nfs/dbraw/zinc/87/57/25/649875725.db2.gz UUOSQJDWCCEJJV-HIFRSBDPSA-N 0 3 304.390 2.034 20 10 DECDHN CCS(=O)(=O)CCC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000840889576 625435447 /nfs/dbraw/zinc/43/54/47/625435447.db2.gz RWKIDNKWFDZPKK-CMPLNLGQSA-N 0 3 315.410 2.494 20 10 DECDHN F[C@H]1CC2(CC[C@H]1NCc1ccc3c(c1)CCO3)OCCO2 ZINC000892794837 625613796 /nfs/dbraw/zinc/61/37/96/625613796.db2.gz XGSMVJIEPSSVQP-LSDHHAIUSA-N 0 3 307.365 2.345 20 10 DECDHN COC[C@@H](C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891253041 623798418 /nfs/dbraw/zinc/79/84/18/623798418.db2.gz PLNCQWUDGJJXNC-YOEHRIQHSA-N 0 3 321.465 2.144 20 10 DECDHN CCN(CC)c1ccc(CNCC(C)(C)S(C)(=O)=O)cc1 ZINC000093520316 624173521 /nfs/dbraw/zinc/17/35/21/624173521.db2.gz PCOKKVXPENUZKZ-UHFFFAOYSA-N 0 3 312.479 2.446 20 10 DECDHN CC(C)CNC(=[NH2+])NCc1cc(Br)ccc1[O-] ZINC000849027848 625033922 /nfs/dbraw/zinc/03/39/22/625033922.db2.gz KYPQRDRXDKUEFH-UHFFFAOYSA-N 0 3 300.200 2.425 20 10 DECDHN CN(C)c1ccc(CNC(=O)N(C)[C@@H]2CCCN(C)C2)cc1F ZINC000892485761 625873637 /nfs/dbraw/zinc/87/36/37/625873637.db2.gz NISWRHNMCCMTMO-CQSZACIVSA-N 0 3 322.428 2.127 20 10 DECDHN COc1cccc([O-])c1C[NH2+]CCNC(=O)c1ccc(F)cc1 ZINC000725846612 632936020 /nfs/dbraw/zinc/93/60/20/632936020.db2.gz NHLAGFGTOJVCBR-UHFFFAOYSA-N 0 3 318.348 2.060 20 10 DECDHN CCCN1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009671906 633809853 /nfs/dbraw/zinc/80/98/53/633809853.db2.gz LADZZPAYFIBXII-CQSZACIVSA-N 0 3 317.393 2.453 20 10 DECDHN COc1ccc(CN[C@@H](CO)c2ccsc2)c(O)c1OC ZINC000893654910 635708549 /nfs/dbraw/zinc/70/85/49/635708549.db2.gz LKGUXEVYQRHKLY-LBPRGKRZSA-N 0 3 309.387 2.294 20 10 DECDHN CN(C)c1ccc(CN(C)C(=O)[C@H](N)Cc2ccccc2)cc1 ZINC000319208414 635910599 /nfs/dbraw/zinc/91/05/99/635910599.db2.gz GDFBTYAYJSFPOZ-GOSISDBHSA-N 0 3 311.429 2.281 20 10 DECDHN O=C1C[C@H](NCc2ccc3c(c2)CCCO3)CN1CC1CC1 ZINC000922338641 636106063 /nfs/dbraw/zinc/10/60/63/636106063.db2.gz LTUFLGJOXOFXEO-INIZCTEOSA-N 0 3 300.402 2.112 20 10 DECDHN COc1ccc(N2CC[C@@H](CNc3nc(C)cc(N)n3)C2)cc1 ZINC000894268798 636626860 /nfs/dbraw/zinc/62/68/60/636626860.db2.gz MYTVLGWOORBWGP-ZDUSSCGKSA-N 0 3 313.405 2.314 20 10 DECDHN COC(=O)c1c(CNC[C@@H](C)OC)c2cc(F)ccc2n1C ZINC000894533088 637093290 /nfs/dbraw/zinc/09/32/90/637093290.db2.gz OWJMUFRTVRAQDU-SNVBAGLBSA-N 0 3 308.353 2.229 20 10 DECDHN CC[C@@H]1C[C@H]1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000894589117 637118458 /nfs/dbraw/zinc/11/84/58/637118458.db2.gz YEZNICTWYISLTM-XYPHTWIQSA-N 0 3 318.465 2.453 20 10 DECDHN CC[C@H]([NH2+]Cc1cc(Br)cc(OC)c1[O-])[C@H](C)O ZINC000824921779 637281456 /nfs/dbraw/zinc/28/14/56/637281456.db2.gz QWIINHIWYZFQAG-KWQFWETISA-N 0 3 318.211 2.412 20 10 DECDHN Cc1ccc(CN2CCc3nc[nH]c3C23CCOCC3)c(O)c1 ZINC000895070368 637484813 /nfs/dbraw/zinc/48/48/13/637484813.db2.gz PYJSGWJPACCRPL-UHFFFAOYSA-N 0 3 313.401 2.488 20 10 DECDHN c1cc(N2CCOCC2)ccc1CN1CC2(C1)CCCOC2 ZINC000839138046 637802569 /nfs/dbraw/zinc/80/25/69/637802569.db2.gz HTLKQGBKHWRMQA-UHFFFAOYSA-N 0 3 302.418 2.136 20 10 DECDHN Cc1cc([O-])c(C[NH2+]C[C@H](C)N2CCN(C)CC2)c(Cl)c1 ZINC000840890498 650372162 /nfs/dbraw/zinc/37/21/62/650372162.db2.gz NVOBXWLNMYSGGP-ZDUSSCGKSA-N 0 3 311.857 2.080 20 10 DECDHN C[C@]1(CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCC[NH2+]C1 ZINC000841057939 650416935 /nfs/dbraw/zinc/41/69/35/650416935.db2.gz SPELZBYQNRBKLQ-AWEZNQCLSA-N 0 3 313.785 2.433 20 10 DECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H]([C@@]2(C)COC(=O)N2)C1 ZINC000896395974 638501954 /nfs/dbraw/zinc/50/19/54/638501954.db2.gz WVLHXVWLCHZDKV-CXAGYDPISA-N 0 3 304.390 2.411 20 10 DECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H]([C@@]2(C)COC(=O)N2)C1 ZINC000896395974 638501957 /nfs/dbraw/zinc/50/19/57/638501957.db2.gz WVLHXVWLCHZDKV-CXAGYDPISA-N 0 3 304.390 2.411 20 10 DECDHN [O-]c1ccc(F)cc1C[N@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000897176262 639225811 /nfs/dbraw/zinc/22/58/11/639225811.db2.gz RCQZGQWZRPPNRE-OAHLLOKOSA-N 0 3 309.381 2.285 20 10 DECDHN [O-]c1ccc(F)cc1C[N@@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000897176262 639225812 /nfs/dbraw/zinc/22/58/12/639225812.db2.gz RCQZGQWZRPPNRE-OAHLLOKOSA-N 0 3 309.381 2.285 20 10 DECDHN CCC1(CC)CNC(=O)[C@H]1NCc1ccc(N(C)C)c(F)c1 ZINC000897345721 639524575 /nfs/dbraw/zinc/52/45/75/639524575.db2.gz NKWYMNPCLIDRSH-OAHLLOKOSA-N 0 3 307.413 2.286 20 10 DECDHN C[C@@H]([NH2+]Cc1ccc(-n2cncn2)nc1)c1cc(F)ccc1[O-] ZINC000756432801 639661992 /nfs/dbraw/zinc/66/19/92/639661992.db2.gz UIYLHXODWUKLFS-LLVKDONJSA-N 0 3 313.336 2.358 20 10 DECDHN COCCN1CC[C@H]([NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)C1 ZINC000756552150 639672904 /nfs/dbraw/zinc/67/29/04/639672904.db2.gz LTUXXXQZUCCJOE-MBNYWOFBSA-N 0 3 308.397 2.390 20 10 DECDHN COc1cc(Br)cc(C[N@H+](C)C2CC(O)C2)c1[O-] ZINC000761222531 640287868 /nfs/dbraw/zinc/28/78/68/640287868.db2.gz KJZWCVIXKZDSJD-UHFFFAOYSA-N 0 3 316.195 2.118 20 10 DECDHN COc1cc(Br)cc(C[N@@H+](C)C2CC(O)C2)c1[O-] ZINC000761222531 640287873 /nfs/dbraw/zinc/28/78/73/640287873.db2.gz KJZWCVIXKZDSJD-UHFFFAOYSA-N 0 3 316.195 2.118 20 10 DECDHN C[C@H](C[NH2+][C@H](C)c1ccc(Cl)cc1[O-])N1CCN(C)CC1 ZINC000841746657 640492893 /nfs/dbraw/zinc/49/28/93/640492893.db2.gz JVNCUTNDKVIFQM-CHWSQXEVSA-N 0 3 311.857 2.332 20 10 DECDHN C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])N1CCN(C)CC1 ZINC000841746660 640493036 /nfs/dbraw/zinc/49/30/36/640493036.db2.gz JVNCUTNDKVIFQM-STQMWFEESA-N 0 3 311.857 2.332 20 10 DECDHN CN(C)CCN(C(=O)NCCc1ccc(N)cc1)C1CCCC1 ZINC000841960524 650613452 /nfs/dbraw/zinc/61/34/52/650613452.db2.gz RSKMUPDCMOXGSD-UHFFFAOYSA-N 0 3 318.465 2.327 20 10 DECDHN CCOCc1cc(CN[C@@H]2COCC[C@H]2OC)ccc1OC ZINC000897891335 640965476 /nfs/dbraw/zinc/96/54/76/640965476.db2.gz BHIQTYXDKRQQEL-NVXWUHKLSA-N 0 3 309.406 2.125 20 10 DECDHN CCCC(=O)NC1CC[NH+](Cc2c([O-])cccc2OC)CC1 ZINC000768883483 641139639 /nfs/dbraw/zinc/13/96/39/641139639.db2.gz XJXYMFJWUIENBU-UHFFFAOYSA-N 0 3 306.406 2.282 20 10 DECDHN CCOC(=O)C1(C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000770665100 641404541 /nfs/dbraw/zinc/40/45/41/641404541.db2.gz CRGUCZVXBWWJPP-UHFFFAOYSA-N 0 3 313.781 2.487 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCC[C@H](CNC(C)=O)C2)c([O-])c1 ZINC000771938241 641575126 /nfs/dbraw/zinc/57/51/26/641575126.db2.gz HYNAPZRUMQGRIJ-CQSZACIVSA-N 0 3 306.406 2.139 20 10 DECDHN CCOc1ccc(C[N@H+]2CCC[C@H](CNC(C)=O)C2)c([O-])c1 ZINC000771938241 641575129 /nfs/dbraw/zinc/57/51/29/641575129.db2.gz HYNAPZRUMQGRIJ-CQSZACIVSA-N 0 3 306.406 2.139 20 10 DECDHN CCOCCCNC(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774484711 641909032 /nfs/dbraw/zinc/90/90/32/641909032.db2.gz PUKFOTWULMGVIO-GJZGRUSLSA-N 0 3 321.465 2.335 20 10 DECDHN CCON(CC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899097499 641930879 /nfs/dbraw/zinc/93/08/79/641930879.db2.gz BJDQWZPHJYBIIH-INIZCTEOSA-N 0 3 322.453 2.338 20 10 DECDHN C[C@@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)[C@@H]1C ZINC000899104902 641936685 /nfs/dbraw/zinc/93/66/85/641936685.db2.gz SRZOQQFUZAXSID-CKEIUWERSA-N 0 3 318.465 2.405 20 10 DECDHN C[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000899098690 641940315 /nfs/dbraw/zinc/94/03/15/641940315.db2.gz RDISQGAMXJTZQY-DYVFJYSZSA-N 0 3 318.465 2.453 20 10 DECDHN C[C@H](NCC(=O)NCc1cccnc1)c1ccc(N(C)C)cc1 ZINC000775833455 642103283 /nfs/dbraw/zinc/10/32/83/642103283.db2.gz JJJHNJMSVUPKGV-AWEZNQCLSA-N 0 3 312.417 2.115 20 10 DECDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1[O-] ZINC000776221908 642145221 /nfs/dbraw/zinc/14/52/21/642145221.db2.gz XEPKJNAAFBNFDI-FZQKWOKYSA-N 0 3 308.809 2.453 20 10 DECDHN CCN(CC)c1ccc(CN(C)C(=O)Cc2c[nH]cn2)cc1 ZINC000900025790 642242640 /nfs/dbraw/zinc/24/26/40/642242640.db2.gz HMOUVIXUYKTATQ-UHFFFAOYSA-N 0 3 300.406 2.457 20 10 DECDHN CCOc1ccc(O)c(CN[C@H]2CCN(C(C)(C)C)C2=O)c1 ZINC000842720042 650810527 /nfs/dbraw/zinc/81/05/27/650810527.db2.gz AQDHSQLETZODPF-AWEZNQCLSA-N 0 3 306.406 2.280 20 10 DECDHN [O-]c1cc2c(cc1C[NH+]1CCC([C@@H]3CCCO3)CC1)[C@@H](O)CO2 ZINC000783969118 643072992 /nfs/dbraw/zinc/07/29/92/643072992.db2.gz SZOVDDWHMOBTKE-IRXDYDNUSA-N 0 3 319.401 2.209 20 10 DECDHN Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H](C)c1cn(C)nn1 ZINC000903024066 643229284 /nfs/dbraw/zinc/22/92/84/643229284.db2.gz KDWGEOPZLRDRIY-UONOGXRCSA-N 0 3 301.438 2.471 20 10 DECDHN C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1nccn1C ZINC000903448608 643354901 /nfs/dbraw/zinc/35/49/01/643354901.db2.gz QRYZUOAXLKNNHC-RHSMWYFYSA-N 0 3 315.465 2.440 20 10 DECDHN COc1cc(CN2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c(O)cc1C ZINC000790385883 643845993 /nfs/dbraw/zinc/84/59/93/643845993.db2.gz FHAXYKHYOKQUGA-IYOUNJFTSA-N 0 3 321.417 2.478 20 10 DECDHN CCOc1ccc(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c([O-])c1 ZINC000790618920 643873950 /nfs/dbraw/zinc/87/39/50/643873950.db2.gz LDINLIMRNIEBGK-CZUORRHYSA-N 0 3 311.422 2.039 20 10 DECDHN CC[C@H]1CN(Cc2cc(C)cc(OC)c2O)C[C@@]2(CCOC2)O1 ZINC000794694283 644461424 /nfs/dbraw/zinc/46/14/24/644461424.db2.gz MNUZPACNOBWNAB-MAUKXSAKSA-N 0 3 321.417 2.479 20 10 DECDHN C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000912808007 646172294 /nfs/dbraw/zinc/17/22/94/646172294.db2.gz SDGFRYTZQBYUDT-OCCSQVGLSA-N 0 3 306.406 2.290 20 10 DECDHN COC(=O)c1cc(CNCc2ccc(N(C)C)c(F)c2)cn1C ZINC000809611065 646247119 /nfs/dbraw/zinc/24/71/19/646247119.db2.gz PRMSFWRWWAKBHL-UHFFFAOYSA-N 0 3 319.380 2.307 20 10 DECDHN C[C@H](CO)N(C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000809746500 646275254 /nfs/dbraw/zinc/27/52/54/646275254.db2.gz VXJJVNKAJJLAKY-CYBMUJFWSA-N 0 3 307.394 2.398 20 10 DECDHN O=C1C[C@H]([NH2+]Cc2ccccc2[O-])CN1c1ccccc1F ZINC000812782687 646694417 /nfs/dbraw/zinc/69/44/17/646694417.db2.gz DJEOYDUIEGQZAF-ZDUSSCGKSA-N 0 3 300.333 2.426 20 10 DECDHN CCCN(C)CC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000730283259 646889679 /nfs/dbraw/zinc/88/96/79/646889679.db2.gz HZFNOENVKXVUGF-UHFFFAOYSA-N 0 3 319.449 2.122 20 10 DECDHN C[C@@H]1[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CCN1C ZINC000914180838 647207114 /nfs/dbraw/zinc/20/71/14/647207114.db2.gz XWLNGXIKJAKKJF-RHSMWYFYSA-N 0 3 316.449 2.179 20 10 DECDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCC(=O)N(C)C2=O)c1[O-] ZINC000818361672 647458084 /nfs/dbraw/zinc/45/80/84/647458084.db2.gz MNEGLNLFRBZGAJ-CABZTGNLSA-N 0 3 310.781 2.152 20 10 DECDHN C[C@@H]1[C@H](NC(=O)NCCCSc2nccs2)CCN1C ZINC000921447741 648318720 /nfs/dbraw/zinc/31/87/20/648318720.db2.gz RJGRRIFVPZRPQW-GHMZBOCLSA-N 0 3 314.480 2.017 20 10 DECDHN [O-]c1cc2c(cc1C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1)OCO2 ZINC000824845133 648661107 /nfs/dbraw/zinc/66/11/07/648661107.db2.gz IFAOYOZOCUUERU-CXAGYDPISA-N 0 3 305.374 2.008 20 10 DECDHN COc1cc(Br)cc(C[NH2+]C[C@H](C)N(C)C)c1[O-] ZINC000824988656 648681284 /nfs/dbraw/zinc/68/12/84/648681284.db2.gz QLEVVYFFBQSXPR-VIFPVBQESA-N 0 3 317.227 2.203 20 10 DECDHN CNC(=O)C[C@H](C)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000825068466 648696809 /nfs/dbraw/zinc/69/68/09/648696809.db2.gz PZJTXQJJEOHFPK-VIFPVBQESA-N 0 3 315.211 2.077 20 10 DECDHN [O-]c1ccc(-c2ccccc2)cc1C[NH+]1CCC(O)(CO)CC1 ZINC000827147429 648981788 /nfs/dbraw/zinc/98/17/88/648981788.db2.gz RILAYVKILAGVJA-UHFFFAOYSA-N 0 3 313.397 2.378 20 10 DECDHN CS(=O)(=O)C1(C[NH2+]Cc2cc(F)ccc2[O-])CCCCC1 ZINC000827229580 648997146 /nfs/dbraw/zinc/99/71/46/648997146.db2.gz IFWVTMFRGDZRNN-UHFFFAOYSA-N 0 3 315.410 2.368 20 10 DECDHN COC(=O)N(C)CC[N@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000827340931 649018889 /nfs/dbraw/zinc/01/88/89/649018889.db2.gz VTMYDPISRAMYIU-UHFFFAOYSA-N 0 3 300.786 2.484 20 10 DECDHN COC(=O)N(C)CC[N@@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000827340931 649018893 /nfs/dbraw/zinc/01/88/93/649018893.db2.gz VTMYDPISRAMYIU-UHFFFAOYSA-N 0 3 300.786 2.484 20 10 DECDHN COC(=O)N(C)CCN(C)Cc1cc(Cl)cc(C)c1O ZINC000827340931 649018897 /nfs/dbraw/zinc/01/88/97/649018897.db2.gz VTMYDPISRAMYIU-UHFFFAOYSA-N 0 3 300.786 2.484 20 10 DECDHN C[C@H](C1CC1)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000071950748 649244522 /nfs/dbraw/zinc/24/45/22/649244522.db2.gz SNTUCYNJXCOTHM-CQSZACIVSA-N 0 3 303.450 2.441 20 10 DECDHN Cc1cc(C(=O)N2CCNCC2(C)C)c(C)n1-c1ccccn1 ZINC000844166120 651085557 /nfs/dbraw/zinc/08/55/57/651085557.db2.gz OLRKHUIXLWATOA-UHFFFAOYSA-N 0 3 312.417 2.313 20 10 DECDHN COc1ccc(O)c([C@@H](C)NCc2cnc(N(C)C)n2C)c1 ZINC000845972265 651298691 /nfs/dbraw/zinc/29/86/91/651298691.db2.gz QDDZLHBPMSUPEG-LLVKDONJSA-N 0 3 304.394 2.051 20 10 DECDHN CCOc1ccc(C[N@H+]2C[C@@H](C(=O)OC)[C@H](C3CC3)C2)c([O-])c1 ZINC000846122964 651309450 /nfs/dbraw/zinc/30/94/50/651309450.db2.gz MGLLSXPBOKGWEM-JKSUJKDBSA-N 0 3 319.401 2.422 20 10 DECDHN CCOc1ccc(C[N@@H+]2C[C@@H](C(=O)OC)[C@H](C3CC3)C2)c([O-])c1 ZINC000846122964 651309452 /nfs/dbraw/zinc/30/94/52/651309452.db2.gz MGLLSXPBOKGWEM-JKSUJKDBSA-N 0 3 319.401 2.422 20 10 DECDHN C[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848556902 651470204 /nfs/dbraw/zinc/47/02/04/651470204.db2.gz DBMRNURJUGAWDL-AYDFFVQHSA-N 0 3 304.434 2.467 20 10 DECDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c(nnn3C)C2)c2c1c(F)ccc2[O-] ZINC000848562271 651470897 /nfs/dbraw/zinc/47/08/97/651470897.db2.gz BXNWRVAOIRYLGG-BREBYQMCSA-N 0 3 316.380 2.355 20 10 DECDHN COc1ccc(N2CC[C@H](NCc3cnc(Cl)n3C)C2)cc1 ZINC000850347373 651905876 /nfs/dbraw/zinc/90/58/76/651905876.db2.gz RHKVSANOXOHTEM-LBPRGKRZSA-N 0 3 320.824 2.451 20 10 DECDHN Nc1ccc(CC(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc1 ZINC000851646582 652197887 /nfs/dbraw/zinc/19/78/87/652197887.db2.gz YDOPHWKPKAUFBR-QGZVFWFLSA-N 0 3 311.385 2.111 20 10 DECDHN CCO[C@@]1(C)C[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000858257469 652290740 /nfs/dbraw/zinc/29/07/40/652290740.db2.gz MGXRDWIGEMFARZ-SJORKVTESA-N 0 3 308.397 2.319 20 10 DECDHN CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000858580008 685560812 /nfs/dbraw/zinc/56/08/12/685560812.db2.gz JFKFBUAURTVNDU-UWVGGRQHSA-N 0 3 300.786 2.413 20 10 DECDHN COc1cccc(CN[C@@](C)(CO)c2cccc(O)c2)c1O ZINC000862433243 686302060 /nfs/dbraw/zinc/30/20/60/686302060.db2.gz UHSYFRHATAZNMS-KRWDZBQOSA-N 0 3 303.358 2.104 20 10 DECDHN COC(=O)c1ccc([O-])c([C@H](C)N[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000863541356 686518356 /nfs/dbraw/zinc/51/83/56/686518356.db2.gz HPOMYOHJHQIZCN-XHDPSFHLSA-N 0 3 304.390 2.114 20 10 DECDHN Cc1ccc(O)c(CNC[C@H](n2cncn2)C(F)(F)F)c1 ZINC000865682517 687300126 /nfs/dbraw/zinc/30/01/26/687300126.db2.gz NJQTWFNCKQGYQT-LBPRGKRZSA-N 0 3 300.284 2.185 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2ccon2)N(C)C)cc1 ZINC000930653186 694211089 /nfs/dbraw/zinc/21/10/89/694211089.db2.gz UKMGAPVTLHQCHV-CQSZACIVSA-N 0 3 317.393 2.165 20 10 DECDHN CC(C)CC[C@H](N)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000876740275 689922740 /nfs/dbraw/zinc/92/27/40/689922740.db2.gz KJUBVMPIAOIDID-INIZCTEOSA-N 0 3 303.450 2.449 20 10 DECDHN CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccc(C)cc1[O-])CC2 ZINC000876763276 689929736 /nfs/dbraw/zinc/92/97/36/689929736.db2.gz JROQLXBPGPVDMM-IRXDYDNUSA-N 0 3 305.418 2.453 20 10 DECDHN Cc1ccc(C[NH2+][C@H](CO)C[C@H](O)c2ccccc2)c([O-])c1 ZINC000877126172 690024273 /nfs/dbraw/zinc/02/42/73/690024273.db2.gz FWZWLMRYCORMAN-WMZOPIPTSA-N 0 3 301.386 2.275 20 10 DECDHN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(C)cc1[O-] ZINC000877423671 690108467 /nfs/dbraw/zinc/10/84/67/690108467.db2.gz IZGZPBMSUSBYII-GJZGRUSLSA-N 0 3 307.390 2.243 20 10 DECDHN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1ccc(C)cc1[O-] ZINC000877423671 690108470 /nfs/dbraw/zinc/10/84/70/690108470.db2.gz IZGZPBMSUSBYII-GJZGRUSLSA-N 0 3 307.390 2.243 20 10 DECDHN COC(=O)c1cc(C[NH2+]Cc2ccc(OC)cc2[O-])[nH]c1C ZINC000877493875 690130397 /nfs/dbraw/zinc/13/03/97/690130397.db2.gz PXZMXZHGXQZKPM-UHFFFAOYSA-N 0 3 304.346 2.114 20 10 DECDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCO[C@H](c2ccnn2C)C1 ZINC000877571016 690155009 /nfs/dbraw/zinc/15/50/09/690155009.db2.gz QHRDTSDQMWBQFA-GUYCJALGSA-N 0 3 301.390 2.444 20 10 DECDHN COc1ccc(N2CCN(CC[C@@H](O)C(C)C)CC2)cc1F ZINC000878181157 690338339 /nfs/dbraw/zinc/33/83/39/690338339.db2.gz MJUBIYBWBBEQNR-MRXNPFEDSA-N 0 3 310.413 2.363 20 10 DECDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2ncccc2C)c1 ZINC000878360420 690388155 /nfs/dbraw/zinc/38/81/55/690388155.db2.gz NMMAGOGKXQWMBL-LBPRGKRZSA-N 0 3 315.373 2.394 20 10 DECDHN Cc1cc(CN2CCC[C@@H]3CCNC(=O)[C@@H]32)ccc1N(C)C ZINC000880524029 690918103 /nfs/dbraw/zinc/91/81/03/690918103.db2.gz OIRQFFCHCOGQOF-NVXWUHKLSA-N 0 3 301.434 2.162 20 10 DECDHN CN(C)c1ccc(/C=C/CN[C@@H]2CC(=O)N(CC3CC3)C2)cc1 ZINC000883402835 691498454 /nfs/dbraw/zinc/49/84/54/691498454.db2.gz BPNPQYVDPQNCDX-REMYHPOOSA-N 0 3 313.445 2.366 20 10 DECDHN N[C@@H](CC1CC1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000884304890 691705108 /nfs/dbraw/zinc/70/51/08/691705108.db2.gz FKYALSVELLWCIU-CVEARBPZSA-N 0 3 318.417 2.027 20 10 DECDHN CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2c([O-])cccc2F)CC1 ZINC000886504236 692095541 /nfs/dbraw/zinc/09/55/41/692095541.db2.gz XQMFAXGVQITEDZ-KGLIPLIRSA-N 0 3 309.429 2.208 20 10 DECDHN Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H](C)c1cnn(C)n1 ZINC000926596587 693477172 /nfs/dbraw/zinc/47/71/72/693477172.db2.gz QCCLKAFBVGMGIO-UONOGXRCSA-N 0 3 301.438 2.471 20 10 DECDHN C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)c2c1c(F)ccc2[O-] ZINC000926947673 693533855 /nfs/dbraw/zinc/53/38/55/693533855.db2.gz KMXLQLBNRZZSAD-DAHVATMRSA-N 0 3 307.365 2.473 20 10 DECDHN Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)c([O-])c1 ZINC000927042046 693544806 /nfs/dbraw/zinc/54/48/06/693544806.db2.gz UNFWBEDUDLISSK-FUDCBSFHSA-N 0 3 309.431 2.459 20 10 DECDHN C[C@H](CCNCc1cc(F)c(N(C)C)cc1F)[S@@](C)=O ZINC001348090583 1151119149 /nfs/dbraw/zinc/11/91/49/1151119149.db2.gz ZOKKICZXPDZDEM-CFMSYZGJSA-N 0 3 304.406 2.278 20 10 DECDHN O=C(c1cccc(O)c1[O-])N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001148214164 791711057 /nfs/dbraw/zinc/71/10/57/791711057.db2.gz PATZUSHQSGMMMC-CYBMUJFWSA-N 0 3 304.390 2.188 20 10 DECDHN CCOCc1cc(CNC2COC(C)(C)OC2)ccc1OC ZINC000758047671 793033279 /nfs/dbraw/zinc/03/32/79/793033279.db2.gz YEZPSROABKDQKR-UHFFFAOYSA-N 0 3 309.406 2.473 20 10 DECDHN COc1ccc(CN2CC[C@@H](F)[C@@H]([NH3+])CC2)c([O-])c1Cl ZINC001206201587 793734444 /nfs/dbraw/zinc/73/44/44/793734444.db2.gz XXOHHHZBHMNSPE-MNOVXSKESA-N 0 3 302.777 2.315 20 10 DECDHN Cc1nccnc1O[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140060279 796471762 /nfs/dbraw/zinc/47/17/62/796471762.db2.gz SWVCRRHFUSNKQG-CQSZACIVSA-N 0 3 303.337 2.283 20 10 DECDHN Cc1nccnc1O[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140060279 796471767 /nfs/dbraw/zinc/47/17/67/796471767.db2.gz SWVCRRHFUSNKQG-CQSZACIVSA-N 0 3 303.337 2.283 20 10 DECDHN CCO[C@@H]1C[C@H]2CN(Cc3ccc(Cl)cc3[O-])CC[N@@H+]2C1 ZINC001140465265 796526238 /nfs/dbraw/zinc/52/62/38/796526238.db2.gz LYQRMESAFDZNGF-LSDHHAIUSA-N 0 3 310.825 2.341 20 10 DECDHN CCO[C@@H]1C[C@H]2CN(Cc3ccc(Cl)cc3[O-])CC[N@H+]2C1 ZINC001140465265 796526240 /nfs/dbraw/zinc/52/62/40/796526240.db2.gz LYQRMESAFDZNGF-LSDHHAIUSA-N 0 3 310.825 2.341 20 10 DECDHN Cc1ccc(O)c(CN2CCN(CCc3ccncc3)CC2)c1 ZINC001140621026 796547113 /nfs/dbraw/zinc/54/71/13/796547113.db2.gz MPEPXVDAXFMNDV-UHFFFAOYSA-N 0 3 311.429 2.456 20 10 DECDHN Fc1cc(N2CCOCC2)ccc1CN1CC[C@H]2OCC[C@H]2C1 ZINC001140664583 796553441 /nfs/dbraw/zinc/55/34/41/796553441.db2.gz MOJXDXGFXOEZBR-MAUKXSAKSA-N 0 3 320.408 2.273 20 10 DECDHN CCOC(=O)C1(F)CCN(Cc2ccc(O)c(C)c2O)CC1 ZINC001140745268 796566848 /nfs/dbraw/zinc/56/68/48/796566848.db2.gz CGTDFYUCMDRSHS-UHFFFAOYSA-N 0 3 311.353 2.273 20 10 DECDHN Cc1ccc(CN2CC3CC2(C(=O)N2CCCC2)C3)c(O)c1 ZINC001140949718 796605257 /nfs/dbraw/zinc/60/52/57/796605257.db2.gz HBKBPBPVODFHCR-UHFFFAOYSA-N 0 3 300.402 2.287 20 10 DECDHN Cc1ccc(C[NH+]2CCC(NC(=O)N3CCCC3)CC2)c([O-])c1 ZINC001140953761 796606787 /nfs/dbraw/zinc/60/67/87/796606787.db2.gz GJKCCOJRARTNAR-UHFFFAOYSA-N 0 3 317.433 2.470 20 10 DECDHN COC(=O)[C@@]1(C)CCC[N@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141028809 796620144 /nfs/dbraw/zinc/62/01/44/796620144.db2.gz ARKAJMYFMFWYMM-KRWDZBQOSA-N 0 3 323.389 2.185 20 10 DECDHN COC(=O)[C@@]1(C)CCC[N@@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141028809 796620146 /nfs/dbraw/zinc/62/01/46/796620146.db2.gz ARKAJMYFMFWYMM-KRWDZBQOSA-N 0 3 323.389 2.185 20 10 DECDHN COc1cc([O-])c(C[NH+]2CCC3(C[C@@H]3CCO)CC2)c(OC)c1 ZINC001141026387 796620621 /nfs/dbraw/zinc/62/06/21/796620621.db2.gz OONFDLBGNYZOTL-ZDUSSCGKSA-N 0 3 321.417 2.394 20 10 DECDHN CN1CCO[C@H]2CN(Cc3cccc(C(C)(C)C)c3O)C[C@H]21 ZINC001143104927 796802641 /nfs/dbraw/zinc/80/26/41/796802641.db2.gz HVINVHNRMLXDPE-CVEARBPZSA-N 0 3 304.434 2.205 20 10 DECDHN O=C(NC1CC[NH+](Cc2ccccc2[O-])CC1)N1CCCC1 ZINC001203560542 800080782 /nfs/dbraw/zinc/08/07/82/800080782.db2.gz BYVCDPBHUVHAQX-UHFFFAOYSA-N 0 3 303.406 2.162 20 10 DECDHN COc1ccc(C[NH+]2CCC3(CCCC(=O)N3)CC2)c([O-])c1 ZINC001203622726 800090941 /nfs/dbraw/zinc/09/09/41/800090941.db2.gz ATJCQVZZZGDMMG-UHFFFAOYSA-N 0 3 304.390 2.036 20 10 DECDHN COc1ccc(C[N@H+]2CCc3ccc(=O)[nH]c3CC2)c([O-])c1 ZINC001203628667 800093718 /nfs/dbraw/zinc/09/37/18/800093718.db2.gz GEYIFXVWASCCMC-UHFFFAOYSA-N 0 3 300.358 2.102 20 10 DECDHN COc1ccc(C[N@@H+]2CCc3ccc(=O)[nH]c3CC2)c([O-])c1 ZINC001203628667 800093722 /nfs/dbraw/zinc/09/37/22/800093722.db2.gz GEYIFXVWASCCMC-UHFFFAOYSA-N 0 3 300.358 2.102 20 10 DECDHN COc1ccc(O)c(CN2CCC[C@H](Oc3cnccn3)C2)c1 ZINC001203681359 800104738 /nfs/dbraw/zinc/10/47/38/800104738.db2.gz UXPMVIJBZGEULT-HNNXBMFYSA-N 0 3 315.373 2.234 20 10 DECDHN COc1ccc(O)c(CN2CCC[C@@H](NC(=O)C3CCC3)C2)c1 ZINC001203681092 800105178 /nfs/dbraw/zinc/10/51/78/800105178.db2.gz OVUCTEXKGXEJKH-OAHLLOKOSA-N 0 3 318.417 2.282 20 10 DECDHN CN(C)c1ccc(CN2CC[C@@H](Oc3ncc(F)cn3)C2)cc1 ZINC001203935327 800149247 /nfs/dbraw/zinc/14/92/47/800149247.db2.gz DTGLRZQSTAHCPL-MRXNPFEDSA-N 0 3 316.380 2.335 20 10 DECDHN CCN(CC)c1ccc(CN2CC[C@@H](O)[C@](C)(CO)C2)cc1 ZINC001203940783 800149280 /nfs/dbraw/zinc/14/92/80/800149280.db2.gz ZGQMJDYTIGMNDY-MSOLQXFVSA-N 0 3 306.450 2.098 20 10 DECDHN Cc1cnc(OC2CCN(Cc3ccc(O)cc3O)CC2)nc1 ZINC001204278088 800198876 /nfs/dbraw/zinc/19/88/76/800198876.db2.gz SOGLFQIFIMMCPT-UHFFFAOYSA-N 0 3 315.373 2.240 20 10 DECDHN COc1ccnc(O[C@@H]2CC[N@H+](Cc3ccc(O)cc3[O-])C2)c1 ZINC001204277840 800199219 /nfs/dbraw/zinc/19/92/19/800199219.db2.gz MBEFYUKZYKXVLC-OAHLLOKOSA-N 0 3 316.357 2.155 20 10 DECDHN COc1ccnc(O[C@@H]2CC[N@@H+](Cc3ccc(O)cc3[O-])C2)c1 ZINC001204277840 800199223 /nfs/dbraw/zinc/19/92/23/800199223.db2.gz MBEFYUKZYKXVLC-OAHLLOKOSA-N 0 3 316.357 2.155 20 10 DECDHN COc1cc(CN2CC[C@@]3(C2)CC(F)(F)CO3)c(O)cc1O ZINC001231637128 801700778 /nfs/dbraw/zinc/70/07/78/801700778.db2.gz FIYFBEYPWVJBMB-AWEZNQCLSA-N 0 3 315.316 2.107 20 10 DECDHN COc1cc(N(C)C)ccc1CN1CCC2(CCC(=O)O2)CC1 ZINC001231852833 801737436 /nfs/dbraw/zinc/73/74/36/801737436.db2.gz ASOPYKQETXUJNP-UHFFFAOYSA-N 0 3 318.417 2.433 20 10 DECDHN C[C@]1(CO)CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232194719 801813807 /nfs/dbraw/zinc/81/38/07/801813807.db2.gz LEIVNFZSAASEQR-KRWDZBQOSA-N 0 3 324.852 2.381 20 10 DECDHN COc1cc(Cl)cc(CN2CC[C@H](O)[C@@H](F)CC2)c1O ZINC001233287997 802064372 /nfs/dbraw/zinc/06/43/72/802064372.db2.gz QUYZTIBSXFDZGL-RYUDHWBXSA-N 0 3 303.761 2.349 20 10 DECDHN C[C@@H](N)C(=O)Nc1ccc(NC(=O)Nc2ccc(N)cc2)cc1 ZINC001219493788 802338162 /nfs/dbraw/zinc/33/81/62/802338162.db2.gz YGZZPPRVDYJPRM-SNVBAGLBSA-N 0 3 313.361 2.199 20 10 DECDHN C[C@@H]([NH2+]CC(C)(C)N1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000316016724 802495586 /nfs/dbraw/zinc/49/55/86/802495586.db2.gz CAIHHDQHRPDSIB-CYBMUJFWSA-N 0 3 309.429 2.208 20 10 DECDHN CN(C)C[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccc(F)cc1 ZINC001524411933 1069940931 /nfs/dbraw/zinc/94/09/31/1069940931.db2.gz CYTVLSPLVUUMCF-QGZVFWFLSA-N 0 3 315.392 2.370 20 10 DECDHN Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3cc(F)c(F)cc3[O-])C2)n1 ZINC001474432700 1060868394 /nfs/dbraw/zinc/86/83/94/1060868394.db2.gz KLKZBNGFFCNAJQ-SNVBAGLBSA-N 0 3 308.332 2.477 20 10 DECDHN Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3cc(F)c(F)cc3[O-])C2)n1 ZINC001474432700 1060868410 /nfs/dbraw/zinc/86/84/10/1060868410.db2.gz KLKZBNGFFCNAJQ-SNVBAGLBSA-N 0 3 308.332 2.477 20 10 DECDHN COc1cc(C)c(C[NH2+]C[C@H](CO)Cc2ccoc2)c([O-])c1 ZINC001474685797 1060917342 /nfs/dbraw/zinc/91/73/42/1060917342.db2.gz CBCSMXOLOCAZIS-CQSZACIVSA-N 0 3 305.374 2.243 20 10 DECDHN C[C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CN1C1CC1 ZINC001631593727 1078368006 /nfs/dbraw/zinc/36/80/06/1078368006.db2.gz RBQSJPVMEMZSTH-GXFFZTMASA-N 0 3 315.377 2.204 20 10 DECDHN COc1cc(C)c(C[NH2+]Cc2ccc(CC(N)=O)cc2)c([O-])c1 ZINC001560866938 1075147756 /nfs/dbraw/zinc/14/77/56/1075147756.db2.gz TVVDRFFZDYDFHF-UHFFFAOYSA-N 0 3 314.385 2.027 20 10 DECDHN COc1cc(C)c(C[NH2+]C[C@]2(OC(C)C)CCOC2)c([O-])c1 ZINC001561017522 1075149108 /nfs/dbraw/zinc/14/91/08/1075149108.db2.gz AJXHAMHFEYKVDT-QGZVFWFLSA-N 0 3 309.406 2.383 20 10 DECDHN [NH3+]CCc1ccc(CNC(=O)NCc2c([O-])cccc2F)cc1 ZINC001580314690 1075900630 /nfs/dbraw/zinc/90/06/30/1075900630.db2.gz WNZHANMKJUNOHC-UHFFFAOYSA-N 0 3 317.364 2.032 20 10 DECDHN Cc1cc(Cl)cc(C[N@H+](C[C@@H](O)CO)C(C)(C)C)c1[O-] ZINC001237680628 1080473300 /nfs/dbraw/zinc/47/33/00/1080473300.db2.gz DYXRGQYARSSWNP-CYBMUJFWSA-N 0 3 301.814 2.308 20 10 DECDHN Cc1cc(Cl)cc(C[N@@H+](C[C@@H](O)CO)C(C)(C)C)c1[O-] ZINC001237680628 1080473305 /nfs/dbraw/zinc/47/33/05/1080473305.db2.gz DYXRGQYARSSWNP-CYBMUJFWSA-N 0 3 301.814 2.308 20 10 DECDHN C[N@@H+]1CCC[C@]2(CCCN(C(=O)c3cccc(O)c3[O-])C2)C1 ZINC001269607694 1081306312 /nfs/dbraw/zinc/30/63/12/1081306312.db2.gz GSFQIOQKIYGFGZ-KRWDZBQOSA-N 0 3 304.390 2.046 20 10 DECDHN C[N@H+]1CCC[C@]2(CCCN(C(=O)c3cccc(O)c3[O-])C2)C1 ZINC001269607694 1081306315 /nfs/dbraw/zinc/30/63/15/1081306315.db2.gz GSFQIOQKIYGFGZ-KRWDZBQOSA-N 0 3 304.390 2.046 20 10 DECDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@@](C)(CO)[C@H](O)C2)c([O-])c1 ZINC001235674463 1084496445 /nfs/dbraw/zinc/49/64/45/1084496445.db2.gz GHOQLAYAAGZRTH-AEFFLSMTSA-N 0 3 307.434 2.255 20 10 DECDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@@](C)(CO)[C@H](O)C2)c([O-])c1 ZINC001235674463 1084496448 /nfs/dbraw/zinc/49/64/48/1084496448.db2.gz GHOQLAYAAGZRTH-AEFFLSMTSA-N 0 3 307.434 2.255 20 10 DECDHN [O-]c1cccc(Br)c1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000707129952 1086659942 /nfs/dbraw/zinc/65/99/42/1086659942.db2.gz WAFSKNYXNVPJMX-LLVKDONJSA-N 0 3 311.223 2.435 20 10 DECDHN [O-]c1cccc(Br)c1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000707129952 1086659947 /nfs/dbraw/zinc/65/99/47/1086659947.db2.gz WAFSKNYXNVPJMX-LLVKDONJSA-N 0 3 311.223 2.435 20 10 DECDHN CC(C)c1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c([O-])c1 ZINC001237053111 1138491064 /nfs/dbraw/zinc/49/10/64/1138491064.db2.gz GSMPYXBTBNQGQQ-QGZVFWFLSA-N 0 3 304.434 2.422 20 10 DECDHN CC(C)c1ccc(C[N@H+]2CC[C@@H](N3CCOCC3)C2)c([O-])c1 ZINC001237053111 1138491065 /nfs/dbraw/zinc/49/10/65/1138491065.db2.gz GSMPYXBTBNQGQQ-QGZVFWFLSA-N 0 3 304.434 2.422 20 10 DECDHN CC[C@H](C)N(C)Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237209073 1138532740 /nfs/dbraw/zinc/53/27/40/1138532740.db2.gz UJBZLRMWTPFQEC-AWEZNQCLSA-N 0 3 310.463 2.152 20 10 DECDHN COC(=O)Cc1ccc(CN(C)Cc2cccnc2C)c(O)c1 ZINC001249214222 1141859873 /nfs/dbraw/zinc/85/98/73/1141859873.db2.gz IHDCLOZJEUIERD-UHFFFAOYSA-N 0 3 314.385 2.443 20 10 DECDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c([O-])c1 ZINC001249207288 1141860068 /nfs/dbraw/zinc/86/00/68/1141860068.db2.gz ANJNSAOEXCKTIQ-GOSISDBHSA-N 0 3 319.401 2.110 20 10 DECDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)c([O-])c1 ZINC001249207288 1141860070 /nfs/dbraw/zinc/86/00/70/1141860070.db2.gz ANJNSAOEXCKTIQ-GOSISDBHSA-N 0 3 319.401 2.110 20 10 DECDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CCC[C@@H](C(N)=O)C3)ccc2O1 ZINC001249223991 1141862125 /nfs/dbraw/zinc/86/21/25/1141862125.db2.gz QFSWHUKJFQMOGF-CYBMUJFWSA-N 0 3 316.401 2.274 20 10 DECDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CCC[C@@H](C(N)=O)C3)ccc2O1 ZINC001249223991 1141862127 /nfs/dbraw/zinc/86/21/27/1141862127.db2.gz QFSWHUKJFQMOGF-CYBMUJFWSA-N 0 3 316.401 2.274 20 10 DECDHN COc1ccnc(-c2noc(C[C@@H]([NH3+])c3ccccc3[O-])n2)c1 ZINC001249338800 1141877003 /nfs/dbraw/zinc/87/70/03/1141877003.db2.gz CUKLNPDIWWCZSG-GFCCVEGCSA-N 0 3 312.329 2.088 20 10 DECDHN [NH3+][C@H](Cc1nc(-c2cc(F)ccn2)no1)c1ccccc1[O-] ZINC001249339387 1141877026 /nfs/dbraw/zinc/87/70/26/1141877026.db2.gz NPPYBZJUZKHVIK-LLVKDONJSA-N 0 3 300.293 2.219 20 10 DECDHN CCN(CC)c1ccc(CN[C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC001308303289 1147465834 /nfs/dbraw/zinc/46/58/34/1147465834.db2.gz HDESXNLSKVURII-OAHLLOKOSA-N 0 3 301.434 2.386 20 10 DECDHN CCOC(=O)N[C@@H]1CCCN(Cc2c(C)cc(OC)cc2O)C1 ZINC001308571188 1147480924 /nfs/dbraw/zinc/48/09/24/1147480924.db2.gz RZWOBIDKQXDKEI-CYBMUJFWSA-N 0 3 322.405 2.420 20 10 DECDHN COc1cc(C)c(C[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)c([O-])c1 ZINC001308871363 1147488848 /nfs/dbraw/zinc/48/88/48/1147488848.db2.gz CTYDJIIGYCPEOX-ZDUSSCGKSA-N 0 3 320.433 2.446 20 10 DECDHN COc1cc(C)c(C[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)c([O-])c1 ZINC001308875788 1147489075 /nfs/dbraw/zinc/48/90/75/1147489075.db2.gz HEMWFHSWKZCTJH-GOSISDBHSA-N 0 3 323.433 2.367 20 10 DECDHN C[C@H]1COCCCN1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001324746500 1147839397 /nfs/dbraw/zinc/83/93/97/1147839397.db2.gz MRIBIPSKYLLIEQ-HNNXBMFYSA-N 0 3 321.440 2.188 20 10 DECDHN COc1ccc(N2CCCN(CCn3cccn3)CC2)cc1 ZINC000066422920 354714826 /nfs/dbraw/zinc/71/48/26/354714826.db2.gz HFCXNTQGHPUXEH-UHFFFAOYSA-N 0 3 300.406 2.104 20 10 DECDHN COc1cccc(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1[O-] ZINC000093870390 355689021 /nfs/dbraw/zinc/68/90/21/355689021.db2.gz WGYJCHBFHALBMF-ZDUSSCGKSA-N 0 3 301.390 2.199 20 10 DECDHN COc1cccc(C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1[O-] ZINC000093870390 355689023 /nfs/dbraw/zinc/68/90/23/355689023.db2.gz WGYJCHBFHALBMF-ZDUSSCGKSA-N 0 3 301.390 2.199 20 10 DECDHN COc1cccc(CN2CCC([C@@H](O)c3ncc[nH]3)CC2)c1O ZINC000373340204 533476892 /nfs/dbraw/zinc/47/68/92/533476892.db2.gz IXUASJTYDSNBCA-MRXNPFEDSA-N 0 3 317.389 2.070 20 10 DECDHN CN(C)c1ccc(CN[C@H]2CCCO[C@@H]2c2nccn2C)cc1 ZINC000275399851 130315524 /nfs/dbraw/zinc/31/55/24/130315524.db2.gz CKQKVNMLNVUBFR-IRXDYDNUSA-N 0 3 314.433 2.496 20 10 DECDHN CN(Cc1ccc2c(c1)OCO2)Cc1cc2c(cc1O)OCO2 ZINC000298889239 132081627 /nfs/dbraw/zinc/08/16/27/132081627.db2.gz PBWDNBYDKMZCLN-UHFFFAOYSA-N 0 3 315.325 2.482 20 10 DECDHN C[C@H](NC[C@@H]1CCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000020551026 401824694 /nfs/dbraw/zinc/82/46/94/401824694.db2.gz KDBVEZHTCSOXNT-ZFWWWQNUSA-N 0 3 308.397 2.492 20 10 DECDHN CCOc1cccc(C[N@@H+]2CC[C@@H](COCCOC)C2)c1[O-] ZINC000093754735 402019753 /nfs/dbraw/zinc/01/97/53/402019753.db2.gz HBMRDSDIMCUYGP-CQSZACIVSA-N 0 3 309.406 2.276 20 10 DECDHN CCOc1cccc(C[N@H+]2CC[C@@H](COCCOC)C2)c1[O-] ZINC000093754735 402019756 /nfs/dbraw/zinc/01/97/56/402019756.db2.gz HBMRDSDIMCUYGP-CQSZACIVSA-N 0 3 309.406 2.276 20 10 DECDHN CCOc1cccc(CN2CCC(N(C)C(C)=O)CC2)c1O ZINC000092538400 402006069 /nfs/dbraw/zinc/00/60/69/402006069.db2.gz GWDLEQOKQNRVAJ-UHFFFAOYSA-N 0 3 306.406 2.234 20 10 DECDHN O=S1(=O)CC[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000071792501 402277495 /nfs/dbraw/zinc/27/74/95/402277495.db2.gz MJPHOAXKZKUHBG-INIZCTEOSA-N 0 3 317.410 2.336 20 10 DECDHN [O-]c1ccc(Br)cc1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000219789558 402299774 /nfs/dbraw/zinc/29/97/74/402299774.db2.gz SMYHRGBWXNAYHR-GXFFZTMASA-N 0 3 311.223 2.339 20 10 DECDHN COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(C)ccc1[O-])CC2 ZINC000186102666 402401572 /nfs/dbraw/zinc/40/15/72/402401572.db2.gz BTMBHQWRPLYINW-QWHCGFSZSA-N 0 3 316.405 2.104 20 10 DECDHN C[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cc(F)ccc1[O-] ZINC000186375853 402426367 /nfs/dbraw/zinc/42/63/67/402426367.db2.gz VPJHRKJFBJYHQK-AAEUAGOBSA-N 0 3 311.353 2.104 20 10 DECDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c1 ZINC000179343866 402586270 /nfs/dbraw/zinc/58/62/70/402586270.db2.gz BOQOSHFDKDLMBS-HNNXBMFYSA-N 0 3 302.418 2.439 20 10 DECDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c1 ZINC000179343866 402586272 /nfs/dbraw/zinc/58/62/72/402586272.db2.gz BOQOSHFDKDLMBS-HNNXBMFYSA-N 0 3 302.418 2.439 20 10 DECDHN C[C@H](NCC1(C)OCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000179576510 402595131 /nfs/dbraw/zinc/59/51/31/402595131.db2.gz GCZWPEANTXUDGE-ZDUSSCGKSA-N 0 3 324.396 2.076 20 10 DECDHN CN(CCNC(=O)NCc1ccccc1O)Cc1ccccc1 ZINC000263667246 402788634 /nfs/dbraw/zinc/78/86/34/402788634.db2.gz BIMOJQSKDXHOCK-UHFFFAOYSA-N 0 3 313.401 2.323 20 10 DECDHN CN1CCCc2cc(CNC(=O)[C@H]3CCCN3C3CC3)ccc21 ZINC000278780620 402870565 /nfs/dbraw/zinc/87/05/65/402870565.db2.gz VDBFQJYTDGVJGM-GOSISDBHSA-N 0 3 313.445 2.312 20 10 DECDHN CCC[N@@H+]1CC[C@@H](CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000278944631 402889029 /nfs/dbraw/zinc/88/90/29/402889029.db2.gz YKCWIOREDDNBSC-LBPRGKRZSA-N 0 3 323.393 2.131 20 10 DECDHN CCC[N@H+]1CC[C@@H](CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000278944631 402889030 /nfs/dbraw/zinc/88/90/30/402889030.db2.gz YKCWIOREDDNBSC-LBPRGKRZSA-N 0 3 323.393 2.131 20 10 DECDHN CCCN1CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000278944631 402889031 /nfs/dbraw/zinc/88/90/31/402889031.db2.gz YKCWIOREDDNBSC-LBPRGKRZSA-N 0 3 323.393 2.131 20 10 DECDHN CC[C@@H]([NH2+][C@H](C)CN1CCN(C)CC1)c1ccc(C)cc1[O-] ZINC000280149166 402969041 /nfs/dbraw/zinc/96/90/41/402969041.db2.gz QBVZYIXJZNEXEV-NVXWUHKLSA-N 0 3 305.466 2.377 20 10 DECDHN C[C@H]1CN(Cc2c([O-])cccc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000276053845 403142442 /nfs/dbraw/zinc/14/24/42/403142442.db2.gz URQBQLTXBAAFQP-LBPRGKRZSA-N 0 3 312.841 2.323 20 10 DECDHN C[C@H]1CN(Cc2c([O-])cccc2Cl)CC[N@H+]1CC(C)(C)O ZINC000276053845 403142444 /nfs/dbraw/zinc/14/24/44/403142444.db2.gz URQBQLTXBAAFQP-LBPRGKRZSA-N 0 3 312.841 2.323 20 10 DECDHN CC[C@H]([NH2+]CC1(OCCO)CCOCC1)c1ccc(C)cc1[O-] ZINC000282473072 403155149 /nfs/dbraw/zinc/15/51/49/403155149.db2.gz GQCABHMOXJEHNC-INIZCTEOSA-N 0 3 323.433 2.299 20 10 DECDHN CCOc1cccc(C[NH+]2CCC(CCC(N)=O)CC2)c1[O-] ZINC000271199264 403277346 /nfs/dbraw/zinc/27/73/46/403277346.db2.gz PGOHDSKXPXWYFS-UHFFFAOYSA-N 0 3 306.406 2.268 20 10 DECDHN CC[C@@H]([NH2+][C@H](C)CN1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000285977128 403423310 /nfs/dbraw/zinc/42/33/10/403423310.db2.gz HMARHLMJRZXVTI-CZUORRHYSA-N 0 3 309.429 2.208 20 10 DECDHN Cc1ccc([O-])c(C[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)c1 ZINC000295054389 403745711 /nfs/dbraw/zinc/74/57/11/403745711.db2.gz FZPSFNKPPNIXIW-AWEZNQCLSA-N 0 3 324.421 2.018 20 10 DECDHN Cc1ccc([O-])c(C[N@@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)c1 ZINC000295054389 403745713 /nfs/dbraw/zinc/74/57/13/403745713.db2.gz FZPSFNKPPNIXIW-AWEZNQCLSA-N 0 3 324.421 2.018 20 10 DECDHN Cc1ccc(O)c(CN(C)C[C@@H](O)CNC(=O)OC(C)(C)C)c1 ZINC000295054389 403745716 /nfs/dbraw/zinc/74/57/16/403745716.db2.gz FZPSFNKPPNIXIW-AWEZNQCLSA-N 0 3 324.421 2.018 20 10 DECDHN CCN(C)C(=O)[C@@H](C)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000364769753 404533111 /nfs/dbraw/zinc/53/31/11/404533111.db2.gz MDLNFLBFKQAPFR-CQSZACIVSA-N 0 3 319.449 2.120 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1[O-] ZINC000359871125 404807887 /nfs/dbraw/zinc/80/78/87/404807887.db2.gz MMPZARMBKYIZCE-ZWKOPEQDSA-N 0 3 324.808 2.153 20 10 DECDHN COc1ccc(CN[C@]2(CO)COc3ccccc3C2)cc1C ZINC000527768399 406744830 /nfs/dbraw/zinc/74/48/30/406744830.db2.gz NHUVTWNCOPWDDF-LJQANCHMSA-N 0 3 313.397 2.459 20 10 DECDHN C[C@@]1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CCO[C@H]1C1CC1 ZINC000368765341 227018184 /nfs/dbraw/zinc/01/81/84/227018184.db2.gz NTYNHWKVFAJKPS-IRXDYDNUSA-N 0 3 305.374 2.416 20 10 DECDHN Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2Cc2ccccc2[O-])cn1 ZINC000374889569 227142000 /nfs/dbraw/zinc/14/20/00/227142000.db2.gz CCMGKAIQFSGQKS-RDJZCZTQSA-N 0 3 301.390 2.214 20 10 DECDHN Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2Cc2ccccc2[O-])cn1 ZINC000374889569 227142008 /nfs/dbraw/zinc/14/20/08/227142008.db2.gz CCMGKAIQFSGQKS-RDJZCZTQSA-N 0 3 301.390 2.214 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CC[C@@](CO)(C(C)C)C2)cc1OC ZINC000378130024 227208349 /nfs/dbraw/zinc/20/83/49/227208349.db2.gz MXPHXEZTBQXALG-QGZVFWFLSA-N 0 3 309.406 2.250 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CC[C@@](CO)(C(C)C)C2)cc1OC ZINC000378130024 227208354 /nfs/dbraw/zinc/20/83/54/227208354.db2.gz MXPHXEZTBQXALG-QGZVFWFLSA-N 0 3 309.406 2.250 20 10 DECDHN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc2c1CNC2 ZINC000662751700 425728623 /nfs/dbraw/zinc/72/86/23/425728623.db2.gz CAUPRECGVIXDQK-UHFFFAOYSA-N 0 3 323.396 2.395 20 10 DECDHN Cc1cc(CN(C)[C@H](C)CN2CCOCC2)ccc1N(C)C ZINC000294000069 301270793 /nfs/dbraw/zinc/27/07/93/301270793.db2.gz FZNUYBGABPFVLX-MRXNPFEDSA-N 0 3 305.466 2.214 20 10 DECDHN CC(=O)NCC1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000271150944 519654786 /nfs/dbraw/zinc/65/47/86/519654786.db2.gz UJLLNATYYVRLTO-UHFFFAOYSA-N 0 3 307.413 2.240 20 10 DECDHN CCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000179939933 519896148 /nfs/dbraw/zinc/89/61/48/519896148.db2.gz SLLFLRKTRHKQSW-ZDUSSCGKSA-N 0 3 306.406 2.139 20 10 DECDHN CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000179939933 519896149 /nfs/dbraw/zinc/89/61/49/519896149.db2.gz SLLFLRKTRHKQSW-ZDUSSCGKSA-N 0 3 306.406 2.139 20 10 DECDHN CCCOc1ccc(C[NH+]2CCC(C(=O)NC)CC2)c([O-])c1 ZINC000155998019 520348006 /nfs/dbraw/zinc/34/80/06/520348006.db2.gz CTIAQQIHORNEFM-UHFFFAOYSA-N 0 3 306.406 2.139 20 10 DECDHN COc1cc([O-])c(C[NH2+]C[C@](C)(O)c2ccsc2)cc1OC ZINC000182405078 522781922 /nfs/dbraw/zinc/78/19/22/522781922.db2.gz VAFLHKVWCWGEBB-INIZCTEOSA-N 0 3 323.414 2.468 20 10 DECDHN Cc1nn(C)cc1[C@H]1CCCN1Cc1cc2c(cc1O)OCO2 ZINC000372741618 534852192 /nfs/dbraw/zinc/85/21/92/534852192.db2.gz QJCYLMMZNMPEDC-CQSZACIVSA-N 0 3 315.373 2.500 20 10 DECDHN COC1(CO)CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835051810 649872539 /nfs/dbraw/zinc/87/25/39/649872539.db2.gz JYJNICNFISEKDF-SNAWJCMRSA-N 0 3 304.434 2.239 20 10 DECDHN CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000179497359 625657890 /nfs/dbraw/zinc/65/78/90/625657890.db2.gz GXAKBURWRQQIJV-ZDUSSCGKSA-N 0 3 306.406 2.401 20 10 DECDHN CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000179497359 625657893 /nfs/dbraw/zinc/65/78/93/625657893.db2.gz GXAKBURWRQQIJV-ZDUSSCGKSA-N 0 3 306.406 2.401 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)CSC2CC2)N(C)C)cc1 ZINC000891246657 623790704 /nfs/dbraw/zinc/79/07/04/623790704.db2.gz DJHOYDVWAVLHPR-INIZCTEOSA-N 0 3 321.490 2.367 20 10 DECDHN CS/C=C/C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891250652 623795629 /nfs/dbraw/zinc/79/56/29/623795629.db2.gz BHWRXJMGLXKINS-NKSUMMKUSA-N 0 3 307.463 2.348 20 10 DECDHN CCC[C@](C)(O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251064 623797248 /nfs/dbraw/zinc/79/72/48/623797248.db2.gz CUXVOBBFESLMRC-AEFFLSMTSA-N 0 3 321.465 2.023 20 10 DECDHN COc1ccc(CNC(C)(C)c2cnn(C)c2)c(O)c1OC ZINC000892964751 625815367 /nfs/dbraw/zinc/81/53/67/625815367.db2.gz ACTASRILPMRBLX-UHFFFAOYSA-N 0 3 305.378 2.168 20 10 DECDHN C[C@H](NC(=O)N[C@H]1CCN(C)[C@H]1C)c1ccc(N(C)C)cc1 ZINC000922056281 635830675 /nfs/dbraw/zinc/83/06/75/635830675.db2.gz XOAZRVOJLXKINQ-XEZPLFJOSA-N 0 3 304.438 2.205 20 10 DECDHN C[N@@H+]1CCC[C@H](CCNC(=O)NCc2c([O-])cccc2F)C1 ZINC000922854838 636441435 /nfs/dbraw/zinc/44/14/35/636441435.db2.gz YIAJXXMVTIXFNF-GFCCVEGCSA-N 0 3 309.385 2.062 20 10 DECDHN C[N@H+]1CCC[C@H](CCNC(=O)NCc2c([O-])cccc2F)C1 ZINC000922854838 636441440 /nfs/dbraw/zinc/44/14/40/636441440.db2.gz YIAJXXMVTIXFNF-GFCCVEGCSA-N 0 3 309.385 2.062 20 10 DECDHN COC(=O)[C@@H]1[C@H](CNCc2ccc(N(C)C)cc2C)C1(F)F ZINC000894256789 636581797 /nfs/dbraw/zinc/58/17/97/636581797.db2.gz WODLAQRHLVLGOC-KBPBESRZSA-N 0 3 312.360 2.205 20 10 DECDHN COc1ccc(N2CC[C@H](CNc3nc(C)cc(N)n3)C2)cc1 ZINC000894268797 636627137 /nfs/dbraw/zinc/62/71/37/636627137.db2.gz MYTVLGWOORBWGP-CYBMUJFWSA-N 0 3 313.405 2.314 20 10 DECDHN C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cccc(O)c1[O-] ZINC000187014447 636670483 /nfs/dbraw/zinc/67/04/83/636670483.db2.gz CKSIZCLUUGPIII-JHJVBQTASA-N 0 3 306.406 2.194 20 10 DECDHN C[C@@H]1C[C@H]1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000894696003 637168806 /nfs/dbraw/zinc/16/88/06/637168806.db2.gz UZENOEKFRGTCML-DAXOMENPSA-N 0 3 304.438 2.063 20 10 DECDHN Cc1cc(N(C)C)ccc1CNCc1ccc(-n2cncn2)nc1 ZINC000840929411 650387570 /nfs/dbraw/zinc/38/75/70/650387570.db2.gz CWVFAORYDJRURG-UHFFFAOYSA-N 0 3 322.416 2.327 20 10 DECDHN COc1cccc2c1CC[C@@]2(CO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000895634262 638116256 /nfs/dbraw/zinc/11/62/56/638116256.db2.gz KSSQNEXODPQQSM-SFHVURJKSA-N 0 3 317.360 2.464 20 10 DECDHN CCOc1ccc(C[NH+]2CCC3(CC2)COCCO3)c([O-])c1 ZINC000895694975 638147783 /nfs/dbraw/zinc/14/77/83/638147783.db2.gz ONPKZEIXUHHJFS-UHFFFAOYSA-N 0 3 307.390 2.172 20 10 DECDHN CCO/C=C\[C@@](O)(C[NH2+]Cc1ccccc1[O-])C(F)(F)F ZINC000895707411 638153839 /nfs/dbraw/zinc/15/38/39/638153839.db2.gz LMWXKRACPHSBBZ-MEJMFZKBSA-N 0 3 305.296 2.325 20 10 DECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]([C@@]2(C)COC(=O)N2)C1 ZINC000896396391 638501881 /nfs/dbraw/zinc/50/18/81/638501881.db2.gz PJNFKAIJHYUCPN-SJKOYZFVSA-N 0 3 320.389 2.111 20 10 DECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]([C@@]2(C)COC(=O)N2)C1 ZINC000896396391 638501885 /nfs/dbraw/zinc/50/18/85/638501885.db2.gz PJNFKAIJHYUCPN-SJKOYZFVSA-N 0 3 320.389 2.111 20 10 DECDHN O=[N+]([O-])c1cc(CN[C@H]2CCOC2)ccc1N1CCCCC1 ZINC000752106410 639156766 /nfs/dbraw/zinc/15/67/66/639156766.db2.gz VSUHWWUATQHIHB-AWEZNQCLSA-N 0 3 305.378 2.464 20 10 DECDHN C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COCC2CC2)c2c1c(F)ccc2[O-] ZINC000756512124 639667892 /nfs/dbraw/zinc/66/78/92/639667892.db2.gz VOYREGXDGJYLCO-QKCSRTOESA-N 0 3 309.381 2.457 20 10 DECDHN CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756703286 639687415 /nfs/dbraw/zinc/68/74/15/639687415.db2.gz AWTWBXWBFMJHBU-SCVCMEIPSA-N 0 3 315.410 2.492 20 10 DECDHN C[C@@H]1CN[C@@H](C)CN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841709376 650546953 /nfs/dbraw/zinc/54/69/53/650546953.db2.gz DXPCPPKHHYMVSN-LSDHHAIUSA-N 0 3 316.449 2.179 20 10 DECDHN CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000761215500 640286265 /nfs/dbraw/zinc/28/62/65/640286265.db2.gz MESUKSPFJYXDQN-VXGBXAGGSA-N 0 3 312.797 2.059 20 10 DECDHN C[C@@H](NC(=O)N1C[C@@H](C)NC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000841881662 650591210 /nfs/dbraw/zinc/59/12/10/650591210.db2.gz BKXYFDBNSVNLNX-HZSPNIEDSA-N 0 3 304.438 2.205 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCN(CC(F)F)C2)c1[O-] ZINC000841893461 650595568 /nfs/dbraw/zinc/59/55/68/650595568.db2.gz FKQPMEDNJVFFJQ-LLVKDONJSA-N 0 3 320.767 2.483 20 10 DECDHN CCOc1ccc(C[NH2+][C@@H]2CCOC23CCOCC3)c([O-])c1 ZINC000898116192 641025570 /nfs/dbraw/zinc/02/55/70/641025570.db2.gz NWILDTOQXMHNHE-MRXNPFEDSA-N 0 3 307.390 2.219 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]([C@H]3CCOC3)C1)[C@H](O)CO2 ZINC000768461864 641084476 /nfs/dbraw/zinc/08/44/76/641084476.db2.gz GQTSOKSVXDHWBT-GDZNZVCISA-N 0 3 319.401 2.067 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]([C@H]3CCOC3)C1)[C@H](O)CO2 ZINC000768461864 641084479 /nfs/dbraw/zinc/08/44/79/641084479.db2.gz GQTSOKSVXDHWBT-GDZNZVCISA-N 0 3 319.401 2.067 20 10 DECDHN COc1cccc([O-])c1C[NH2+][C@H](C)CNC(=O)OC(C)(C)C ZINC000768952794 641149201 /nfs/dbraw/zinc/14/92/01/641149201.db2.gz ROGMRLPKRSSMLH-LLVKDONJSA-N 0 3 310.394 2.404 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c([O-])c1 ZINC000770282018 641353954 /nfs/dbraw/zinc/35/39/54/641353954.db2.gz PQNMXPKRSCJUEA-HOCLYGCPSA-N 0 3 309.431 2.497 20 10 DECDHN CCOc1ccc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c([O-])c1 ZINC000770282018 641353957 /nfs/dbraw/zinc/35/39/57/641353957.db2.gz PQNMXPKRSCJUEA-HOCLYGCPSA-N 0 3 309.431 2.497 20 10 DECDHN Cc1n[nH]cc1[C@@H](C)NCc1ccc(N2CCOCC2)cc1 ZINC000779022493 642456964 /nfs/dbraw/zinc/45/69/64/642456964.db2.gz CDMCYJGSDQDRMO-CYBMUJFWSA-N 0 3 300.406 2.406 20 10 DECDHN CC1(C)CN(Cc2ccc(N3CCOCC3)c(F)c2)CC[C@H]1O ZINC000783730203 643043533 /nfs/dbraw/zinc/04/35/33/643043533.db2.gz SAODNPVXFBSSQY-QGZVFWFLSA-N 0 3 322.424 2.255 20 10 DECDHN C[C@H](NCc1ccnc(N)c1)c1ccc(N2CCOCC2)cc1 ZINC000785780879 643280880 /nfs/dbraw/zinc/28/08/80/643280880.db2.gz KFYMJWAHYYNPON-AWEZNQCLSA-N 0 3 312.417 2.351 20 10 DECDHN COc1c([O-])c(CN(C)CC[C@@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000843055899 650879284 /nfs/dbraw/zinc/87/92/84/650879284.db2.gz ALMOQUAUWPFJOM-GFCCVEGCSA-N 0 3 311.382 2.114 20 10 DECDHN COc1cc(C)cc(CN2C[C@H](C)O[C@@]3(CCOC3)C2)c1O ZINC000794710597 644464691 /nfs/dbraw/zinc/46/46/91/644464691.db2.gz ZBTHTZREMLDGPI-GUYCJALGSA-N 0 3 307.390 2.089 20 10 DECDHN CC(=O)c1cc(F)cc(CN2CC[C@@]3(C2)CCC[NH2+]C3)c1[O-] ZINC000843380119 650962497 /nfs/dbraw/zinc/96/24/97/650962497.db2.gz PIIWGZTVMOXCOT-KRWDZBQOSA-N 0 3 306.381 2.309 20 10 DECDHN COc1ccc(O)c(CNCc2cc(C(F)(F)F)n[nH]2)c1 ZINC000799337257 645161371 /nfs/dbraw/zinc/16/13/71/645161371.db2.gz VSYGJBXEWSJNMH-UHFFFAOYSA-N 0 3 301.268 2.433 20 10 DECDHN CO[C@@H]1C[C@@H]([N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)C12CCC2 ZINC000840140269 646092117 /nfs/dbraw/zinc/09/21/17/646092117.db2.gz MUXJMGZYSLTFFH-DJIMGWMZSA-N 0 3 319.401 2.207 20 10 DECDHN CO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)C12CCC2 ZINC000840140269 646092119 /nfs/dbraw/zinc/09/21/19/646092119.db2.gz MUXJMGZYSLTFFH-DJIMGWMZSA-N 0 3 319.401 2.207 20 10 DECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)c1[O-] ZINC000808696870 646130563 /nfs/dbraw/zinc/13/05/63/646130563.db2.gz ZFSKAXRQAGRVSF-TZMCWYRMSA-N 0 3 311.857 2.250 20 10 DECDHN Cc1cc(C)c(O)c(CN2CCN(c3cnn(C)c3)CC2)c1 ZINC000164438865 646444432 /nfs/dbraw/zinc/44/44/32/646444432.db2.gz WTKPNYQNBCRPGN-UHFFFAOYSA-N 0 3 300.406 2.065 20 10 DECDHN C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1c([O-])cccc1F ZINC000914080236 647148340 /nfs/dbraw/zinc/14/83/40/647148340.db2.gz BDEPTULIFHQBPG-GFCCVEGCSA-N 0 3 309.385 2.205 20 10 DECDHN COc1cccc(CN2CCC(OC(=O)N(C)C)CC2)c1O ZINC000816654846 647163541 /nfs/dbraw/zinc/16/35/41/647163541.db2.gz CGMIEXQRQCVMLT-UHFFFAOYSA-N 0 3 308.378 2.063 20 10 DECDHN CCOc1ccc(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)c([O-])c1 ZINC000816666133 647165606 /nfs/dbraw/zinc/16/56/06/647165606.db2.gz FOEZUGBSTDAUQQ-MSOLQXFVSA-N 0 3 321.417 2.201 20 10 DECDHN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCN(C)[C@@H]2C)cc1 ZINC000914254923 647241246 /nfs/dbraw/zinc/24/12/46/647241246.db2.gz VGMLBIWLRMKQHO-RHSMWYFYSA-N 0 3 318.465 2.425 20 10 DECDHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCN1C1CCCC1 ZINC000821807544 648112323 /nfs/dbraw/zinc/11/23/23/648112323.db2.gz VOUKUSSBSGSAOI-DOMZBBRYSA-N 0 3 318.417 2.162 20 10 DECDHN CC[C@@H]1CN(C)CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000822616501 648244420 /nfs/dbraw/zinc/24/44/20/648244420.db2.gz HKVHLNSILVZXND-CQSZACIVSA-N 0 3 317.393 2.405 20 10 DECDHN Cc1cc(Br)cc(CN2CC[C@@H](O)[C@H]2C)c1O ZINC000825104022 648703677 /nfs/dbraw/zinc/70/36/77/648703677.db2.gz KPLVGEXOUOPAAL-BXKDBHETSA-N 0 3 300.196 2.418 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]C[C@H](OC)[C@H]2CCOC2)c1[O-] ZINC000826821767 648931927 /nfs/dbraw/zinc/93/19/27/648931927.db2.gz CSOMVCPIYHRRET-HZMBPMFUSA-N 0 3 315.797 2.195 20 10 DECDHN CN(C)c1ccc(/C=C\CNC[C@H]2CN(C3CC3)C(=O)O2)cc1 ZINC000848576258 651473587 /nfs/dbraw/zinc/47/35/87/651473587.db2.gz LFQLUIVTWHGVMA-LIMHQNJXSA-N 0 3 315.417 2.339 20 10 DECDHN Cc1ncc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)n1C ZINC000850078883 651821866 /nfs/dbraw/zinc/82/18/66/651821866.db2.gz ZBFDUKDJIUQUPR-AWEZNQCLSA-N 0 3 314.433 2.416 20 10 DECDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000850397604 651920576 /nfs/dbraw/zinc/92/05/76/651920576.db2.gz YVWAZARBHAYUSX-GFCCVEGCSA-N 0 3 306.406 2.137 20 10 DECDHN NC(=O)CC1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CCCCC1 ZINC000850412127 651923079 /nfs/dbraw/zinc/92/30/79/651923079.db2.gz AQASODSTUWZBMT-UHFFFAOYSA-N 0 3 320.389 2.036 20 10 DECDHN COc1ccc(N2CC[C@H](N[C@H](C)c3ccc(=O)[nH]n3)C2)cc1 ZINC000850488762 651937890 /nfs/dbraw/zinc/93/78/90/651937890.db2.gz OLOBSNHSTGXOKM-OLZOCXBDSA-N 0 3 314.389 2.120 20 10 DECDHN O=[S@@](CC[NH2+][C@H]1CCc2cccc([O-])c21)CC(F)(F)F ZINC000850495202 651939507 /nfs/dbraw/zinc/93/95/07/651939507.db2.gz YGNKMQARPRPSIR-FVINQWEUSA-N 0 3 307.337 2.280 20 10 DECDHN Cn1nccc1[C@H](O)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000857060686 652043069 /nfs/dbraw/zinc/04/30/69/652043069.db2.gz DRHSQKZVWQZXHD-QGZVFWFLSA-N 0 3 301.390 2.071 20 10 DECDHN [NH3+][C@]12CCC[C@@H]1CN(Cc1cc(Br)ccc1[O-])C2 ZINC000857226745 652083506 /nfs/dbraw/zinc/08/35/06/652083506.db2.gz YMMNPZPCQAAWCU-RISCZKNCSA-N 0 3 311.223 2.468 20 10 DECDHN CN(C)c1cc(F)c(CN[C@@H]2CCN(CC(F)F)C2)cc1F ZINC000858179922 652273060 /nfs/dbraw/zinc/27/30/60/652273060.db2.gz XENQLTPZPAJWKE-LLVKDONJSA-N 0 3 319.346 2.460 20 10 DECDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCN1CC[C@@H](O)C1 ZINC000858297500 652299489 /nfs/dbraw/zinc/29/94/89/652299489.db2.gz GFZZGSNKEUPROP-GOSISDBHSA-N 0 3 312.413 2.215 20 10 DECDHN CCOc1cccc(CN[C@H]2CCN(C3CCC3)C2=O)c1O ZINC000858342654 652312832 /nfs/dbraw/zinc/31/28/32/652312832.db2.gz OVJNKTGUVKPYSO-AWEZNQCLSA-N 0 3 304.390 2.034 20 10 DECDHN COc1ccc(O)c([C@H](C)NC(=O)C2(N)CC3(CCC3)C2)c1 ZINC000852885806 652475203 /nfs/dbraw/zinc/47/52/03/652475203.db2.gz URNLNWMQKUZPFP-NSHDSACASA-N 0 3 304.390 2.240 20 10 DECDHN [NH3+][C@@H]1CN(Cc2cc(Br)ccc2[O-])CC[C@H]1F ZINC000853247892 652529742 /nfs/dbraw/zinc/52/97/42/652529742.db2.gz FIZDRXJDMLMMTL-GHMZBOCLSA-N 0 3 303.175 2.026 20 10 DECDHN COc1ccc(O)c(CNC(=O)NC[C@H]2CCN2C(C)(C)C)c1 ZINC000853736908 652596062 /nfs/dbraw/zinc/59/60/62/652596062.db2.gz SSVMNACZEVYXPT-CYBMUJFWSA-N 0 3 321.421 2.073 20 10 DECDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCCc3c1cnn3CCO)CC2 ZINC000391863006 685447109 /nfs/dbraw/zinc/44/71/09/685447109.db2.gz UBNOWCGQJLKAEG-LSDHHAIUSA-N 0 3 313.401 2.236 20 10 DECDHN C[C@@]1(O)CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000129487628 684179944 /nfs/dbraw/zinc/17/99/44/684179944.db2.gz UZKIVOOFQKRCFD-QGZVFWFLSA-N 0 3 308.397 2.009 20 10 DECDHN CCCCNC(=O)CCN1CCN(c2ccc(OC)cc2)CC1 ZINC000244321180 685108606 /nfs/dbraw/zinc/10/86/06/685108606.db2.gz XIMFXXBDIYXQTM-UHFFFAOYSA-N 0 3 319.449 2.124 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H]4COC(=O)[C@@H]4C3)c2c1 ZINC000863338259 686480455 /nfs/dbraw/zinc/48/04/55/686480455.db2.gz PPXJUFOLMGNOIQ-IUODEOHRSA-N 0 3 313.353 2.159 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H]4COC(=O)[C@@H]4C3)c2c1 ZINC000863338259 686480457 /nfs/dbraw/zinc/48/04/57/686480457.db2.gz PPXJUFOLMGNOIQ-IUODEOHRSA-N 0 3 313.353 2.159 20 10 DECDHN COCCC1([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCNCC1 ZINC000873224618 689187975 /nfs/dbraw/zinc/18/79/75/689187975.db2.gz ILTPYRJWHOVTHA-UHFFFAOYSA-N 0 3 316.804 2.433 20 10 DECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000876583688 689865891 /nfs/dbraw/zinc/86/58/91/689865891.db2.gz NPSRWFWLIDBGHE-OAHLLOKOSA-N 0 3 302.418 2.439 20 10 DECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000876583688 689865897 /nfs/dbraw/zinc/86/58/97/689865897.db2.gz NPSRWFWLIDBGHE-OAHLLOKOSA-N 0 3 302.418 2.439 20 10 DECDHN Cc1cccc(O)c1CN1CCN(Cc2cscn2)CC1 ZINC000876633275 689882771 /nfs/dbraw/zinc/88/27/71/689882771.db2.gz PWDPFCKPRLSEIE-UHFFFAOYSA-N 0 3 303.431 2.475 20 10 DECDHN COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876632139 689883220 /nfs/dbraw/zinc/88/32/20/689883220.db2.gz HOEHKWYUXSETPH-ZBFHGGJFSA-N 0 3 320.433 2.064 20 10 DECDHN COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876632139 689883222 /nfs/dbraw/zinc/88/32/22/689883222.db2.gz HOEHKWYUXSETPH-ZBFHGGJFSA-N 0 3 320.433 2.064 20 10 DECDHN CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(C)cc1[O-])CC2 ZINC000876763279 689929172 /nfs/dbraw/zinc/92/91/72/689929172.db2.gz JROQLXBPGPVDMM-SJORKVTESA-N 0 3 305.418 2.453 20 10 DECDHN Cc1cccc([O-])c1C[NH2+]C[C@H](O)COc1cccc(F)c1 ZINC000876966314 689984884 /nfs/dbraw/zinc/98/48/84/689984884.db2.gz POATWUBYAMLPOJ-AWEZNQCLSA-N 0 3 305.349 2.369 20 10 DECDHN Cc1ccc(CN(CCO)CCNC(=O)OC(C)(C)C)c(O)c1 ZINC000877395197 690100372 /nfs/dbraw/zinc/10/03/72/690100372.db2.gz YQFQVMVHFALXRR-UHFFFAOYSA-N 0 3 324.421 2.020 20 10 DECDHN OC1CCN(c2ccc(CNC3(CF)CCOCC3)cc2)CC1 ZINC000877562755 690152953 /nfs/dbraw/zinc/15/29/53/690152953.db2.gz BUJWSEXSEQFCLA-UHFFFAOYSA-N 0 3 322.424 2.256 20 10 DECDHN CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000877607494 690165556 /nfs/dbraw/zinc/16/55/56/690165556.db2.gz GPYMNANJXMZWPP-AWEZNQCLSA-N 0 3 316.323 2.201 20 10 DECDHN CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000877607494 690165558 /nfs/dbraw/zinc/16/55/58/690165558.db2.gz GPYMNANJXMZWPP-AWEZNQCLSA-N 0 3 316.323 2.201 20 10 DECDHN COc1cccc(O)c1CN1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000877665643 690183387 /nfs/dbraw/zinc/18/33/87/690183387.db2.gz CWSVKMJJNAKJDO-SJLPKXTDSA-N 0 3 315.369 2.025 20 10 DECDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000877665643 690183388 /nfs/dbraw/zinc/18/33/88/690183388.db2.gz CWSVKMJJNAKJDO-SJLPKXTDSA-N 0 3 315.369 2.025 20 10 DECDHN COc1cccc([O-])c1C[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000877665643 690183389 /nfs/dbraw/zinc/18/33/89/690183389.db2.gz CWSVKMJJNAKJDO-SJLPKXTDSA-N 0 3 315.369 2.025 20 10 DECDHN COc1cccc([O-])c1C[N@@H+]1CCCCCCNC(=O)CC1 ZINC000877686421 690191491 /nfs/dbraw/zinc/19/14/91/690191491.db2.gz VTIDKWPUFLIZQE-UHFFFAOYSA-N 0 3 306.406 2.283 20 10 DECDHN COc1cccc([O-])c1C[N@H+]1CCCCCCNC(=O)CC1 ZINC000877686421 690191493 /nfs/dbraw/zinc/19/14/93/690191493.db2.gz VTIDKWPUFLIZQE-UHFFFAOYSA-N 0 3 306.406 2.283 20 10 DECDHN COc1cccc(CN2CCCN(C(=O)CC(C)C)CC2)c1O ZINC000877774575 690222485 /nfs/dbraw/zinc/22/24/85/690222485.db2.gz NFCJIBQJYXTQKN-UHFFFAOYSA-N 0 3 320.433 2.481 20 10 DECDHN COc1c(C)[nH]cc(CN(C)Cc2ccc(N(C)C)cc2)c1=O ZINC000931324613 694368908 /nfs/dbraw/zinc/36/89/08/694368908.db2.gz GDDHMGMOHRMWNG-UHFFFAOYSA-N 0 3 315.417 2.390 20 10 DECDHN CCN(C)c1ccc(CN2CCC[C@H]3CCNC(=O)[C@@H]32)cc1 ZINC000880523502 690917726 /nfs/dbraw/zinc/91/77/26/690917726.db2.gz IIFHTQXQQAOUAK-DOTOQJQBSA-N 0 3 301.434 2.243 20 10 DECDHN COc1ccc(N(C)CCN(C)C[C@](C)(O)C(F)F)cc1 ZINC000886267008 692039390 /nfs/dbraw/zinc/03/93/90/692039390.db2.gz CZYZWNKMYGQDBT-HNNXBMFYSA-N 0 3 302.365 2.079 20 10 DECDHN C[C@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886595061 692123489 /nfs/dbraw/zinc/12/34/89/692123489.db2.gz ZVXWCICMPBUSMH-KGLIPLIRSA-N 0 3 309.429 2.208 20 10 DECDHN C[C@@H](NC[C@H]1C[NH2+]CCC1(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000925784809 693341472 /nfs/dbraw/zinc/34/14/72/693341472.db2.gz SKYCPMBMXVUNQZ-NXEZZACHSA-N 0 3 315.320 2.196 20 10 DECDHN CN(C)CCN(C(=O)Cc1ccc(O)c(O)c1)C1CCCCC1 ZINC001143966214 790699448 /nfs/dbraw/zinc/69/94/48/790699448.db2.gz XLPYSRVGVQZQAP-UHFFFAOYSA-N 0 3 320.433 2.363 20 10 DECDHN CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001096640624 787777930 /nfs/dbraw/zinc/77/79/30/787777930.db2.gz ACCIZAWKZYJIQJ-RDBSUJKOSA-N 0 3 315.377 2.204 20 10 DECDHN CCN1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[C@H]1C ZINC001072103200 790053388 /nfs/dbraw/zinc/05/33/88/790053388.db2.gz VIBFMKUMSCGWOQ-RISCZKNCSA-N 0 3 317.393 2.452 20 10 DECDHN C[C@H]1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CCO1 ZINC001333866365 1150107290 /nfs/dbraw/zinc/10/72/90/1150107290.db2.gz DYXFRQJGYZYSNG-HNNXBMFYSA-N 0 3 321.440 2.188 20 10 DECDHN C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1O ZINC001175419093 794204009 /nfs/dbraw/zinc/20/40/09/794204009.db2.gz RWOVNONASJOBII-JTQLQIEISA-N 0 3 315.329 2.250 20 10 DECDHN C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCN1C1CCCC1 ZINC001177713625 794735705 /nfs/dbraw/zinc/73/57/05/794735705.db2.gz WRJRKXAZBUUDQV-CYBMUJFWSA-N 0 3 318.417 2.116 20 10 DECDHN C[C@@]1(CO)CN(Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1O ZINC001138215754 796184188 /nfs/dbraw/zinc/18/41/88/796184188.db2.gz SEONFDXHZTUYQB-OALUTQOASA-N 0 3 318.461 2.242 20 10 DECDHN CN1CCN(c2ccc(CN3CCCCC34COC4)cc2)CC1 ZINC001139409382 796372523 /nfs/dbraw/zinc/37/25/23/796372523.db2.gz KTYZTCXJBGENBQ-UHFFFAOYSA-N 0 3 315.461 2.193 20 10 DECDHN CCc1ncnc2c1CC[N@H+](Cc1cc(F)ccc1[O-])CC2 ZINC001140054238 796471292 /nfs/dbraw/zinc/47/12/92/796471292.db2.gz NAMJXEJXGYWJBZ-UHFFFAOYSA-N 0 3 301.365 2.485 20 10 DECDHN CCc1ncnc2c1CC[N@@H+](Cc1cc(F)ccc1[O-])CC2 ZINC001140054238 796471296 /nfs/dbraw/zinc/47/12/96/796471296.db2.gz NAMJXEJXGYWJBZ-UHFFFAOYSA-N 0 3 301.365 2.485 20 10 DECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H](Oc2ncccn2)C1 ZINC001140060250 796472452 /nfs/dbraw/zinc/47/24/52/796472452.db2.gz REHOYBYZXPWNLF-AWEZNQCLSA-N 0 3 303.337 2.365 20 10 DECDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H](Oc2ncccn2)C1 ZINC001140060250 796472456 /nfs/dbraw/zinc/47/24/56/796472456.db2.gz REHOYBYZXPWNLF-AWEZNQCLSA-N 0 3 303.337 2.365 20 10 DECDHN COC[C@H]1CN(Cc2cc(C)ccc2O)Cc2cn(C)nc21 ZINC001140620778 796546488 /nfs/dbraw/zinc/54/64/88/796546488.db2.gz BEKDSQOUCXFANR-OAHLLOKOSA-N 0 3 301.390 2.180 20 10 DECDHN C[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2F)[C@@H]1CO ZINC001140660542 796552409 /nfs/dbraw/zinc/55/24/09/796552409.db2.gz VMRCTPFMJBHTSB-RDTXWAMCSA-N 0 3 322.424 2.255 20 10 DECDHN C[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2F)CC[C@@H]1O ZINC001140660211 796552610 /nfs/dbraw/zinc/55/26/10/796552610.db2.gz JOGRVFNTHVFADQ-KDOFPFPSSA-N 0 3 322.424 2.255 20 10 DECDHN Cc1c(O)ccc(CN2CCN(c3cccc(O)c3)CC2)c1O ZINC001140748223 796567244 /nfs/dbraw/zinc/56/72/44/796567244.db2.gz VECLVRWJUCYFRY-UHFFFAOYSA-N 0 3 314.385 2.434 20 10 DECDHN Cc1ccc(CN2CCN(CCc3ccncc3)CC2)c(O)c1 ZINC001140949968 796605063 /nfs/dbraw/zinc/60/50/63/796605063.db2.gz OVUJLEJPRJBQIK-UHFFFAOYSA-N 0 3 311.429 2.456 20 10 DECDHN COC(=O)C[C@@H]1CCCN(Cc2ccc3c(c2)OCCN3C)C1 ZINC001141145661 796639983 /nfs/dbraw/zinc/63/99/83/796639983.db2.gz XRBQMKQLLXRVKO-AWEZNQCLSA-N 0 3 318.417 2.290 20 10 DECDHN Oc1ccc(O)c(CN2CCCN(Cc3ccncc3)CC2)c1 ZINC001141156692 796642536 /nfs/dbraw/zinc/64/25/36/796642536.db2.gz QTXWVQJCISNDAP-UHFFFAOYSA-N 0 3 313.401 2.201 20 10 DECDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@@H](F)CCN1 ZINC001161134849 798800521 /nfs/dbraw/zinc/80/05/21/798800521.db2.gz PYIROIAIXOWTEG-HOCLYGCPSA-N 0 3 307.413 2.191 20 10 DECDHN O=C(c1ccco1)N1CC[C@H]2C[N@@H+](Cc3ccccc3[O-])C[C@H]21 ZINC001203552306 800079089 /nfs/dbraw/zinc/07/90/89/800079089.db2.gz IRDJGMROJGBBIB-DZGCQCFKSA-N 0 3 312.369 2.332 20 10 DECDHN O=C(c1ccco1)N1CC[C@H]2C[N@H+](Cc3ccccc3[O-])C[C@H]21 ZINC001203552306 800079099 /nfs/dbraw/zinc/07/90/99/800079099.db2.gz IRDJGMROJGBBIB-DZGCQCFKSA-N 0 3 312.369 2.332 20 10 DECDHN COc1ccc(CN2CCC[C@H](NC(=O)NC(C)C)C2)c(O)c1 ZINC001203634920 800096806 /nfs/dbraw/zinc/09/68/06/800096806.db2.gz BJSNPAWHGOBFEC-AWEZNQCLSA-N 0 3 321.421 2.073 20 10 DECDHN O=C([C@@H]1CCCCN1Cc1ccc(O)cc1O)N1CCCC1 ZINC001204274423 800198172 /nfs/dbraw/zinc/19/81/72/800198172.db2.gz ANTIFNXFOHVXQN-HNNXBMFYSA-N 0 3 304.390 2.075 20 10 DECDHN Oc1ccc(CN2CCCc3cc(O)c(O)cc3C2)c(O)c1 ZINC001204279583 800200265 /nfs/dbraw/zinc/20/02/65/800200265.db2.gz BSGOFBGDEBYYLX-UHFFFAOYSA-N 0 3 301.342 2.457 20 10 DECDHN CC(=O)N[C@H]1CCCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204327288 800205384 /nfs/dbraw/zinc/20/53/84/800205384.db2.gz PJJGXPHNKLZQAM-KRWDZBQOSA-N 0 3 301.434 2.387 20 10 DECDHN COc1cc(CN2CC[C@@H](Oc3cccnc3)C2)c(O)cc1O ZINC001231636351 801700587 /nfs/dbraw/zinc/70/05/87/801700587.db2.gz SWNRRWYGVVYVTA-CQSZACIVSA-N 0 3 316.357 2.155 20 10 DECDHN COc1cc(N(C)C)ccc1CN1CCN2CCCC[C@H]2C1 ZINC001231851936 801737508 /nfs/dbraw/zinc/73/75/08/801737508.db2.gz JPBXVHJGZRGUFC-KRWDZBQOSA-N 0 3 303.450 2.431 20 10 DECDHN CN(C)C1(C)CN(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232200595 801814975 /nfs/dbraw/zinc/81/49/75/801814975.db2.gz VGRLUKMMWDNPCW-UHFFFAOYSA-N 0 3 323.868 2.313 20 10 DECDHN CN(C)c1ccc(CN2CCC(O)(C(F)(F)F)CC2)c(O)c1 ZINC001232835196 801967560 /nfs/dbraw/zinc/96/75/60/801967560.db2.gz ZGJLDQFITFJPQY-UHFFFAOYSA-N 0 3 318.339 2.347 20 10 DECDHN C[NH+](C)C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2[O-])CCO1 ZINC001233452312 802121721 /nfs/dbraw/zinc/12/17/21/802121721.db2.gz QYGGQZKGBFNNAQ-CYBMUJFWSA-N 0 3 318.339 2.173 20 10 DECDHN CC(C)(C)OC(=O)C[C@@H]1CCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233486980 802127691 /nfs/dbraw/zinc/12/76/91/802127691.db2.gz KHYKEGXEUYYZRO-NSHDSACASA-N 0 3 323.389 2.357 20 10 DECDHN C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233726715 802191002 /nfs/dbraw/zinc/19/10/02/802191002.db2.gz GVQISLKZCPCRAH-KOLCDFICSA-N 0 3 305.296 2.494 20 10 DECDHN C[C@@H]1[C@H](CO)CC[N@H+]1Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233726715 802191008 /nfs/dbraw/zinc/19/10/08/802191008.db2.gz GVQISLKZCPCRAH-KOLCDFICSA-N 0 3 305.296 2.494 20 10 DECDHN COC(=O)C1CN(Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC001234526577 802403411 /nfs/dbraw/zinc/40/34/11/802403411.db2.gz XDPSBJXDTUDPHP-UHFFFAOYSA-N 0 3 301.342 2.159 20 10 DECDHN CCOC(=O)C1=CC[C@H]([NH2+]Cc2c(C)cc(OC)cc2[O-])C1 ZINC001462423547 1058823692 /nfs/dbraw/zinc/82/36/92/1058823692.db2.gz FARKVFSVNIIRDV-ZDUSSCGKSA-N 0 3 305.374 2.451 20 10 DECDHN CCn1cncc1CNCc1ccc(N2CCOCC2)cc1 ZINC001473957182 1060779893 /nfs/dbraw/zinc/77/98/93/1060779893.db2.gz MDUDCJQDVJXRMB-UHFFFAOYSA-N 0 3 300.406 2.029 20 10 DECDHN C[C@H](NCc1ccc(N2CCCC2)cc1)C(=O)N1CCCC1 ZINC000378915627 1079279481 /nfs/dbraw/zinc/27/94/81/1079279481.db2.gz LYITZBARFYUVPB-HNNXBMFYSA-N 0 3 301.434 2.387 20 10 DECDHN C[C@@H]1C[C@H]1N1C[C@@H](NCc2ccc(N3CCCC3)cc2)CC1=O ZINC001620817632 1076255746 /nfs/dbraw/zinc/25/57/46/1076255746.db2.gz CDHZJSBJGIHQFZ-UWWQBHOKSA-N 0 3 313.445 2.386 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c([O-])c1 ZINC001658228239 1080202546 /nfs/dbraw/zinc/20/25/46/1080202546.db2.gz YTBODBWANRWLEJ-CYBMUJFWSA-N 0 3 307.390 2.294 20 10 DECDHN COc1cc(C)c(C[N@H+]2CCC[C@@H](C3OCCO3)C2)c([O-])c1 ZINC001658228239 1080202550 /nfs/dbraw/zinc/20/25/50/1080202550.db2.gz YTBODBWANRWLEJ-CYBMUJFWSA-N 0 3 307.390 2.294 20 10 DECDHN CN1c2ccccc2C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1=O ZINC001658546792 1080211360 /nfs/dbraw/zinc/21/13/60/1080211360.db2.gz XNRMMNFOUVHWIF-CQSZACIVSA-N 0 3 300.333 2.209 20 10 DECDHN COCCOC1CC[NH+](Cc2c(C)cc(OC)cc2[O-])CC1 ZINC001663954140 1080841683 /nfs/dbraw/zinc/84/16/83/1080841683.db2.gz ZCKDZDJRACJWCF-UHFFFAOYSA-N 0 3 309.406 2.337 20 10 DECDHN Cn1ccnc1[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])CCO1 ZINC001664979460 1080980390 /nfs/dbraw/zinc/98/03/90/1080980390.db2.gz WQHOJTGWKMHEEP-UKRRQHHQSA-N 0 3 305.353 2.275 20 10 DECDHN Cc1cc(CN2CC3(C2)CCC[NH2+]3)c([O-])cc1Br ZINC001235204192 1084342834 /nfs/dbraw/zinc/34/28/34/1084342834.db2.gz FPSIDSKUCODQAG-UHFFFAOYSA-N 0 3 311.223 2.401 20 10 DECDHN Cn1ccc2c1ccnc2-c1ccc(N2CCN(C)CC2)nc1 ZINC001235967243 1084573617 /nfs/dbraw/zinc/57/36/17/1084573617.db2.gz YYJQTGPUHOEOEA-UHFFFAOYSA-N 0 3 307.401 2.387 20 10 DECDHN Cc1cc(CN2CCC[C@@]23CCN(C)C3=O)ccc1N(C)C ZINC001273206921 1090081943 /nfs/dbraw/zinc/08/19/43/1090081943.db2.gz SGWANWQFXWWFDH-SFHVURJKSA-N 0 3 301.434 2.258 20 10 DECDHN CCN1CC[C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)[C@@H]2C1 ZINC001084861938 1090483731 /nfs/dbraw/zinc/48/37/31/1090483731.db2.gz MVKFOVRJJNOITO-TZMCWYRMSA-N 0 3 315.377 2.015 20 10 DECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@]2(CCN(CC(F)F)C2=O)C1 ZINC001274304325 1091179538 /nfs/dbraw/zinc/17/95/38/1091179538.db2.gz SEZYOPTWYOLWDR-KRWDZBQOSA-N 0 3 324.371 2.390 20 10 DECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@]2(CCN(CC(F)F)C2=O)C1 ZINC001274304325 1091179544 /nfs/dbraw/zinc/17/95/44/1091179544.db2.gz SEZYOPTWYOLWDR-KRWDZBQOSA-N 0 3 324.371 2.390 20 10 DECDHN COc1cc(O)c(CN2CCC[C@]3(CCC(=O)O3)C2)cc1OC ZINC001236757965 1138412472 /nfs/dbraw/zinc/41/24/72/1138412472.db2.gz URJAYTXRWUOGAJ-KRWDZBQOSA-N 0 3 321.373 2.081 20 10 DECDHN COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001236812030 1138436699 /nfs/dbraw/zinc/43/66/99/1138436699.db2.gz YFCCNNOOVVVYOD-WCQYABFASA-N 0 3 307.390 2.340 20 10 DECDHN COC(=O)[C@@H]1C[C@H](C)C[N@@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001236812030 1138436703 /nfs/dbraw/zinc/43/67/03/1138436703.db2.gz YFCCNNOOVVVYOD-WCQYABFASA-N 0 3 307.390 2.340 20 10 DECDHN COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1c(C)cc(OC)cc1[O-])C2 ZINC001236821730 1138439585 /nfs/dbraw/zinc/43/95/85/1138439585.db2.gz SYTTVZZTLSXSFS-IHRRRGAJSA-N 0 3 319.401 2.483 20 10 DECDHN COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c(C)cc(OC)cc1[O-])C2 ZINC001236821730 1138439591 /nfs/dbraw/zinc/43/95/91/1138439591.db2.gz SYTTVZZTLSXSFS-IHRRRGAJSA-N 0 3 319.401 2.483 20 10 DECDHN C[C@@]1(CO)CCN(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236923876 1138457872 /nfs/dbraw/zinc/45/78/72/1138457872.db2.gz IJGPPDXLMKFKDI-QGZVFWFLSA-N 0 3 324.852 2.381 20 10 DECDHN CN(Cc1ccc(N2CCOCC2)cc1Cl)CC1COC1 ZINC001236926479 1138459021 /nfs/dbraw/zinc/45/90/21/1138459021.db2.gz HTEKIIRJLKNAPE-UHFFFAOYSA-N 0 3 310.825 2.255 20 10 DECDHN COc1cc([O-])c(CN2CC[NH2+]C[C@@H]2C(F)(F)F)c(Cl)c1 ZINC001236980592 1138473889 /nfs/dbraw/zinc/47/38/89/1138473889.db2.gz ITVSJGFDEPWKTJ-GFCCVEGCSA-N 0 3 324.730 2.390 20 10 DECDHN COc1cc(N(C)C)ccc1CN1CCNC[C@@H]1C(F)(F)F ZINC001236981873 1138474979 /nfs/dbraw/zinc/47/49/79/1138474979.db2.gz OWVTXHYAQSREDY-CQSZACIVSA-N 0 3 317.355 2.097 20 10 DECDHN COc1cccnc1N1CCN(Cc2c(C)cccc2O)CC1 ZINC001237491041 1138655873 /nfs/dbraw/zinc/65/58/73/1138655873.db2.gz FKVYJCHPNBZMJC-UHFFFAOYSA-N 0 3 313.401 2.426 20 10 DECDHN C[C@@H](O)CN1CCN(Cc2ccc(N3CCCC3)cc2)[C@@H](C)C1 ZINC001323397420 1141849412 /nfs/dbraw/zinc/84/94/12/1141849412.db2.gz RKVDQXQJRZAWPG-DLBZAZTESA-N 0 3 317.477 2.174 20 10 DECDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@@H](OC)CC2)c([O-])c1 ZINC001249208595 1141860185 /nfs/dbraw/zinc/86/01/85/1141860185.db2.gz XSZUYNZNKAXLIE-OAHLLOKOSA-N 0 3 307.390 2.109 20 10 DECDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H](OC)CC2)c([O-])c1 ZINC001249208595 1141860189 /nfs/dbraw/zinc/86/01/89/1141860189.db2.gz XSZUYNZNKAXLIE-OAHLLOKOSA-N 0 3 307.390 2.109 20 10 DECDHN COC(=O)CC[N@H+](C)Cc1cc(C)c(Br)cc1[O-] ZINC001250134131 1142086867 /nfs/dbraw/zinc/08/68/67/1142086867.db2.gz WMAXGXDEVBDNHX-UHFFFAOYSA-N 0 3 316.195 2.458 20 10 DECDHN COC(=O)CC[N@@H+](C)Cc1cc(C)c(Br)cc1[O-] ZINC001250134131 1142086874 /nfs/dbraw/zinc/08/68/74/1142086874.db2.gz WMAXGXDEVBDNHX-UHFFFAOYSA-N 0 3 316.195 2.458 20 10 DECDHN C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)NCc1c([O-])cccc1F ZINC001339835046 1143125976 /nfs/dbraw/zinc/12/59/76/1143125976.db2.gz IXFVNHDVAGMGMO-KBPBESRZSA-N 0 3 309.385 2.203 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)c([O-])c1 ZINC001308835301 1147487871 /nfs/dbraw/zinc/48/78/71/1147487871.db2.gz JXJZZEBLMHEGQT-CYBMUJFWSA-N 0 3 314.389 2.186 20 10 DECDHN COc1cc(C)c(C[N@H+]2CC[C@@H](Nc3ncccn3)C2)c([O-])c1 ZINC001308835301 1147487873 /nfs/dbraw/zinc/48/78/73/1147487873.db2.gz JXJZZEBLMHEGQT-CYBMUJFWSA-N 0 3 314.389 2.186 20 10 DECDHN C[C@@H]1COCCCN1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001324746503 1147839305 /nfs/dbraw/zinc/83/93/05/1147839305.db2.gz MRIBIPSKYLLIEQ-OAHLLOKOSA-N 0 3 321.440 2.188 20 10 DECDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C(=O)NCC(F)(F)F ZINC001325356673 1147895600 /nfs/dbraw/zinc/89/56/00/1147895600.db2.gz KZQXTBMLGCUPLU-JGVFFNPUSA-N 0 3 308.275 2.249 20 10 DECDHN CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000092734223 185336894 /nfs/dbraw/zinc/33/68/94/185336894.db2.gz WTWZDNWGSTVFAH-CQSZACIVSA-N 0 3 306.406 2.139 20 10 DECDHN CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000092734223 185336895 /nfs/dbraw/zinc/33/68/95/185336895.db2.gz WTWZDNWGSTVFAH-CQSZACIVSA-N 0 3 306.406 2.139 20 10 DECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCOCCO)c1[O-] ZINC000186937909 301070403 /nfs/dbraw/zinc/07/04/03/301070403.db2.gz JOHOLRIKRCOVKA-SNVBAGLBSA-N 0 3 318.211 2.123 20 10 DECDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000092070740 193152465 /nfs/dbraw/zinc/15/24/65/193152465.db2.gz WDXXVBMMAUCVRE-CQSZACIVSA-N 0 3 316.405 2.295 20 10 DECDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000092070740 193152466 /nfs/dbraw/zinc/15/24/66/193152466.db2.gz WDXXVBMMAUCVRE-CQSZACIVSA-N 0 3 316.405 2.295 20 10 DECDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OC)c2[O-])[C@@]12CCCO2 ZINC000273641400 130148128 /nfs/dbraw/zinc/14/81/28/130148128.db2.gz USTRMKBBZQYVQA-UXLLHSPISA-N 0 3 307.390 2.217 20 10 DECDHN CCOC(=O)N1CC[C@@H](NCc2ccc(N(C)C)c(F)c2)C1 ZINC000274403058 130232648 /nfs/dbraw/zinc/23/26/48/130232648.db2.gz BJTTXTYDTXDRSP-CYBMUJFWSA-N 0 3 309.385 2.212 20 10 DECDHN CCN(CC)c1ccc(CNC(=O)N2CCCN(C)CC2)cc1 ZINC000298972028 132084456 /nfs/dbraw/zinc/08/44/56/132084456.db2.gz OICQSFJEWUTGIL-UHFFFAOYSA-N 0 3 318.465 2.380 20 10 DECDHN CCCCN(CC)Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000052559848 402043808 /nfs/dbraw/zinc/04/38/08/402043808.db2.gz PYEQQKJENWKTKT-UHFFFAOYSA-N 0 3 320.393 2.234 20 10 DECDHN C[C@@H](C(=O)NCCc1ccc(O)c(O)c1)N1[C@H](C)CC[C@@H]1C ZINC000122392074 402076298 /nfs/dbraw/zinc/07/62/98/402076298.db2.gz LIVHKYIIQBXOFA-XQQFMLRXSA-N 0 3 306.406 2.018 20 10 DECDHN CN(C)c1ccc(CN(C)C(=O)CN2C[C@@H]3CCC[C@H]3C2)cc1 ZINC000176265470 402295221 /nfs/dbraw/zinc/29/52/21/402295221.db2.gz PKYZMRZIFZRWOV-IRXDYDNUSA-N 0 3 315.461 2.443 20 10 DECDHN CCN1CCN(CCC[NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000185013811 402316766 /nfs/dbraw/zinc/31/67/66/402316766.db2.gz URMFOLXUGSXQAV-CQSZACIVSA-N 0 3 309.429 2.210 20 10 DECDHN CCN(CC)c1ccc(CNC(=O)[C@H]2CCCCN2)cc1F ZINC000167739563 402493660 /nfs/dbraw/zinc/49/36/60/402493660.db2.gz AJFFXJQSZDCUDJ-OAHLLOKOSA-N 0 3 307.413 2.430 20 10 DECDHN C[C@@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H]1C ZINC000248357052 402587344 /nfs/dbraw/zinc/58/73/44/402587344.db2.gz PAVCMGJZHXCCBV-CABCVRRESA-N 0 3 303.450 2.441 20 10 DECDHN CCN(CC)c1ccc(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1 ZINC000281349697 403066530 /nfs/dbraw/zinc/06/65/30/403066530.db2.gz UCIAQFWBVDXXEK-WBVHZDCISA-N 0 3 317.433 2.463 20 10 DECDHN CCN(C)c1ccc([C@H](C)NC[C@H]2CN(C)CCN2C)cc1 ZINC000268908225 403121368 /nfs/dbraw/zinc/12/13/68/403121368.db2.gz MJCZUCVQHVATSJ-YJBOKZPZSA-N 0 3 304.482 2.039 20 10 DECDHN Cc1cccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1[O-] ZINC000282980920 403164332 /nfs/dbraw/zinc/16/43/32/403164332.db2.gz JIIYOTOFKQGYHD-DOTOQJQBSA-N 0 3 305.418 2.358 20 10 DECDHN CCCCN(CC(=O)NC[C@@H]1CCCO1)Cc1ccccc1O ZINC000282479755 403155692 /nfs/dbraw/zinc/15/56/92/403155692.db2.gz OSRMCMBPJJKJNU-INIZCTEOSA-N 0 3 320.433 2.290 20 10 DECDHN CCOc1cccc(C[NH2+]CCCN2CCCO[C@H](C)C2)c1[O-] ZINC000277609763 403236479 /nfs/dbraw/zinc/23/64/79/403236479.db2.gz APCBRTXCMLVWDB-OAHLLOKOSA-N 0 3 322.449 2.381 20 10 DECDHN COc1ccc(O)c(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000289832404 404001641 /nfs/dbraw/zinc/00/16/41/404001641.db2.gz UJBXQJXMEPJZRC-WCQYABFASA-N 0 3 319.323 2.394 20 10 DECDHN CCOc1ccc([O-])c(C[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c1 ZINC000289947978 404012014 /nfs/dbraw/zinc/01/20/14/404012014.db2.gz YPWOCJLUALZNGV-GOEBONIOSA-N 0 3 320.433 2.086 20 10 DECDHN CCOc1ccc([O-])c(C[N@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c1 ZINC000289947978 404012016 /nfs/dbraw/zinc/01/20/16/404012016.db2.gz YPWOCJLUALZNGV-GOEBONIOSA-N 0 3 320.433 2.086 20 10 DECDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCCc3c2cnn3CCO)c1 ZINC000363480958 404163029 /nfs/dbraw/zinc/16/30/29/404163029.db2.gz FMJPUFHDTCVITA-HNNXBMFYSA-N 0 3 301.390 2.057 20 10 DECDHN Cc1ccc(O)c(CN[C@H]2CCCc3c2cnn3CCO)c1 ZINC000363480958 404163039 /nfs/dbraw/zinc/16/30/39/404163039.db2.gz FMJPUFHDTCVITA-HNNXBMFYSA-N 0 3 301.390 2.057 20 10 DECDHN COc1c([O-])c(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000365821540 404726728 /nfs/dbraw/zinc/72/67/28/404726728.db2.gz LGGTYWWYMGGKSK-STQMWFEESA-N 0 3 321.377 2.025 20 10 DECDHN COc1c([O-])c(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000365821540 404726730 /nfs/dbraw/zinc/72/67/30/404726730.db2.gz LGGTYWWYMGGKSK-STQMWFEESA-N 0 3 321.377 2.025 20 10 DECDHN Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2Cc2ccccc2[O-])cn1 ZINC000374889567 227141446 /nfs/dbraw/zinc/14/14/46/227141446.db2.gz CCMGKAIQFSGQKS-DOTOQJQBSA-N 0 3 301.390 2.214 20 10 DECDHN Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2Cc2ccccc2[O-])cn1 ZINC000374889567 227141450 /nfs/dbraw/zinc/14/14/50/227141450.db2.gz CCMGKAIQFSGQKS-DOTOQJQBSA-N 0 3 301.390 2.214 20 10 DECDHN CC[C@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)N(CC)CC ZINC000273153551 287500511 /nfs/dbraw/zinc/50/05/11/287500511.db2.gz IJRVKZCLCQGZFQ-GXTWGEPZSA-N 0 3 308.422 2.265 20 10 DECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@]2(N(C)C)CCSC2)c1 ZINC000273598759 277422921 /nfs/dbraw/zinc/42/29/21/277422921.db2.gz ROVAIKPSJGADPG-LRDDRELGSA-N 0 3 310.463 2.489 20 10 DECDHN COC1CCN(c2ccc(CN3CCC(O)CC3)cc2)CC1 ZINC000296259985 335142742 /nfs/dbraw/zinc/14/27/42/335142742.db2.gz GFKXFNRUPUVPSR-UHFFFAOYSA-N 0 3 304.434 2.259 20 10 DECDHN CN(C)c1ccc(/C=C/CN2CCC[C@H](OCCO)C2)cc1 ZINC000835027724 649868560 /nfs/dbraw/zinc/86/85/60/649868560.db2.gz GCAXEQWWCDXJFA-YZTRRJNXSA-N 0 3 304.434 2.239 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]CCSCCCO)c1[O-] ZINC000230934373 533952051 /nfs/dbraw/zinc/95/20/51/533952051.db2.gz BKWXLWXAXNQWDD-UHFFFAOYSA-N 0 3 305.827 2.259 20 10 DECDHN CCOCc1cc(CN[C@](C)(CCO)COC)ccc1OC ZINC000267370124 520188377 /nfs/dbraw/zinc/18/83/77/520188377.db2.gz PORXYMTXWPZQLF-QGZVFWFLSA-N 0 3 311.422 2.109 20 10 DECDHN CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC000180194055 520554352 /nfs/dbraw/zinc/55/43/52/520554352.db2.gz BZBDPQUVJDSUQD-CVEARBPZSA-N 0 3 309.381 2.283 20 10 DECDHN C[C@](O)(C[NH2+]Cc1cc2c(cc1[O-])OCO2)c1ccsc1 ZINC000124114206 525178732 /nfs/dbraw/zinc/17/87/32/525178732.db2.gz MRVRTQVVYQQCQS-HNNXBMFYSA-N 0 3 307.371 2.180 20 10 DECDHN COc1cccc(CNCc2cn(C)nc2-c2cccnc2)c1O ZINC000370893700 526027294 /nfs/dbraw/zinc/02/72/94/526027294.db2.gz WMSRYZWCUCMWJS-UHFFFAOYSA-N 0 3 324.384 2.486 20 10 DECDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)ccc2[O-])[C@@]12CCCO2 ZINC000272666869 535506571 /nfs/dbraw/zinc/50/65/71/535506571.db2.gz JFKTWQQNHNHXSR-BBWFWOEESA-N 0 3 307.390 2.217 20 10 DECDHN COc1cc(Cl)cc(CN[C@@H]2C[C@@H]3CCCCN3C2=O)c1O ZINC000835074983 649875733 /nfs/dbraw/zinc/87/57/33/649875733.db2.gz UDZTXUSPSZNCOF-QWHCGFSZSA-N 0 3 324.808 2.297 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)c1[O-] ZINC000835074983 649875735 /nfs/dbraw/zinc/87/57/35/649875735.db2.gz UDZTXUSPSZNCOF-QWHCGFSZSA-N 0 3 324.808 2.297 20 10 DECDHN COc1cc(Cl)cc(CN[C@H]2C[C@@H]3CCCCN3C2=O)c1O ZINC000835074985 649875700 /nfs/dbraw/zinc/87/57/00/649875700.db2.gz UDZTXUSPSZNCOF-STQMWFEESA-N 0 3 324.808 2.297 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)c1[O-] ZINC000835074985 649875702 /nfs/dbraw/zinc/87/57/02/649875702.db2.gz UDZTXUSPSZNCOF-STQMWFEESA-N 0 3 324.808 2.297 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CC23CC3)N(C)C)cc1 ZINC000891246268 623789914 /nfs/dbraw/zinc/78/99/14/623789914.db2.gz BPUXQDBEYCOKPD-JKSUJKDBSA-N 0 3 301.434 2.272 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)c2cc(F)c[nH]2)N(C)C)cc1 ZINC000891246206 623790329 /nfs/dbraw/zinc/79/03/29/623790329.db2.gz ACUTVAPYPOSUJA-MRXNPFEDSA-N 0 3 318.396 2.253 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)c2nccs2)N(C)C)cc1 ZINC000891249339 623793198 /nfs/dbraw/zinc/79/31/98/623793198.db2.gz RBUBGTMAUZCISH-CQSZACIVSA-N 0 3 318.446 2.242 20 10 DECDHN CCO[C@@H](CC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251155 623797355 /nfs/dbraw/zinc/79/73/55/623797355.db2.gz AENUGBGCUTXDOJ-IRXDYDNUSA-N 0 3 321.465 2.287 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)/C=C\C2CC2)N(C)C)cc1 ZINC000891254535 623800658 /nfs/dbraw/zinc/80/06/58/623800658.db2.gz ZGCNEFYRNVUNRR-UUKWBXHYSA-N 0 3 301.434 2.438 20 10 DECDHN CCOC(=O)C1CCN(Cc2ccc(OC)c(OC)c2O)CC1 ZINC000891448960 624193365 /nfs/dbraw/zinc/19/33/65/624193365.db2.gz HHMILBPQFFWTPC-UHFFFAOYSA-N 0 3 323.389 2.185 20 10 DECDHN COc1ccc(C[N@H+](C[C@@H]2CCOC2)C2CC2)c([O-])c1OC ZINC000891595999 624488986 /nfs/dbraw/zinc/48/89/86/624488986.db2.gz IALGLOBXOABVJA-LBPRGKRZSA-N 0 3 307.390 2.410 20 10 DECDHN COc1ccc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c([O-])c1OC ZINC000891595999 624488987 /nfs/dbraw/zinc/48/89/87/624488987.db2.gz IALGLOBXOABVJA-LBPRGKRZSA-N 0 3 307.390 2.410 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)NCC2CCC2)N(C)C)cc1 ZINC000892046527 624759116 /nfs/dbraw/zinc/75/91/16/624759116.db2.gz SVLUMIUZXGTNAQ-QGZVFWFLSA-N 0 3 318.465 2.455 20 10 DECDHN C[C@@H]1C[C@@H]1CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000892060379 624767041 /nfs/dbraw/zinc/76/70/41/624767041.db2.gz JMTPMDZXRYWZGE-UNEWFSDZSA-N 0 3 318.465 2.311 20 10 DECDHN COc1cccc([O-])c1C[NH2+]C[C@H](CO)Cc1ccc(F)cc1 ZINC000725846415 632928734 /nfs/dbraw/zinc/92/87/34/632928734.db2.gz IAGBWIZDXKJHLQ-CQSZACIVSA-N 0 3 319.376 2.481 20 10 DECDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000840947502 635292515 /nfs/dbraw/zinc/29/25/15/635292515.db2.gz WYOZPVGUJFADJI-ZDUSSCGKSA-N 0 3 310.463 2.116 20 10 DECDHN Cc1cc(Br)cc([C@H](C)N[C@@H]2CNOC2)c1O ZINC000925862680 635964446 /nfs/dbraw/zinc/96/44/46/635964446.db2.gz XNVSVJPGDLZGEW-WCBMZHEXSA-N 0 3 301.184 2.017 20 10 DECDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CNOC2)c1[O-] ZINC000925862680 635964450 /nfs/dbraw/zinc/96/44/50/635964450.db2.gz XNVSVJPGDLZGEW-WCBMZHEXSA-N 0 3 301.184 2.017 20 10 DECDHN CCOc1ccc(C[N@H+](C)C(C)(C)CN2CCOCC2)c([O-])c1 ZINC000840979142 636014810 /nfs/dbraw/zinc/01/48/10/636014810.db2.gz ZDMHUWSPVHPMCH-UHFFFAOYSA-N 0 3 322.449 2.334 20 10 DECDHN CCOc1ccc(C[N@@H+](C)C(C)(C)CN2CCOCC2)c([O-])c1 ZINC000840979142 636014811 /nfs/dbraw/zinc/01/48/11/636014811.db2.gz ZDMHUWSPVHPMCH-UHFFFAOYSA-N 0 3 322.449 2.334 20 10 DECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCC2(CCOCC2)O1 ZINC000922807870 636420945 /nfs/dbraw/zinc/42/09/45/636420945.db2.gz FIURWTQXWYGOHF-ZDUSSCGKSA-N 0 3 307.390 2.219 20 10 DECDHN CCOc1ccc(C[NH2+]C[C@@H]2CCN2C2CCOCC2)c([O-])c1 ZINC000922950755 636879822 /nfs/dbraw/zinc/87/98/22/636879822.db2.gz PIHSUFVBXUHWMS-INIZCTEOSA-N 0 3 320.433 2.134 20 10 DECDHN COc1ccc([C@@H](CO)C[NH2+]Cc2c([O-])cccc2OC)cc1 ZINC000839183677 637812861 /nfs/dbraw/zinc/81/28/61/637812861.db2.gz AEQPBEVMIUSLKF-CQSZACIVSA-N 0 3 317.385 2.275 20 10 DECDHN C[C@H]1CC[C@H](C)N(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000839499777 637897396 /nfs/dbraw/zinc/89/73/96/637897396.db2.gz TXXACQNOCGOMIQ-GJZGRUSLSA-N 0 3 303.450 2.489 20 10 DECDHN COc1cc(CN[C@@H]2C(=O)NCC2(C)C)c(O)c(C(C)(C)C)c1 ZINC000895320679 637925088 /nfs/dbraw/zinc/92/50/88/637925088.db2.gz IHJMJLZXADHPNM-OAHLLOKOSA-N 0 3 320.433 2.313 20 10 DECDHN CN(C)c1ccc(CNCc2ccc(CC(N)=O)cc2)cc1F ZINC000727468687 637960423 /nfs/dbraw/zinc/96/04/23/637960423.db2.gz MDKUAJXIXYSUPP-UHFFFAOYSA-N 0 3 315.392 2.209 20 10 DECDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000840934626 650389110 /nfs/dbraw/zinc/38/91/10/650389110.db2.gz SWSYBEMXWSOTML-FRFSOERESA-N 0 3 301.434 2.160 20 10 DECDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccccc1[O-] ZINC000742374496 638066009 /nfs/dbraw/zinc/06/60/09/638066009.db2.gz RSLQMVXRCNQFPE-KRWDZBQOSA-N 0 3 323.396 2.320 20 10 DECDHN CCN(CC)c1ccc(CN[C@@H]2CCCN(C)C2=O)cc1F ZINC000748241916 638534668 /nfs/dbraw/zinc/53/46/68/638534668.db2.gz GRKMRLUSXBDQAY-OAHLLOKOSA-N 0 3 307.413 2.382 20 10 DECDHN CCOc1ccc(C[NH2+]CCCNc2ncccn2)c([O-])c1 ZINC000751504756 639087886 /nfs/dbraw/zinc/08/78/86/639087886.db2.gz CRADVGRAZQHFEM-UHFFFAOYSA-N 0 3 302.378 2.173 20 10 DECDHN C[C@@H](NC[C@H]1CCCCS1(=O)=O)c1ccc(N(C)C)cc1 ZINC000753729077 639335981 /nfs/dbraw/zinc/33/59/81/639335981.db2.gz DZGFDPLCGXFFEC-CZUORRHYSA-N 0 3 310.463 2.371 20 10 DECDHN C[C@H](C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)S(C)(=O)=O ZINC000756768955 639693062 /nfs/dbraw/zinc/69/30/62/639693062.db2.gz BQFXEAQLXVWFTK-KKZNHRDASA-N 0 3 301.383 2.102 20 10 DECDHN [O-]c1ccc2ccncc2c1C[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000756864329 639706288 /nfs/dbraw/zinc/70/62/88/639706288.db2.gz XKGKMGUZGKCBTL-MSOLQXFVSA-N 0 3 314.385 2.320 20 10 DECDHN [O-]c1ccc2ccncc2c1C[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000756864329 639706295 /nfs/dbraw/zinc/70/62/95/639706295.db2.gz XKGKMGUZGKCBTL-MSOLQXFVSA-N 0 3 314.385 2.320 20 10 DECDHN C[C@@H]1CC(C)(C)CN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839660556 639783714 /nfs/dbraw/zinc/78/37/14/639783714.db2.gz MOLSUPWSOSVXQX-CQSZACIVSA-N 0 3 303.450 2.489 20 10 DECDHN COc1cc(Cl)cc(CN2CCC(OCCO)CC2)c1O ZINC000761206315 640284798 /nfs/dbraw/zinc/28/47/98/640284798.db2.gz WAJLXTSEJQOJQX-UHFFFAOYSA-N 0 3 315.797 2.028 20 10 DECDHN C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])N1CCN(C)CC1 ZINC000841746658 640492932 /nfs/dbraw/zinc/49/29/32/640492932.db2.gz JVNCUTNDKVIFQM-OLZOCXBDSA-N 0 3 311.857 2.332 20 10 DECDHN [O-]c1cc2c(cc1C[NH+]1CCC(OCC3CC3)CC1)[C@@H](O)CO2 ZINC000768464776 641084833 /nfs/dbraw/zinc/08/48/33/641084833.db2.gz ACKMRTBSYJZUKW-KRWDZBQOSA-N 0 3 319.401 2.209 20 10 DECDHN CO[C@]1(C)C[C@@H]([N@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)C1(C)C ZINC000768465782 641085048 /nfs/dbraw/zinc/08/50/48/641085048.db2.gz LDXJKVSHYBJCAR-YXJHDRRASA-N 0 3 321.417 2.453 20 10 DECDHN CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)C1(C)C ZINC000768465782 641085054 /nfs/dbraw/zinc/08/50/54/641085054.db2.gz LDXJKVSHYBJCAR-YXJHDRRASA-N 0 3 321.417 2.453 20 10 DECDHN CCN(CC)C(=O)C1CC[NH+](Cc2c([O-])cccc2OC)CC1 ZINC000769147371 641185555 /nfs/dbraw/zinc/18/55/55/641185555.db2.gz PBFGDWHPZSUNNI-UHFFFAOYSA-N 0 3 320.433 2.481 20 10 DECDHN O=[N+]([O-])c1cc(CN2CC[C@H](CO)C2)ccc1N1CCCCC1 ZINC000769236499 641200505 /nfs/dbraw/zinc/20/05/05/641200505.db2.gz AXRRBOIEKZCWQI-HNNXBMFYSA-N 0 3 319.405 2.399 20 10 DECDHN COc1cccc(O)c1CN1CCC[C@@H](N2CCCCC2=O)C1 ZINC000769339404 641221527 /nfs/dbraw/zinc/22/15/27/641221527.db2.gz WZOAPOFQWNFLJJ-CQSZACIVSA-N 0 3 318.417 2.378 20 10 DECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000769339404 641221534 /nfs/dbraw/zinc/22/15/34/641221534.db2.gz WZOAPOFQWNFLJJ-CQSZACIVSA-N 0 3 318.417 2.378 20 10 DECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000769339404 641221536 /nfs/dbraw/zinc/22/15/36/641221536.db2.gz WZOAPOFQWNFLJJ-CQSZACIVSA-N 0 3 318.417 2.378 20 10 DECDHN CN1CCN(c2ccc(CNCc3cscn3)cc2)CC1 ZINC000771819731 641554757 /nfs/dbraw/zinc/55/47/57/641554757.db2.gz VFSYWTCXKIBGSL-UHFFFAOYSA-N 0 3 302.447 2.185 20 10 DECDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ncccn1 ZINC000774487281 641910193 /nfs/dbraw/zinc/91/01/93/641910193.db2.gz YPDWSBVWWWVCGQ-QWHCGFSZSA-N 0 3 313.405 2.220 20 10 DECDHN CS(=O)(=O)[C@H]1CCCC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000775382368 642036064 /nfs/dbraw/zinc/03/60/64/642036064.db2.gz VVMRTKOQZXBJHU-ZBFHGGJFSA-N 0 3 309.431 2.067 20 10 DECDHN COc1cc(Br)cc(C[NH2+]CCC(C)(C)O)c1[O-] ZINC000775370223 642036570 /nfs/dbraw/zinc/03/65/70/642036570.db2.gz MDIYVAIUTDDHJF-UHFFFAOYSA-N 0 3 318.211 2.414 20 10 DECDHN CC[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CCO1 ZINC000775648768 642072037 /nfs/dbraw/zinc/07/20/37/642072037.db2.gz WVPLVLDLLPXIMN-SFHVURJKSA-N 0 3 303.450 2.049 20 10 DECDHN C[C@@H](NCC(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000775833802 642103218 /nfs/dbraw/zinc/10/32/18/642103218.db2.gz MTXWUNDJHRVZDZ-RBSFLKMASA-N 0 3 319.449 2.039 20 10 DECDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1[O-] ZINC000776221907 642145514 /nfs/dbraw/zinc/14/55/14/642145514.db2.gz XEPKJNAAFBNFDI-CUOATXAZSA-N 0 3 308.809 2.453 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=S)NCC2CC2)N(C)C)cc1 ZINC000899723911 642149504 /nfs/dbraw/zinc/14/95/04/642149504.db2.gz FXGLJCHTPHJPEN-INIZCTEOSA-N 0 3 320.506 2.229 20 10 DECDHN CC[C@H]([NH2+][C@@H]1CCOC[C@@H]1OCCOC)c1ccccc1[O-] ZINC000776866667 642214062 /nfs/dbraw/zinc/21/40/62/642214062.db2.gz GKNAXSHHHUREIU-UXLLHSPISA-N 0 3 309.406 2.253 20 10 DECDHN C[C@H](CCO)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000779339207 642489034 /nfs/dbraw/zinc/48/90/34/642489034.db2.gz AINJLLTXNJXJMM-DOMZBBRYSA-N 0 3 312.841 2.371 20 10 DECDHN C[C@@H]1CC2(C[N@@H+]1Cc1cc3c(cc1[O-])OC[C@@H]3O)CCOCC2 ZINC000842637743 650791446 /nfs/dbraw/zinc/79/14/46/650791446.db2.gz DQTPEABOKGXTLB-WBMJQRKESA-N 0 3 319.401 2.209 20 10 DECDHN C[C@@H]1CC2(C[N@H+]1Cc1cc3c(cc1[O-])OC[C@@H]3O)CCOCC2 ZINC000842637743 650791448 /nfs/dbraw/zinc/79/14/48/650791448.db2.gz DQTPEABOKGXTLB-WBMJQRKESA-N 0 3 319.401 2.209 20 10 DECDHN C[C@H]1C[C@H](NCc2cc(F)c(N3CCOCC3)c(F)c2)CO1 ZINC000842711141 650809190 /nfs/dbraw/zinc/80/91/90/650809190.db2.gz ZJGVPUDTXCJDDO-AAEUAGOBSA-N 0 3 312.360 2.068 20 10 DECDHN CCOc1ccc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)c([O-])c1 ZINC000842721200 650811237 /nfs/dbraw/zinc/81/12/37/650811237.db2.gz QMRGSVXIJPPZND-CQSZACIVSA-N 0 3 306.406 2.280 20 10 DECDHN CCOCc1cc(CN[C@H](C(=O)NC)C(C)C)ccc1OC ZINC000785582815 643251547 /nfs/dbraw/zinc/25/15/47/643251547.db2.gz GYMAUTDPFKUDGV-INIZCTEOSA-N 0 3 308.422 2.092 20 10 DECDHN COc1cccc([O-])c1C[NH2+][C@@H](CO)Cc1ccccc1C ZINC000786160901 643332765 /nfs/dbraw/zinc/33/27/65/643332765.db2.gz LYKFPKZFRGJDSO-OAHLLOKOSA-N 0 3 301.386 2.402 20 10 DECDHN CC[C@@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)c1ccc(C)cc1[O-] ZINC000903428730 643346959 /nfs/dbraw/zinc/34/69/59/643346959.db2.gz LISJGXBJZMDSHS-CQSZACIVSA-N 0 3 317.389 2.094 20 10 DECDHN [O-]c1c(Br)cccc1CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904421104 643669558 /nfs/dbraw/zinc/66/95/58/643669558.db2.gz OROIWRQVXSBBPT-CMPLNLGQSA-N 0 3 311.223 2.196 20 10 DECDHN COc1ccc(CNCc2cnc(N3CCCC3)nc2)c(O)c1 ZINC000793386057 644243627 /nfs/dbraw/zinc/24/36/27/644243627.db2.gz IKKMEYRPODDXGA-UHFFFAOYSA-N 0 3 314.389 2.081 20 10 DECDHN COc1ccc(C[NH2+]Cc2cnc(N3CCCC3)nc2)c([O-])c1 ZINC000793386057 644243632 /nfs/dbraw/zinc/24/36/32/644243632.db2.gz IKKMEYRPODDXGA-UHFFFAOYSA-N 0 3 314.389 2.081 20 10 DECDHN COc1ccc(CNC(=O)[C@@H](C)N2CCCCCC2)c(O)c1 ZINC000794378331 644405729 /nfs/dbraw/zinc/40/57/29/644405729.db2.gz VAEJNJZWEGPPRC-CYBMUJFWSA-N 0 3 306.406 2.282 20 10 DECDHN C[C@@H]1C[C@H]([NH2+]C[C@H](CO)[C@@H]2CCOC2)c2c1c(F)ccc2[O-] ZINC000795834413 644644878 /nfs/dbraw/zinc/64/48/78/644644878.db2.gz VAWCJUHCUJBRET-BYNQJWBRSA-N 0 3 309.381 2.314 20 10 DECDHN COc1ccc(N2CC[C@H](CNC(=O)[C@@H](N)C(C)(C)C)C2)cc1 ZINC000843507683 650987049 /nfs/dbraw/zinc/98/70/49/650987049.db2.gz QWNMCVHNCKVHMD-CZUORRHYSA-N 0 3 319.449 2.011 20 10 DECDHN COc1cccc(O)c1CN1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000809697822 646266127 /nfs/dbraw/zinc/26/61/27/646266127.db2.gz PBAVMUWQNBVHLI-PWSUYJOCSA-N 0 3 319.323 2.394 20 10 DECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000809697822 646266131 /nfs/dbraw/zinc/26/61/31/646266131.db2.gz PBAVMUWQNBVHLI-PWSUYJOCSA-N 0 3 319.323 2.394 20 10 DECDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000809697822 646266136 /nfs/dbraw/zinc/26/61/36/646266136.db2.gz PBAVMUWQNBVHLI-PWSUYJOCSA-N 0 3 319.323 2.394 20 10 DECDHN COC(=O)c1cccc(CNCc2c(O)cccc2OC)c1 ZINC000809729375 646269939 /nfs/dbraw/zinc/26/99/39/646269939.db2.gz GBTHBPXBNFLSFC-UHFFFAOYSA-N 0 3 301.342 2.477 20 10 DECDHN CCOc1ccc(C[NH2+][C@H](CC(N)=O)c2ccccc2)c([O-])c1 ZINC000815153179 646980740 /nfs/dbraw/zinc/98/07/40/646980740.db2.gz DDSSVHAYGRRTFT-MRXNPFEDSA-N 0 3 314.385 2.497 20 10 DECDHN CCOc1ccc(C[NH+]2CCC(OC(=O)N(C)C)CC2)c([O-])c1 ZINC000816654411 647163531 /nfs/dbraw/zinc/16/35/31/647163531.db2.gz GWEPWKMBNIXRML-UHFFFAOYSA-N 0 3 322.405 2.454 20 10 DECDHN C[C@H]1CCN(CC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000816910948 647196652 /nfs/dbraw/zinc/19/66/52/647196652.db2.gz XISJXVKMWKSOMU-AWEZNQCLSA-N 0 3 301.434 2.027 20 10 DECDHN COc1ccc(N2CC[C@H](CNCc3ccc(C)nn3)C2)cc1 ZINC000818219185 647434966 /nfs/dbraw/zinc/43/49/66/647434966.db2.gz ABOZARQIGISTSF-OAHLLOKOSA-N 0 3 312.417 2.410 20 10 DECDHN C[C@H](NC(=O)NCc1c([O-])cccc1F)C(C)(C)C[NH+](C)C ZINC000921388531 648303505 /nfs/dbraw/zinc/30/35/05/648303505.db2.gz KMENZJVHQIBXDT-NSHDSACASA-N 0 3 311.401 2.307 20 10 DECDHN C[C@@H](NC(=O)NCc1c([O-])cccc1F)C(C)(C)C[NH+](C)C ZINC000921388530 648303516 /nfs/dbraw/zinc/30/35/16/648303516.db2.gz KMENZJVHQIBXDT-LLVKDONJSA-N 0 3 311.401 2.307 20 10 DECDHN CCOc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c([O-])c1 ZINC000824655184 648630759 /nfs/dbraw/zinc/63/07/59/648630759.db2.gz UQICWWXTCICYJJ-INMHGKMJSA-N 0 3 321.417 2.153 20 10 DECDHN CCOc1ccc(C[N@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c([O-])c1 ZINC000824655184 648630760 /nfs/dbraw/zinc/63/07/60/648630760.db2.gz UQICWWXTCICYJJ-INMHGKMJSA-N 0 3 321.417 2.153 20 10 DECDHN CN(C)c1ccc(CN2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000825124122 648706298 /nfs/dbraw/zinc/70/62/98/648706298.db2.gz IDDOQIPOUWWFNE-GXTWGEPZSA-N 0 3 302.340 2.498 20 10 DECDHN CC[C@@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])C(=O)NC ZINC000825315508 648740691 /nfs/dbraw/zinc/74/06/91/648740691.db2.gz CMXHXAGKJVLNLS-LLVKDONJSA-N 0 3 315.211 2.077 20 10 DECDHN CO[C@]1(CO)CCCN(C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000826952861 648952282 /nfs/dbraw/zinc/95/22/82/648952282.db2.gz VJMDQVIEJRJLSW-WLPBJKJWSA-N 0 3 304.434 2.239 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]C[C@](C)(O)CSC)c1[O-] ZINC000184709215 649352765 /nfs/dbraw/zinc/35/27/65/649352765.db2.gz ABCQYELOCPHZDZ-ZDUSSCGKSA-N 0 3 305.827 2.258 20 10 DECDHN Cc1cc(CN2CCC[C@H](NC(=O)N(C)C)C2)ccc1N(C)C ZINC000832549757 649723730 /nfs/dbraw/zinc/72/37/30/649723730.db2.gz DPFIWVHKCMEFDD-INIZCTEOSA-N 0 3 318.465 2.297 20 10 DECDHN [O-]c1cc2c(cc1C[NH2+][C@H](C1CC1)C1CCOCC1)OCO2 ZINC000846043392 651304036 /nfs/dbraw/zinc/30/40/36/651304036.db2.gz YYJRQAADTWACSY-QGZVFWFLSA-N 0 3 305.374 2.416 20 10 DECDHN [NH3+]C[C@H](NCc1cc(Br)ccc1[O-])C(F)(F)F ZINC000848716378 651496270 /nfs/dbraw/zinc/49/62/70/651496270.db2.gz XNRQCPAKJMTFIU-VIFPVBQESA-N 0 3 313.117 2.134 20 10 DECDHN COc1cc(Br)cc([C@@H](C)[NH2+]C/C=C/CO)c1[O-] ZINC000850508443 651941768 /nfs/dbraw/zinc/94/17/68/651941768.db2.gz MQYGMEVCRVUROR-CDAZIORVSA-N 0 3 316.195 2.362 20 10 DECDHN C[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1ccccc1[O-] ZINC000111235384 652534933 /nfs/dbraw/zinc/53/49/33/652534933.db2.gz AYKCWSYSDIWVOK-UHFFFAOYSA-N 0 3 310.353 2.120 20 10 DECDHN C[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1ccccc1[O-] ZINC000111235384 652534936 /nfs/dbraw/zinc/53/49/36/652534936.db2.gz AYKCWSYSDIWVOK-UHFFFAOYSA-N 0 3 310.353 2.120 20 10 DECDHN [O-]c1cc2c(cc1C[NH+]1CCC(c3ccon3)CC1)[C@H](O)CO2 ZINC000853591152 652575217 /nfs/dbraw/zinc/57/52/17/652575217.db2.gz XJUFRTVNUHJNOM-MRXNPFEDSA-N 0 3 316.357 2.186 20 10 DECDHN Cc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC000038635159 683887986 /nfs/dbraw/zinc/88/79/86/683887986.db2.gz BGZZEWQVIMFWAX-MRXNPFEDSA-N 0 3 316.405 2.082 20 10 DECDHN CC(C)CN(CCN(C)C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000043862643 683902017 /nfs/dbraw/zinc/90/20/17/683902017.db2.gz UNTSIEDINKNHSS-UHFFFAOYSA-N 0 3 320.481 2.482 20 10 DECDHN O=S1(=O)CCC[C@H]1CNCc1ccc(N2CCCCC2)cc1 ZINC000126950796 684159092 /nfs/dbraw/zinc/15/90/92/684159092.db2.gz QHDXTHDSSLACGR-KRWDZBQOSA-N 0 3 322.474 2.344 20 10 DECDHN CC[NH+](CC)CCSCC(=O)NCc1c([O-])cccc1F ZINC000928706110 693830166 /nfs/dbraw/zinc/83/01/66/693830166.db2.gz QMFOQZQLYARXHR-UHFFFAOYSA-N 0 3 314.426 2.223 20 10 DECDHN [O-]c1ccc2ccccc2c1C[NH+]1CCN(c2nccnn2)CC1 ZINC000862437228 686302420 /nfs/dbraw/zinc/30/24/20/686302420.db2.gz PSUAOQWMHHCVKK-UHFFFAOYSA-N 0 3 321.384 2.053 20 10 DECDHN COC(=O)[C@@]1(OC)CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000862474348 686306235 /nfs/dbraw/zinc/30/62/35/686306235.db2.gz PLZQMRIDSYSLNG-GOSISDBHSA-N 0 3 315.369 2.309 20 10 DECDHN COC(=O)[C@@]1(OC)CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000862474348 686306242 /nfs/dbraw/zinc/30/62/42/686306242.db2.gz PLZQMRIDSYSLNG-GOSISDBHSA-N 0 3 315.369 2.309 20 10 DECDHN COC(=O)c1ccc([O-])c([C@H](C)N[C@H]2CC[NH2+]C23CCC3)c1 ZINC000863541238 686518463 /nfs/dbraw/zinc/51/84/63/686518463.db2.gz HPOMYOHJHQIZCN-NHYWBVRUSA-N 0 3 304.390 2.114 20 10 DECDHN COCC[C@@H](C[NH2+]Cc1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000865443043 687213664 /nfs/dbraw/zinc/21/36/64/687213664.db2.gz WLNXRWNEBLGRKQ-AWEZNQCLSA-N 0 3 324.421 2.412 20 10 DECDHN CC[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccc(C)cc1[O-] ZINC000866571203 687612673 /nfs/dbraw/zinc/61/26/73/687612673.db2.gz AQAPHKLVIRRGHM-CYBMUJFWSA-N 0 3 314.451 2.056 20 10 DECDHN CCO[C@@H]1C[C@@](N)(C(=O)N[C@@H](C)c2ccccc2O)C1(C)C ZINC000870988719 688704852 /nfs/dbraw/zinc/70/48/52/688704852.db2.gz XUJGFGZDDDFKJU-FABXCBLPSA-N 0 3 306.406 2.102 20 10 DECDHN CN(C)c1ccc(CNC(=O)N2CC[C@@H]3[C@H]2CCCN3C)cc1 ZINC000871763491 688862283 /nfs/dbraw/zinc/86/22/83/688862283.db2.gz JAZKESOMELSURJ-IAGOWNOFSA-N 0 3 316.449 2.131 20 10 DECDHN CCCOc1ccc(CNC[C@H]2CCCS2(=O)=O)cc1C ZINC000873080011 689155733 /nfs/dbraw/zinc/15/57/33/689155733.db2.gz JHRFLGDVCSDMCA-OAHLLOKOSA-N 0 3 311.447 2.451 20 10 DECDHN COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876632137 689883174 /nfs/dbraw/zinc/88/31/74/689883174.db2.gz HOEHKWYUXSETPH-GOEBONIOSA-N 0 3 320.433 2.064 20 10 DECDHN COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876632137 689883177 /nfs/dbraw/zinc/88/31/77/689883177.db2.gz HOEHKWYUXSETPH-GOEBONIOSA-N 0 3 320.433 2.064 20 10 DECDHN COC(=O)CC[N@@H+](Cc1ccc(C)cc1[O-])C[C@H]1CCCO1 ZINC000876744099 689924459 /nfs/dbraw/zinc/92/44/59/689924459.db2.gz OOEJZGVGQHDERY-OAHLLOKOSA-N 0 3 307.390 2.245 20 10 DECDHN COC(=O)CC[N@H+](Cc1ccc(C)cc1[O-])C[C@H]1CCCO1 ZINC000876744099 689924461 /nfs/dbraw/zinc/92/44/61/689924461.db2.gz OOEJZGVGQHDERY-OAHLLOKOSA-N 0 3 307.390 2.245 20 10 DECDHN COC(=O)c1[nH]c(C[NH2+]Cc2ccc(OC)cc2[O-])cc1C ZINC000877493266 690130466 /nfs/dbraw/zinc/13/04/66/690130466.db2.gz JANRUJRWHJTRRA-UHFFFAOYSA-N 0 3 304.346 2.114 20 10 DECDHN CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000877501006 690132889 /nfs/dbraw/zinc/13/28/89/690132889.db2.gz KUUIERXYCFVJLA-SFHVURJKSA-N 0 3 321.417 2.492 20 10 DECDHN CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000877501006 690132895 /nfs/dbraw/zinc/13/28/95/690132895.db2.gz KUUIERXYCFVJLA-SFHVURJKSA-N 0 3 321.417 2.492 20 10 DECDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000877505813 690134203 /nfs/dbraw/zinc/13/42/03/690134203.db2.gz ZOLDGGWBVGWIHY-RHSMWYFYSA-N 0 3 305.418 2.358 20 10 DECDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCO[C@@H](c2nccn2C)C1 ZINC000877576723 690156916 /nfs/dbraw/zinc/15/69/16/690156916.db2.gz OTLKSWUYIJZKDY-XJKSGUPXSA-N 0 3 301.390 2.444 20 10 DECDHN NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCN2CC2CC2)cc1 ZINC001039061745 691006864 /nfs/dbraw/zinc/00/68/64/691006864.db2.gz TYUIBULKOMKCGC-AWEZNQCLSA-N 0 3 315.377 2.063 20 10 DECDHN Cc1cc(NCc2ccc(N3CCN(C)CC3)cc2)nc(C)n1 ZINC000882880309 691377568 /nfs/dbraw/zinc/37/75/68/691377568.db2.gz MATGFZQXCMNFGP-UHFFFAOYSA-N 0 3 311.433 2.457 20 10 DECDHN C[C@@H]([NH2+]CC(C)(C)N1CCN(C)CC1)c1c([O-])cccc1F ZINC000886500207 692094345 /nfs/dbraw/zinc/09/43/45/692094345.db2.gz KWOPMQKZPYIIIL-CYBMUJFWSA-N 0 3 309.429 2.208 20 10 DECDHN CC(C)(C)CCN1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001442072699 1182308444 /nfs/dbraw/zinc/30/84/44/1182308444.db2.gz UJIVSYLXDCWWTM-UHFFFAOYSA-N 0 3 320.433 2.221 20 10 DECDHN COC(=O)CC[N@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC001233111829 782215730 /nfs/dbraw/zinc/21/57/30/782215730.db2.gz ZXZLRXSBBGLCIU-UHFFFAOYSA-N 0 3 316.195 2.458 20 10 DECDHN COC(=O)CC[N@@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC001233111829 782215737 /nfs/dbraw/zinc/21/57/37/782215737.db2.gz ZXZLRXSBBGLCIU-UHFFFAOYSA-N 0 3 316.195 2.458 20 10 DECDHN C[C@@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1cc(F)ccc1[O-] ZINC000694605540 777893784 /nfs/dbraw/zinc/89/37/84/777893784.db2.gz YMJVQGHHDSAHKD-ZYHUDNBSSA-N 0 3 301.383 2.149 20 10 DECDHN Cc1c2ccccc2n(C)c1CN[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC001179433421 795113775 /nfs/dbraw/zinc/11/37/75/795113775.db2.gz POPIUDTZCMCEKN-JOCQHMNTSA-N 0 3 306.431 2.152 20 10 DECDHN COC(=O)N[C@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001119440727 795301708 /nfs/dbraw/zinc/30/17/08/795301708.db2.gz UCPQZDRAOZWIQQ-HNNXBMFYSA-N 0 3 303.406 2.217 20 10 DECDHN Cc1cc(CN2C[C@H](F)C[C@H]([NH3+])C2)c([O-])cc1Br ZINC001206454400 795482322 /nfs/dbraw/zinc/48/23/22/795482322.db2.gz DPVXIINBNYKURL-MNOVXSKESA-N 0 3 317.202 2.334 20 10 DECDHN CCOC(=O)[C@H]1[C@@H]2CN(Cc3ccc4c(c3)CCCN4C)C[C@@H]21 ZINC001138356650 796204579 /nfs/dbraw/zinc/20/45/79/796204579.db2.gz ULSOUKYRKLXJJB-VQFNDLOPSA-N 0 3 314.429 2.310 20 10 DECDHN COc1cc(CN2CCCC[C@H]2C(C)=O)cc(CN(C)C)c1O ZINC001139259359 796351315 /nfs/dbraw/zinc/35/13/15/796351315.db2.gz SPRZYOCSHNYSAB-INIZCTEOSA-N 0 3 320.433 2.406 20 10 DECDHN Cc1ccnc(O[C@H]2CC[N@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC001140056364 796470744 /nfs/dbraw/zinc/47/07/44/796470744.db2.gz SUMOYRFPAWVSBR-AWEZNQCLSA-N 0 3 303.337 2.283 20 10 DECDHN Cc1ccnc(O[C@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC001140056364 796470745 /nfs/dbraw/zinc/47/07/45/796470745.db2.gz SUMOYRFPAWVSBR-AWEZNQCLSA-N 0 3 303.337 2.283 20 10 DECDHN CC[N@@H+]1CCO[C@@H]2CN(Cc3ccc(Cl)cc3[O-])C[C@@H]2C1 ZINC001140465933 796525873 /nfs/dbraw/zinc/52/58/73/796525873.db2.gz WPINEJHURPBOIT-XJKSGUPXSA-N 0 3 310.825 2.198 20 10 DECDHN CC[N@H+]1CCO[C@@H]2CN(Cc3ccc(Cl)cc3[O-])C[C@@H]2C1 ZINC001140465933 796525879 /nfs/dbraw/zinc/52/58/79/796525879.db2.gz WPINEJHURPBOIT-XJKSGUPXSA-N 0 3 310.825 2.198 20 10 DECDHN C[NH+](C)CCCN1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140465353 796526126 /nfs/dbraw/zinc/52/61/26/796526126.db2.gz KDXXXVSARJAAOY-UHFFFAOYSA-N 0 3 311.857 2.115 20 10 DECDHN COc1cccc(N2CCN(Cc3ccc(C)cc3O)CC2)n1 ZINC001140957634 796607811 /nfs/dbraw/zinc/60/78/11/796607811.db2.gz GIFWNJHOXICLEW-UHFFFAOYSA-N 0 3 313.401 2.426 20 10 DECDHN Cc1nccnc1O[C@@H]1CCCN(Cc2cc(O)ccc2O)C1 ZINC001141163205 796643801 /nfs/dbraw/zinc/64/38/01/796643801.db2.gz UWNKYINDSPOEEJ-OAHLLOKOSA-N 0 3 315.373 2.240 20 10 DECDHN COc1cc(C)c(C[NH2+]C[C@H](O)Cc2ccccc2)c([O-])c1 ZINC001205734448 800410294 /nfs/dbraw/zinc/41/02/94/800410294.db2.gz CGVMYFVRASRTHB-OAHLLOKOSA-N 0 3 301.386 2.402 20 10 DECDHN CCOC(=O)[C@@H]1CNCCN1Cc1cc(C(C)(C)C)ccc1O ZINC001211362997 801554330 /nfs/dbraw/zinc/55/43/30/801554330.db2.gz ZFORBVCFPRMLAD-HNNXBMFYSA-N 0 3 320.433 2.027 20 10 DECDHN COC(=O)C1(O)CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC001231589400 801690547 /nfs/dbraw/zinc/69/05/47/801690547.db2.gz HOJKDYPGWNTYOS-UHFFFAOYSA-N 0 3 315.369 2.045 20 10 DECDHN CCCCCN1CCN(Cc2cc(OC)c(O)cc2O)CC1 ZINC001231635735 801700624 /nfs/dbraw/zinc/70/06/24/801700624.db2.gz JBPOFUJSVONNMQ-UHFFFAOYSA-N 0 3 308.422 2.414 20 10 DECDHN COc1cc(N(C)C)ccc1CN1CCC(N2CC(F)C2)CC1 ZINC001231852987 801737187 /nfs/dbraw/zinc/73/71/87/801737187.db2.gz CWBLVCBCLXZXEQ-UHFFFAOYSA-N 0 3 321.440 2.379 20 10 DECDHN C[C@@H]1[C@H](CO)CCN1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232195828 801815206 /nfs/dbraw/zinc/81/52/06/801815206.db2.gz ZBKUTBMVSRVLOD-HIFRSBDPSA-N 0 3 324.852 2.379 20 10 DECDHN Oc1cc(O)c(CN2CCC[C@H](Oc3cccnc3)C2)cc1O ZINC001233484896 802126703 /nfs/dbraw/zinc/12/67/03/802126703.db2.gz BLQANROMBPFPRZ-AWEZNQCLSA-N 0 3 316.357 2.242 20 10 DECDHN CN1CCN(Cc2cc(O)c(O)cc2O)C[C@@H]1c1ccccc1 ZINC001233485416 802127034 /nfs/dbraw/zinc/12/70/34/802127034.db2.gz VASLJLOOIAZBRE-OAHLLOKOSA-N 0 3 314.385 2.292 20 10 DECDHN O=C1c2cccc(O[C@H]3CCC[NH2+]C3)c2C(=O)c2cccc([O-])c21 ZINC001218284227 802163478 /nfs/dbraw/zinc/16/34/78/802163478.db2.gz SFZYJDCADBQZIQ-NSHDSACASA-N 0 3 323.348 2.298 20 10 DECDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@H]3C=CC[NH2+]C3)cccc21 ZINC001218330181 802168866 /nfs/dbraw/zinc/16/88/66/802168866.db2.gz CHMXYYGXEIYHLH-NSHDSACASA-N 0 3 321.332 2.074 20 10 DECDHN CC(C)N1CCC[C@@H](Oc2nc[nH]c3cc(=O)c(O)cc2-3)C1 ZINC001233948373 802249654 /nfs/dbraw/zinc/24/96/54/802249654.db2.gz GHZLBYMNZDJUMZ-LLVKDONJSA-N 0 3 303.362 2.293 20 10 DECDHN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CCCCN2C)c1 ZINC001345393095 1150886905 /nfs/dbraw/zinc/88/69/05/1150886905.db2.gz RXSZRXQCWWNCBU-CHWSQXEVSA-N 0 3 321.421 2.245 20 10 DECDHN COc1ccc(CNC/C=C\CNC(=O)[C@H]2C[C@@H]2C)cc1C ZINC001497650166 1066210227 /nfs/dbraw/zinc/21/02/27/1066210227.db2.gz JTMPAMZOYXQTSQ-SCVPAZLYSA-N 0 3 302.418 2.422 20 10 DECDHN CC[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@@H](CC)CN1 ZINC001573717702 1069077769 /nfs/dbraw/zinc/07/77/69/1069077769.db2.gz HAPJPLOAAQVHHJ-APMKWMSLSA-N 0 3 304.390 2.100 20 10 DECDHN CCC[N@H+](Cc1cccc(-c2nnn[n-]2)n1)Cc1ccccc1O ZINC001590632099 1076662493 /nfs/dbraw/zinc/66/24/93/1076662493.db2.gz GXVFSDWHSMIFIH-UHFFFAOYSA-N 0 3 324.388 2.380 20 10 DECDHN CCC[N@@H+](Cc1cccc(-c2nnn[n-]2)n1)Cc1ccccc1O ZINC001590632099 1076662497 /nfs/dbraw/zinc/66/24/97/1076662497.db2.gz GXVFSDWHSMIFIH-UHFFFAOYSA-N 0 3 324.388 2.380 20 10 DECDHN C[C@@H]1C[C@@H]1N1C[C@H](NCc2ccc3c(c2)CCCO3)CC1=O ZINC001657314641 1080170200 /nfs/dbraw/zinc/17/02/00/1080170200.db2.gz YBZPDSBRBVFTCK-WQVCFCJDSA-N 0 3 300.402 2.111 20 10 DECDHN COc1cc(C)c(C[NH2+]C[C@@H]2CCCN(C(C)=O)C2)c([O-])c1 ZINC001659655500 1080246751 /nfs/dbraw/zinc/24/67/51/1080246751.db2.gz YEONHEYDMRCSRK-AWEZNQCLSA-N 0 3 306.406 2.057 20 10 DECDHN CCCN1C[C@H](C[NH2+]Cc2c(C)cc(OC)cc2[O-])CC1=O ZINC001665031849 1080984679 /nfs/dbraw/zinc/98/46/79/1080984679.db2.gz JKKBFFGMGQDUPP-ZDUSSCGKSA-N 0 3 306.406 2.057 20 10 DECDHN O=C([C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1[O-])C2)N1CC=CC1 ZINC001277446582 1083973734 /nfs/dbraw/zinc/97/37/34/1083973734.db2.gz QZYYTKNNTGJHEV-ALXJQNPVSA-N 0 3 312.413 2.249 20 10 DECDHN O=C([C@H]1[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1[O-])C2)N1CC=CC1 ZINC001277446582 1083973742 /nfs/dbraw/zinc/97/37/42/1083973742.db2.gz QZYYTKNNTGJHEV-ALXJQNPVSA-N 0 3 312.413 2.249 20 10 DECDHN CN(C)c1ccc(CN2C[C@@H]3CC[C@H](C2)[C@H]3C(N)=O)c(Cl)c1 ZINC001277550936 1084031925 /nfs/dbraw/zinc/03/19/25/1084031925.db2.gz HEBJMCBLPBQZNY-YWVIFJGQSA-N 0 3 321.852 2.349 20 10 DECDHN COc1cc(CN2CC3(CCN3C3CCCC3)C2)c(O)cc1O ZINC001276092210 1091538731 /nfs/dbraw/zinc/53/87/31/1091538731.db2.gz HXPMWUMNFNGBTD-UHFFFAOYSA-N 0 3 318.417 2.309 20 10 DECDHN CNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)cc(C)c1[O-])CC2 ZINC001274099915 1093797645 /nfs/dbraw/zinc/79/76/45/1093797645.db2.gz RRDFNXGGMCQEBO-AWEZNQCLSA-N 0 3 306.381 2.188 20 10 DECDHN CCCCN1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC001236755483 1138409486 /nfs/dbraw/zinc/40/94/86/1138409486.db2.gz FCFKLZGIEDNKDL-UHFFFAOYSA-N 0 3 308.422 2.327 20 10 DECDHN COc1cc(O)c(CN2CCC[C@@]3(CCC(=O)O3)C2)cc1OC ZINC001236757966 1138413350 /nfs/dbraw/zinc/41/33/50/1138413350.db2.gz URJAYTXRWUOGAJ-QGZVFWFLSA-N 0 3 321.373 2.081 20 10 DECDHN COC(=O)[C@@H]1CCC[N@H+](Cc2c(C)cc(OC)cc2[O-])[C@@H]1C ZINC001236810393 1138437492 /nfs/dbraw/zinc/43/74/92/1138437492.db2.gz FMKLKEJTRHAPAT-TZMCWYRMSA-N 0 3 307.390 2.483 20 10 DECDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2c(C)cc(OC)cc2[O-])[C@@H]1C ZINC001236810393 1138437495 /nfs/dbraw/zinc/43/74/95/1138437495.db2.gz FMKLKEJTRHAPAT-TZMCWYRMSA-N 0 3 307.390 2.483 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C)C2)c([O-])c1 ZINC001236812540 1138437627 /nfs/dbraw/zinc/43/76/27/1138437627.db2.gz BDMRQULHHVEIIZ-XJKSGUPXSA-N 0 3 318.417 2.152 20 10 DECDHN COc1cc(C)c(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C)C2)c([O-])c1 ZINC001236812540 1138437632 /nfs/dbraw/zinc/43/76/32/1138437632.db2.gz BDMRQULHHVEIIZ-XJKSGUPXSA-N 0 3 318.417 2.152 20 10 DECDHN OC[C@H]1CCCN1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236920988 1138457108 /nfs/dbraw/zinc/45/71/08/1138457108.db2.gz BNGVJVDUUCKAKR-OAHLLOKOSA-N 0 3 310.825 2.133 20 10 DECDHN CO[C@@H](C)C1CN(Cc2ccc(N3CCN(C)CC3)cc2F)C1 ZINC001236945448 1138463508 /nfs/dbraw/zinc/46/35/08/1138463508.db2.gz ISUROJWASSKCJP-AWEZNQCLSA-N 0 3 321.440 2.044 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N(C)C)C2)c([O-])c1 ZINC001237041136 1138485765 /nfs/dbraw/zinc/48/57/65/1138485765.db2.gz GIDCTXIHKVBLMQ-CQSZACIVSA-N 0 3 306.406 2.091 20 10 DECDHN CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)N(C)C)C2)c([O-])c1 ZINC001237041136 1138485772 /nfs/dbraw/zinc/48/57/72/1138485772.db2.gz GIDCTXIHKVBLMQ-CQSZACIVSA-N 0 3 306.406 2.091 20 10 DECDHN CCOc1ccc(C[N@@H+]2CC[C@H](Oc3cnccn3)C2)c([O-])c1 ZINC001237048823 1138490023 /nfs/dbraw/zinc/49/00/23/1138490023.db2.gz WWMNAGKVAGLKMX-HNNXBMFYSA-N 0 3 315.373 2.234 20 10 DECDHN CCOc1ccc(C[N@H+]2CC[C@H](Oc3cnccn3)C2)c([O-])c1 ZINC001237048823 1138490027 /nfs/dbraw/zinc/49/00/27/1138490027.db2.gz WWMNAGKVAGLKMX-HNNXBMFYSA-N 0 3 315.373 2.234 20 10 DECDHN O=S1(=O)CCN(c2ccc(CN3CCCCCC3)cc2)CC1 ZINC001237202269 1138529563 /nfs/dbraw/zinc/52/95/63/1138529563.db2.gz DYNAJLDSFDWWTP-UHFFFAOYSA-N 0 3 322.474 2.297 20 10 DECDHN Cc1cc([O-])c(C[N@@H+]2CC[C@](C)(O)C2)cc1Br ZINC001237678433 1138751744 /nfs/dbraw/zinc/75/17/44/1138751744.db2.gz YZWPYVRHTADOHG-ZDUSSCGKSA-N 0 3 300.196 2.420 20 10 DECDHN Cc1cc([O-])c(C[N@H+]2CC[C@](C)(O)C2)cc1Br ZINC001237678433 1138751780 /nfs/dbraw/zinc/75/17/80/1138751780.db2.gz YZWPYVRHTADOHG-ZDUSSCGKSA-N 0 3 300.196 2.420 20 10 DECDHN COc1cc(CN2CCC[C@]3(CCC(=O)O3)C2)c(O)c(OC)c1 ZINC001237679904 1138757006 /nfs/dbraw/zinc/75/70/06/1138757006.db2.gz GFBFBEWYNFQYRI-KRWDZBQOSA-N 0 3 321.373 2.081 20 10 DECDHN CCCNC(=S)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001244917637 1140501026 /nfs/dbraw/zinc/50/10/26/1140501026.db2.gz AORNODNXLCMKQM-UHFFFAOYSA-N 0 3 307.463 2.231 20 10 DECDHN COC(=O)Cc1ccc(C[N@H+](C)CCc2ccncc2)c([O-])c1 ZINC001249201433 1141858900 /nfs/dbraw/zinc/85/89/00/1141858900.db2.gz SFRNWFRGUVTFRR-UHFFFAOYSA-N 0 3 314.385 2.177 20 10 DECDHN COC(=O)Cc1ccc(C[N@@H+](C)CCc2ccncc2)c([O-])c1 ZINC001249201433 1141858902 /nfs/dbraw/zinc/85/89/02/1141858902.db2.gz SFRNWFRGUVTFRR-UHFFFAOYSA-N 0 3 314.385 2.177 20 10 DECDHN CCO[C@@H]1CCC[N@H+](Cc2ccc(CC(=O)OC)cc2[O-])C1 ZINC001249201056 1141859024 /nfs/dbraw/zinc/85/90/24/1141859024.db2.gz CCKSBSQUHOSHBC-OAHLLOKOSA-N 0 3 307.390 2.109 20 10 DECDHN CCO[C@@H]1CCC[N@@H+](Cc2ccc(CC(=O)OC)cc2[O-])C1 ZINC001249201056 1141859026 /nfs/dbraw/zinc/85/90/26/1141859026.db2.gz CCKSBSQUHOSHBC-OAHLLOKOSA-N 0 3 307.390 2.109 20 10 DECDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](OC)C[C@H]2C)c([O-])c1 ZINC001249223666 1141862536 /nfs/dbraw/zinc/86/25/36/1141862536.db2.gz LTVVJARLGPUKPJ-IUODEOHRSA-N 0 3 307.390 2.107 20 10 DECDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)c([O-])c1 ZINC001249223666 1141862538 /nfs/dbraw/zinc/86/25/38/1141862538.db2.gz LTVVJARLGPUKPJ-IUODEOHRSA-N 0 3 307.390 2.107 20 10 DECDHN COc1ccc(-c2noc(C[C@@H]([NH3+])c3ccccc3[O-])n2)nc1 ZINC001249338751 1141876765 /nfs/dbraw/zinc/87/67/65/1141876765.db2.gz AEHOSJHHYRHBPV-GFCCVEGCSA-N 0 3 312.329 2.088 20 10 DECDHN Cc1cc(CN2C[C@@H]3C[C@H]2CN3C)c(O)cc1Br ZINC001250132586 1142087256 /nfs/dbraw/zinc/08/72/56/1142087256.db2.gz AJHOBAFESNBPMA-RYUDHWBXSA-N 0 3 311.223 2.351 20 10 DECDHN O=C(NCc1c(O)cccc1F)c1cc2c(s1)CCNC2 ZINC001342536398 1143822548 /nfs/dbraw/zinc/82/25/48/1143822548.db2.gz OHTVJHBVSDRKFX-UHFFFAOYSA-N 0 3 306.362 2.169 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CC[C@H](Nc3ncccn3)C2)c([O-])c1 ZINC001308835302 1147487657 /nfs/dbraw/zinc/48/76/57/1147487657.db2.gz JXJZZEBLMHEGQT-ZDUSSCGKSA-N 0 3 314.389 2.186 20 10 DECDHN COc1cc(C)c(C[N@H+]2CC[C@H](Nc3ncccn3)C2)c([O-])c1 ZINC001308835302 1147487666 /nfs/dbraw/zinc/48/76/66/1147487666.db2.gz JXJZZEBLMHEGQT-ZDUSSCGKSA-N 0 3 314.389 2.186 20 10 DECDHN COCCOCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000079433069 185171027 /nfs/dbraw/zinc/17/10/27/185171027.db2.gz ZOFPYKZKDWENFL-INIZCTEOSA-N 0 3 309.406 2.036 20 10 DECDHN COCCOCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000079433069 185171028 /nfs/dbraw/zinc/17/10/28/185171028.db2.gz ZOFPYKZKDWENFL-INIZCTEOSA-N 0 3 309.406 2.036 20 10 DECDHN Cn1cc(CC[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cn1 ZINC000077284167 355196207 /nfs/dbraw/zinc/19/62/07/355196207.db2.gz XICZZFDSHAGUDM-KRWDZBQOSA-N 0 3 315.417 2.349 20 10 DECDHN Cn1cc(CC[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cn1 ZINC000077284167 355196208 /nfs/dbraw/zinc/19/62/08/355196208.db2.gz XICZZFDSHAGUDM-KRWDZBQOSA-N 0 3 315.417 2.349 20 10 DECDHN COc1cccc(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1[O-] ZINC000093870391 355688142 /nfs/dbraw/zinc/68/81/42/355688142.db2.gz WGYJCHBFHALBMF-CYBMUJFWSA-N 0 3 301.390 2.199 20 10 DECDHN COc1cccc(C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1[O-] ZINC000093870391 355688147 /nfs/dbraw/zinc/68/81/47/355688147.db2.gz WGYJCHBFHALBMF-CYBMUJFWSA-N 0 3 301.390 2.199 20 10 DECDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NC)C2)c([O-])c1 ZINC000093361095 193237698 /nfs/dbraw/zinc/23/76/98/193237698.db2.gz NYKOCIVIWALPBK-CQSZACIVSA-N 0 3 306.406 2.139 20 10 DECDHN CCCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)NC)C2)c([O-])c1 ZINC000093361095 193237700 /nfs/dbraw/zinc/23/77/00/193237700.db2.gz NYKOCIVIWALPBK-CQSZACIVSA-N 0 3 306.406 2.139 20 10 DECDHN COc1cccc(C[NH2+]CCc2cn3c(n2)SCC3)c1[O-] ZINC000274293084 130224702 /nfs/dbraw/zinc/22/47/02/130224702.db2.gz ZOHSFILNYYYIKS-UHFFFAOYSA-N 0 3 305.403 2.035 20 10 DECDHN COCCOCCOCCC[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000274655282 130252228 /nfs/dbraw/zinc/25/22/28/130252228.db2.gz MFAPYKDUWOSYFJ-OAHLLOKOSA-N 0 3 311.422 2.421 20 10 DECDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CN(C)C1CC1 ZINC000289496030 131391001 /nfs/dbraw/zinc/39/10/01/131391001.db2.gz ZNUNGHQGOYNQNY-KRWDZBQOSA-N 0 3 306.450 2.449 20 10 DECDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)CN(C)C1CC1 ZINC000289496030 131391003 /nfs/dbraw/zinc/39/10/03/131391003.db2.gz ZNUNGHQGOYNQNY-KRWDZBQOSA-N 0 3 306.450 2.449 20 10 DECDHN CCN1CCCC[C@H]1CNC(=O)NCc1cccc(OC)c1O ZINC000074169687 401732360 /nfs/dbraw/zinc/73/23/60/401732360.db2.gz DUIYPCCRGPEUAW-AWEZNQCLSA-N 0 3 321.421 2.074 20 10 DECDHN C[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000134643052 401909998 /nfs/dbraw/zinc/90/99/98/401909998.db2.gz WKIHSFVDUYNZPJ-IJEWVQPXSA-N 0 3 320.408 2.250 20 10 DECDHN CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cccc(OC)c1[O-])CC2 ZINC000093614046 402017872 /nfs/dbraw/zinc/01/78/72/402017872.db2.gz BCDRZFMYILVYSD-HOTGVXAUSA-N 0 3 321.417 2.153 20 10 DECDHN CCN(CC)c1ccc(CN2CCC[C@H](C(N)=O)C2)cc1F ZINC000155026427 402241696 /nfs/dbraw/zinc/24/16/96/402241696.db2.gz ZMVALMSIKYBFRR-AWEZNQCLSA-N 0 3 307.413 2.369 20 10 DECDHN [O-]c1ccccc1C[N@H+](CCC1OCCO1)C[C@@H]1CCCO1 ZINC000124943749 402205032 /nfs/dbraw/zinc/20/50/32/402205032.db2.gz CLVUUYAKXVTPEG-HNNXBMFYSA-N 0 3 307.390 2.136 20 10 DECDHN [O-]c1ccccc1C[N@@H+](CCC1OCCO1)C[C@@H]1CCCO1 ZINC000124943749 402205033 /nfs/dbraw/zinc/20/50/33/402205033.db2.gz CLVUUYAKXVTPEG-HNNXBMFYSA-N 0 3 307.390 2.136 20 10 DECDHN CCN(CC)c1ccc(CNC(=O)N(C)CCN(C)C)cc1F ZINC000176344777 402301698 /nfs/dbraw/zinc/30/16/98/402301698.db2.gz SCRMUKKDICVPJL-UHFFFAOYSA-N 0 3 324.444 2.375 20 10 DECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CCOCC2)c1 ZINC000184915519 402308989 /nfs/dbraw/zinc/30/89/89/402308989.db2.gz LTPPNSAZHZYAJD-PBHICJAKSA-N 0 3 322.449 2.408 20 10 DECDHN COCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(C)cc2[O-])CC1 ZINC000186128330 402403799 /nfs/dbraw/zinc/40/37/99/402403799.db2.gz XOXVXYHKMWXPTM-CQSZACIVSA-N 0 3 320.433 2.379 20 10 DECDHN CC[C@@H]([NH2+][C@H](C)CCN1CCN(C)CC1)c1ccccc1[O-] ZINC000186427095 402430853 /nfs/dbraw/zinc/43/08/53/402430853.db2.gz IJJDXNJSDDRFRM-NVXWUHKLSA-N 0 3 305.466 2.459 20 10 DECDHN Cc1ccc([C@H](C)[NH2+][C@H](C)CCN2CCN(C)CC2)c([O-])c1 ZINC000186569725 402442768 /nfs/dbraw/zinc/44/27/68/402442768.db2.gz JGXACSUPLXPTTQ-CVEARBPZSA-N 0 3 305.466 2.377 20 10 DECDHN C[C@H]([NH2+]CCCCCS(C)(=O)=O)c1cc(F)ccc1[O-] ZINC000186859618 402468036 /nfs/dbraw/zinc/46/80/36/402468036.db2.gz LJYMDHCZVFZXHE-NSHDSACASA-N 0 3 303.399 2.397 20 10 DECDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c1[O-] ZINC000179779531 402600495 /nfs/dbraw/zinc/60/04/95/402600495.db2.gz WCHZWUXRPHHOHJ-HNNXBMFYSA-N 0 3 310.825 2.261 20 10 DECDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H](N3CCOCC3)C2)c1[O-] ZINC000179779531 402600497 /nfs/dbraw/zinc/60/04/97/402600497.db2.gz WCHZWUXRPHHOHJ-HNNXBMFYSA-N 0 3 310.825 2.261 20 10 DECDHN Cc1cc(O)c(CN[C@H](C)C(=O)NCc2ccco2)cc1C ZINC000174379002 402738532 /nfs/dbraw/zinc/73/85/32/402738532.db2.gz NZANDOSAEOQJSP-CYBMUJFWSA-N 0 3 302.374 2.397 20 10 DECDHN COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000193498066 402771539 /nfs/dbraw/zinc/77/15/39/402771539.db2.gz PVZNSEGHSGKZQG-JOYOIKCWSA-N 0 3 313.781 2.486 20 10 DECDHN OC[C@@H](C[C@@H](O)c1ccccc1)NCc1ccc2c(c1)CCO2 ZINC000269978829 403178002 /nfs/dbraw/zinc/17/80/02/403178002.db2.gz ZTSCGYTYXWJQFK-QZTJIDSGSA-N 0 3 313.397 2.196 20 10 DECDHN [O-]c1cc2c(cc1C[NH2+]C[C@H](CO)C1CCCCC1)OCO2 ZINC000293022973 403386194 /nfs/dbraw/zinc/38/61/94/403386194.db2.gz PBHDBQSLVKGICY-CQSZACIVSA-N 0 3 307.390 2.399 20 10 DECDHN O=C1NCCC[N@@H+](Cc2ccccc2[O-])[C@@H]1Cc1ccccc1 ZINC000293687323 403538322 /nfs/dbraw/zinc/53/83/22/403538322.db2.gz QGLAUCOLGNYLSE-QGZVFWFLSA-N 0 3 310.397 2.325 20 10 DECDHN O=C1NCCC[N@H+](Cc2ccccc2[O-])[C@@H]1Cc1ccccc1 ZINC000293687323 403538324 /nfs/dbraw/zinc/53/83/24/403538324.db2.gz QGLAUCOLGNYLSE-QGZVFWFLSA-N 0 3 310.397 2.325 20 10 DECDHN CCOc1cccc(CN[C@@H]2Cc3ccccc3NC2=O)c1O ZINC000527799165 406754385 /nfs/dbraw/zinc/75/43/85/406754385.db2.gz JINLXRPREIUINV-OAHLLOKOSA-N 0 3 312.369 2.444 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CC[C@@]3(C2)CCCOC3)cc1OC ZINC000368497062 227010523 /nfs/dbraw/zinc/01/05/23/227010523.db2.gz VAUJJVTURKOQSJ-QGZVFWFLSA-N 0 3 307.390 2.412 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CC[C@@]3(C2)CCCOC3)cc1OC ZINC000368497062 227010528 /nfs/dbraw/zinc/01/05/28/227010528.db2.gz VAUJJVTURKOQSJ-QGZVFWFLSA-N 0 3 307.390 2.412 20 10 DECDHN C[C@H]1CCNC(=O)[C@H]1NCc1ccc(N2CCCCC2)cc1 ZINC000193685287 278372770 /nfs/dbraw/zinc/37/27/70/278372770.db2.gz CWCKTGHDUZCBTM-YOEHRIQHSA-N 0 3 301.434 2.291 20 10 DECDHN CCOC(=O)c1csc(CC[NH2+]Cc2ccccc2[O-])n1 ZINC000190340947 521588936 /nfs/dbraw/zinc/58/89/36/521588936.db2.gz UGOXBXJULUFKQS-UHFFFAOYSA-N 0 3 306.387 2.358 20 10 DECDHN CC[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccccc1[O-] ZINC000157499296 522621256 /nfs/dbraw/zinc/62/12/56/522621256.db2.gz ZTXUJQQAFCNOTH-HIFRSBDPSA-N 0 3 307.390 2.355 20 10 DECDHN COc1cc([O-])c(C[NH2+]C[C@@](C)(O)c2cccs2)cc1OC ZINC000182383896 522782846 /nfs/dbraw/zinc/78/28/46/522782846.db2.gz UZTQBPVLQVJKHI-MRXNPFEDSA-N 0 3 323.414 2.468 20 10 DECDHN CNC(=O)CC1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000129600705 524055874 /nfs/dbraw/zinc/05/58/74/524055874.db2.gz YRKWIFIMMUPWGH-UHFFFAOYSA-N 0 3 307.413 2.240 20 10 DECDHN COc1ccc([O-])c(C[N@H+](C)CC(C)(C)CN2CCOCC2)c1 ZINC000180548256 524733292 /nfs/dbraw/zinc/73/32/92/524733292.db2.gz VZOQVGFVQUNSBX-UHFFFAOYSA-N 0 3 322.449 2.191 20 10 DECDHN COc1ccc([O-])c(C[N@@H+](C)CC(C)(C)CN2CCOCC2)c1 ZINC000180548256 524733307 /nfs/dbraw/zinc/73/33/07/524733307.db2.gz VZOQVGFVQUNSBX-UHFFFAOYSA-N 0 3 322.449 2.191 20 10 DECDHN Cc1cc(O)c(CN2CCCN(C(=O)C3CC3)CC2)cc1C ZINC000129941870 525314835 /nfs/dbraw/zinc/31/48/35/525314835.db2.gz BASBPOCFUUQNOK-UHFFFAOYSA-N 0 3 302.418 2.453 20 10 DECDHN Fc1cc(CNC[C@@H]2CCC=CO2)ccc1N1CCOCC1 ZINC000189556785 526296623 /nfs/dbraw/zinc/29/66/23/526296623.db2.gz AVNNSXOGTHFLBU-HNNXBMFYSA-N 0 3 306.381 2.445 20 10 DECDHN C[C@H](O)CN1CCN(C/C=C/c2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000835054859 649872779 /nfs/dbraw/zinc/87/27/79/649872779.db2.gz RTGCRKJJRAAQAU-WBXGCANISA-N 0 3 317.477 2.153 20 10 DECDHN CC(C)OC[C@@H](CO)N(C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835054833 649873047 /nfs/dbraw/zinc/87/30/47/649873047.db2.gz ZKAVQDVUWHYADZ-IPLHWJFFSA-N 0 3 306.450 2.484 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCC=CO2)N(C)C)cc1 ZINC000891247187 623791331 /nfs/dbraw/zinc/79/13/31/623791331.db2.gz GSYRLZPMJAHGBX-SJORKVTESA-N 0 3 317.433 2.164 20 10 DECDHN COc1ccc(CNCc2ccc(OC)c(OC)c2O)cn1 ZINC000892532815 625110460 /nfs/dbraw/zinc/11/04/60/625110460.db2.gz HISSTLGUBSFGHY-UHFFFAOYSA-N 0 3 304.346 2.103 20 10 DECDHN COC(=O)CC[N@H+](Cc1cc(F)ccc1[O-])C1CCOCC1 ZINC000180213301 625179035 /nfs/dbraw/zinc/17/90/35/625179035.db2.gz AXYXBKXWDHUOBM-UHFFFAOYSA-N 0 3 311.353 2.075 20 10 DECDHN COC(=O)CC[N@@H+](Cc1cc(F)ccc1[O-])C1CCOCC1 ZINC000180213301 625179036 /nfs/dbraw/zinc/17/90/36/625179036.db2.gz AXYXBKXWDHUOBM-UHFFFAOYSA-N 0 3 311.353 2.075 20 10 DECDHN CCOc1ccc(O)c(CN2CCN(CC(C)(C)O)[C@@H](C)C2)c1 ZINC000249894039 636255849 /nfs/dbraw/zinc/25/58/49/636255849.db2.gz RCHMXNFWEZGJEV-AWEZNQCLSA-N 0 3 322.449 2.068 20 10 DECDHN COc1ccc(C[NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)c([O-])c1 ZINC000894186450 636400587 /nfs/dbraw/zinc/40/05/87/636400587.db2.gz WZUAYDWDVOYFAD-ZIAGYGMSSA-N 0 3 311.353 2.124 20 10 DECDHN [O-]c1cc2c(cc1C[NH2+][C@H](C1CC1)[C@H]1CCCOC1)OCO2 ZINC000922895183 636780739 /nfs/dbraw/zinc/78/07/39/636780739.db2.gz CUSAUWIBKRLVPO-YVEFUNNKSA-N 0 3 305.374 2.416 20 10 DECDHN COC(=O)c1c(CNCC(C)(C)CO)c2cc(F)ccc2n1C ZINC000894359610 636940004 /nfs/dbraw/zinc/94/00/04/636940004.db2.gz PJKHGJOCHBUCRQ-UHFFFAOYSA-N 0 3 322.380 2.212 20 10 DECDHN COC(=O)c1c(CNC[C@H](C)OC)c2cc(F)ccc2n1C ZINC000894533087 637093713 /nfs/dbraw/zinc/09/37/13/637093713.db2.gz OWJMUFRTVRAQDU-JTQLQIEISA-N 0 3 308.353 2.229 20 10 DECDHN Cc1cc(Br)cc(CN2C[C@H](O)C[C@@H]2C)c1O ZINC000788269027 637541724 /nfs/dbraw/zinc/54/17/24/637541724.db2.gz KEBOJWKRICFRFA-JOYOIKCWSA-N 0 3 300.196 2.418 20 10 DECDHN COc1ccc([C@H](CO)C[NH2+]Cc2c([O-])cccc2OC)cc1 ZINC000839183675 637812969 /nfs/dbraw/zinc/81/29/69/637812969.db2.gz AEQPBEVMIUSLKF-AWEZNQCLSA-N 0 3 317.385 2.275 20 10 DECDHN C/C=C/CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000896018496 638312834 /nfs/dbraw/zinc/31/28/34/638312834.db2.gz OOFSPBAFIGNRRD-FYCOFBDGSA-N 0 3 304.438 2.231 20 10 DECDHN Cc1cccc(O)c1CN[C@@H]1CON(C(=O)OC(C)(C)C)C1 ZINC000897003243 639123475 /nfs/dbraw/zinc/12/34/75/639123475.db2.gz NVYAHXMGLRTGBX-LBPRGKRZSA-N 0 3 308.378 2.341 20 10 DECDHN C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C2CCOCC2)c2c1c(F)ccc2[O-] ZINC000756735894 639690913 /nfs/dbraw/zinc/69/09/13/639690913.db2.gz CQDYMMROQLRGNQ-RIEGTJTDSA-N 0 3 309.381 2.457 20 10 DECDHN C[C@@H]1[C@@H](NCCF)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000987593936 640231179 /nfs/dbraw/zinc/23/11/79/640231179.db2.gz HGEOQCKVVZVTDX-MFKMUULPSA-N 0 3 321.356 2.011 20 10 DECDHN COc1ccc(O)c(CN[C@H]2c3ccccc3OC[C@H]2CO)c1 ZINC000897950625 640983921 /nfs/dbraw/zinc/98/39/21/640983921.db2.gz MUENUYWAXCWEOG-FZKQIMNGSA-N 0 3 315.369 2.233 20 10 DECDHN COC(=O)c1cc2n(n1)CCC[C@H]2NCc1cc(C)ccc1O ZINC000897985841 640996183 /nfs/dbraw/zinc/99/61/83/640996183.db2.gz SAISWDRAJCGTIC-CYBMUJFWSA-N 0 3 315.373 2.308 20 10 DECDHN Cc1cccc([O-])c1C[NH2+]C[C@]1(c2cnn(C)c2)CCCO1 ZINC000898054235 641015099 /nfs/dbraw/zinc/01/50/99/641015099.db2.gz STUGTKOFKOPLBI-KRWDZBQOSA-N 0 3 301.390 2.230 20 10 DECDHN Cc1cc(O)c(CN2CCN(C[C@@H]3CCCO3)CC2)cc1C ZINC000768190871 641058423 /nfs/dbraw/zinc/05/84/23/641058423.db2.gz CWGWBZYRSWXQTL-KRWDZBQOSA-N 0 3 304.434 2.306 20 10 DECDHN C[N@H+](CCOc1ccccc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768437658 641081072 /nfs/dbraw/zinc/08/10/72/641081072.db2.gz BXRDRZXRAISZAJ-QGZVFWFLSA-N 0 3 315.369 2.329 20 10 DECDHN C[N@@H+](CCOc1ccccc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768437658 641081075 /nfs/dbraw/zinc/08/10/75/641081075.db2.gz BXRDRZXRAISZAJ-QGZVFWFLSA-N 0 3 315.369 2.329 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](c3ccco3)C1)[C@H](O)CO2 ZINC000768444387 641082858 /nfs/dbraw/zinc/08/28/58/641082858.db2.gz AQDSRVBXXPUGBZ-XHDPSFHLSA-N 0 3 301.342 2.401 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](c3ccco3)C1)[C@H](O)CO2 ZINC000768444387 641082864 /nfs/dbraw/zinc/08/28/64/641082864.db2.gz AQDSRVBXXPUGBZ-XHDPSFHLSA-N 0 3 301.342 2.401 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@]3(CCCOC3)C1)[C@@H](O)CO2 ZINC000768464751 641084611 /nfs/dbraw/zinc/08/46/11/641084611.db2.gz UHRJSDZGHGAOFF-WMZOPIPTSA-N 0 3 319.401 2.211 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@]3(CCCOC3)C1)[C@@H](O)CO2 ZINC000768464751 641084616 /nfs/dbraw/zinc/08/46/16/641084616.db2.gz UHRJSDZGHGAOFF-WMZOPIPTSA-N 0 3 319.401 2.211 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](C3CCOCC3)C1)[C@H](O)CO2 ZINC000768466276 641086136 /nfs/dbraw/zinc/08/61/36/641086136.db2.gz XKHNRCNMFPCEOR-SUMWQHHRSA-N 0 3 319.401 2.067 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](C3CCOCC3)C1)[C@H](O)CO2 ZINC000768466276 641086137 /nfs/dbraw/zinc/08/61/37/641086137.db2.gz XKHNRCNMFPCEOR-SUMWQHHRSA-N 0 3 319.401 2.067 20 10 DECDHN CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1c([O-])cccc1OC)CC2 ZINC000769478483 641247462 /nfs/dbraw/zinc/24/74/62/641247462.db2.gz DUYIHJAAISZNGE-IAGOWNOFSA-N 0 3 321.417 2.153 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)N2CC(C)(F)C2)N(C)C)cc1 ZINC000899104661 641936534 /nfs/dbraw/zinc/93/65/34/641936534.db2.gz RYYWOMORIWONJJ-HNNXBMFYSA-N 0 3 322.428 2.109 20 10 DECDHN C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1ccccc1[O-] ZINC000775136567 642010274 /nfs/dbraw/zinc/01/02/74/642010274.db2.gz LGPUCBZIQUQLER-CYBMUJFWSA-N 0 3 320.414 2.021 20 10 DECDHN C[C@@H](NCC(=O)NC(=O)NC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000775835421 642103271 /nfs/dbraw/zinc/10/32/71/642103271.db2.gz YOSOBECLPNGNQC-GFCCVEGCSA-N 0 3 320.437 2.028 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1)[C@H](O)CO2 ZINC000842618587 650783601 /nfs/dbraw/zinc/78/36/01/650783601.db2.gz SUVMJXIECHFKNU-SRCQZFHVSA-N 0 3 319.401 2.209 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1)[C@H](O)CO2 ZINC000842618587 650783604 /nfs/dbraw/zinc/78/36/04/650783604.db2.gz SUVMJXIECHFKNU-SRCQZFHVSA-N 0 3 319.401 2.209 20 10 DECDHN [O-]c1ccc(Br)cc1CN[C@H]1C[NH2+]CCC1(F)F ZINC000841074114 643139753 /nfs/dbraw/zinc/13/97/53/643139753.db2.gz BRRJEZKAGNCIKQ-NSHDSACASA-N 0 3 321.165 2.242 20 10 DECDHN [O-]c1cccc2c1[C@H]([NH2+]CC1(O)CCC3(CC1)OCCO3)CC2 ZINC000903372787 643330574 /nfs/dbraw/zinc/33/05/74/643330574.db2.gz NVOWQEFKJLOUPL-CQSZACIVSA-N 0 3 319.401 2.017 20 10 DECDHN COc1cccc([O-])c1C[NH2+][C@H](CO)Cc1ccccc1C ZINC000786160828 643333247 /nfs/dbraw/zinc/33/32/47/643333247.db2.gz LYKFPKZFRGJDSO-HNNXBMFYSA-N 0 3 301.386 2.402 20 10 DECDHN O=C(NCCCSc1nccs1)[C@@H]1CCCN1C1CC1 ZINC000787350146 643484839 /nfs/dbraw/zinc/48/48/39/643484839.db2.gz XJTVGVFQGUJFNK-LBPRGKRZSA-N 0 3 311.476 2.368 20 10 DECDHN C[C@@H]1C[C@H]([NH2+]CC2(S(C)(=O)=O)CC2)c2c1c(F)ccc2[O-] ZINC000794830315 644481504 /nfs/dbraw/zinc/48/15/04/644481504.db2.gz WQBKWPHSQVBPIE-KOLCDFICSA-N 0 3 313.394 2.246 20 10 DECDHN C[C@H]1C[C@@H]([NH2+]CC(=O)NCC(F)F)c2c1c(F)ccc2[O-] ZINC000795845041 644646411 /nfs/dbraw/zinc/64/64/11/644646411.db2.gz OKXKWAHJRUNEOH-IONNQARKSA-N 0 3 302.296 2.051 20 10 DECDHN C[NH+]1CCC2(CCC(NC(=O)c3cccc(O)c3[O-])CC2)CC1 ZINC000908496546 644877308 /nfs/dbraw/zinc/87/73/08/644877308.db2.gz UPDIXOHOWJMCFM-UHFFFAOYSA-N 0 3 318.417 2.482 20 10 DECDHN CO[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1(C)C ZINC000840122198 646003176 /nfs/dbraw/zinc/00/31/76/646003176.db2.gz BECQYQOBXBLXQX-ZBFHGGJFSA-N 0 3 307.390 2.065 20 10 DECDHN CO[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1(C)C ZINC000840122198 646003178 /nfs/dbraw/zinc/00/31/78/646003178.db2.gz BECQYQOBXBLXQX-ZBFHGGJFSA-N 0 3 307.390 2.065 20 10 DECDHN Cc1cc(CN2CCN([C@H]3CCC[C@@H]3O)CC2)ccc1N(C)C ZINC000815037896 646958538 /nfs/dbraw/zinc/95/85/38/646958538.db2.gz YUOPLAZQXIKCSY-OALUTQOASA-N 0 3 317.477 2.092 20 10 DECDHN C[C@H](CNC(=O)NCc1c([O-])cccc1F)C[NH+]1CCCC1 ZINC000914242991 647233333 /nfs/dbraw/zinc/23/33/33/647233333.db2.gz AWAXWQKHQLSMMQ-GFCCVEGCSA-N 0 3 309.385 2.062 20 10 DECDHN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1cnccc1N ZINC000817894211 647373883 /nfs/dbraw/zinc/37/38/83/647373883.db2.gz KWNIDZHJOUDMBX-AWEZNQCLSA-N 0 3 312.417 2.182 20 10 DECDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCOC2)c1[O-] ZINC000818236985 647438684 /nfs/dbraw/zinc/43/86/84/647438684.db2.gz VYVZVTUIQYYRLF-SNVBAGLBSA-N 0 3 302.168 2.042 20 10 DECDHN COc1ccc(O)c([C@H](C)N[C@H]2CCN(C(C)(C)C)C2=O)c1 ZINC000822818095 648295576 /nfs/dbraw/zinc/29/55/76/648295576.db2.gz JSJBBWQYMQCQEE-FZMZJTMJSA-N 0 3 306.406 2.451 20 10 DECDHN CC[C@@H]([NH2+]Cc1cc(Br)cc(OC)c1[O-])[C@H](C)O ZINC000824921777 648672614 /nfs/dbraw/zinc/67/26/14/648672614.db2.gz QWIINHIWYZFQAG-GZMMTYOYSA-N 0 3 318.211 2.412 20 10 DECDHN Cn1nccc1[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])CCO1 ZINC000825045464 648691815 /nfs/dbraw/zinc/69/18/15/648691815.db2.gz FGEMYWXPZAFKGM-XJKSGUPXSA-N 0 3 305.353 2.275 20 10 DECDHN COc1ccc(O)c([C@@H](C)NCC(=O)N2CCC[C@@H](C)C2)c1 ZINC000182426757 648902871 /nfs/dbraw/zinc/90/28/71/648902871.db2.gz NRCYJYCOMKUTLS-CHWSQXEVSA-N 0 3 306.406 2.310 20 10 DECDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c1[O-] ZINC000827133566 648978313 /nfs/dbraw/zinc/97/83/13/648978313.db2.gz UWCYIWOFIHTFDL-GXFFZTMASA-N 0 3 324.808 2.155 20 10 DECDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c1[O-] ZINC000827133566 648978318 /nfs/dbraw/zinc/97/83/18/648978318.db2.gz UWCYIWOFIHTFDL-GXFFZTMASA-N 0 3 324.808 2.155 20 10 DECDHN COc1cc(Br)cc(C[NH2+]C2([C@@H](C)O)CC2)c1[O-] ZINC000827580119 649053222 /nfs/dbraw/zinc/05/32/22/649053222.db2.gz PTONQJNFERPYDT-MRVPVSSYSA-N 0 3 316.195 2.166 20 10 DECDHN CCc1cccc(CN2CCN(c3nccn3C)CC2)c1O ZINC000827885225 649099527 /nfs/dbraw/zinc/09/95/27/649099527.db2.gz UNASLNVKABFCCO-UHFFFAOYSA-N 0 3 300.406 2.010 20 10 DECDHN CC(C)CN1CCO[C@@H](C[NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000834491719 649806754 /nfs/dbraw/zinc/80/67/54/649806754.db2.gz FKRWYNQQDCGKJV-HOTGVXAUSA-N 0 3 304.434 2.326 20 10 DECDHN CC(C)O[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000844719432 651160085 /nfs/dbraw/zinc/16/00/85/651160085.db2.gz ZATCHWWJTASEDI-CJNGLKHVSA-N 0 3 307.390 2.207 20 10 DECDHN CC(C)O[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000844719432 651160087 /nfs/dbraw/zinc/16/00/87/651160087.db2.gz ZATCHWWJTASEDI-CJNGLKHVSA-N 0 3 307.390 2.207 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@]3(CC3(F)F)C1)[C@H](O)CO2 ZINC000844751841 651164952 /nfs/dbraw/zinc/16/49/52/651164952.db2.gz WBQYRYQFIXRGNO-HIFRSBDPSA-N 0 3 311.328 2.439 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@]3(CC3(F)F)C1)[C@H](O)CO2 ZINC000844751841 651164955 /nfs/dbraw/zinc/16/49/55/651164955.db2.gz WBQYRYQFIXRGNO-HIFRSBDPSA-N 0 3 311.328 2.439 20 10 DECDHN Cc1cc(Br)cc(C[NH2+][C@@H](CO)CCF)c1[O-] ZINC000846099648 651307725 /nfs/dbraw/zinc/30/77/25/651307725.db2.gz HNRRFRCZZIYUIF-LLVKDONJSA-N 0 3 306.175 2.273 20 10 DECDHN COc1cccc([C@H](C)NCC(=O)NCc2ccccc2)c1O ZINC000846141966 651310504 /nfs/dbraw/zinc/31/05/04/651310504.db2.gz OYJRZVIXBVKZKA-ZDUSSCGKSA-N 0 3 314.385 2.368 20 10 DECDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@@H](O)C2)c1[O-] ZINC000848552893 651470173 /nfs/dbraw/zinc/47/01/73/651470173.db2.gz PMMJBGMDYZBDMQ-UJNFCWOMSA-N 0 3 316.195 2.337 20 10 DECDHN Cc1cc(N(C)C)ccc1CNC(=O)C1(N)CC2(CCC2)C1 ZINC000851632275 652193580 /nfs/dbraw/zinc/19/35/80/652193580.db2.gz KUBUFJDMCPUMLF-UHFFFAOYSA-N 0 3 301.434 2.339 20 10 DECDHN COCC1(NCc2cc(F)c(N(C)C)cc2F)CCOCC1 ZINC000858168895 652270372 /nfs/dbraw/zinc/27/03/72/652270372.db2.gz GSCPNMDZWKXLOM-UHFFFAOYSA-N 0 3 314.376 2.316 20 10 DECDHN CCOc1ccc(C[NH2+][C@H]2CCN(C3CCC3)C2=O)c([O-])c1 ZINC000858343371 652313256 /nfs/dbraw/zinc/31/32/56/652313256.db2.gz YZJIUJKJYOCPFA-HNNXBMFYSA-N 0 3 304.390 2.034 20 10 DECDHN Cc1cc(CN2CC[C@H](N3CCOC3=O)C2)ccc1N(C)C ZINC000852442755 652402044 /nfs/dbraw/zinc/40/20/44/652402044.db2.gz LLFUIDZHVZWMFW-HNNXBMFYSA-N 0 3 303.406 2.088 20 10 DECDHN CN(Cc1ccccc1O)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000854245068 652664411 /nfs/dbraw/zinc/66/44/11/652664411.db2.gz BGBAHNBZZUWUCE-CQSZACIVSA-N 0 3 305.422 2.406 20 10 DECDHN COc1ccc(O)c([C@H](C)N[C@@H]2CCN(C3CCC3)C2=O)c1 ZINC000858602980 685567073 /nfs/dbraw/zinc/56/70/73/685567073.db2.gz OISDFZPOIKALBD-XHDPSFHLSA-N 0 3 304.390 2.205 20 10 DECDHN CCN(CC)c1ccc(CN2CCN(CC(C)(C)O)CC2)cc1 ZINC000130012807 684184424 /nfs/dbraw/zinc/18/44/24/684184424.db2.gz BPCIBFWTRBTUSG-UHFFFAOYSA-N 0 3 319.493 2.421 20 10 DECDHN CCN(CC(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C ZINC000194085085 685055719 /nfs/dbraw/zinc/05/57/19/685055719.db2.gz SQZAMTGMNZQNOZ-UHFFFAOYSA-N 0 3 319.449 2.074 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H]3CC[C@@H](C1)S3)[C@H](O)CO2 ZINC000863294551 686470029 /nfs/dbraw/zinc/47/00/29/686470029.db2.gz HYCGGJOJFWKMEK-TYNCELHUSA-N 0 3 307.415 2.288 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H]3CC[C@@H](C1)S3)[C@H](O)CO2 ZINC000863294551 686470030 /nfs/dbraw/zinc/47/00/30/686470030.db2.gz HYCGGJOJFWKMEK-TYNCELHUSA-N 0 3 307.415 2.288 20 10 DECDHN COC(=O)/C=C(\C)CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000929971234 694061622 /nfs/dbraw/zinc/06/16/22/694061622.db2.gz NXAQZRDITBNDIJ-DKGMDFAASA-N 0 3 319.401 2.493 20 10 DECDHN CCO[C@H]1C[C@](N)(C(=O)N[C@@H](C)c2ccccc2O)C1(C)C ZINC000870988725 688704958 /nfs/dbraw/zinc/70/49/58/688704958.db2.gz XUJGFGZDDDFKJU-YLVFBTJISA-N 0 3 306.406 2.102 20 10 DECDHN COc1ccc(CN[C@@H]2C[C@]2(C)OC)cc1Cn1cccn1 ZINC000873139131 689168316 /nfs/dbraw/zinc/16/83/16/689168316.db2.gz VJCIRKJEOGXEKT-SJORKVTESA-N 0 3 301.390 2.207 20 10 DECDHN COCCCNC(=O)C1CC[NH+](Cc2ccc(C)cc2[O-])CC1 ZINC000876630416 689882080 /nfs/dbraw/zinc/88/20/80/689882080.db2.gz YYUDJCZLMVQJML-UHFFFAOYSA-N 0 3 320.433 2.065 20 10 DECDHN Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)c([O-])c1 ZINC000877518526 690138421 /nfs/dbraw/zinc/13/84/21/690138421.db2.gz UWIPJLWDVUTBHG-MRXNPFEDSA-N 0 3 317.433 2.470 20 10 DECDHN COc1ccc(N2CC[C@H](CNCc3snnc3C)C2)cc1 ZINC000877597882 690163100 /nfs/dbraw/zinc/16/31/00/690163100.db2.gz BPGBEMGRZBUZKB-CYBMUJFWSA-N 0 3 318.446 2.471 20 10 DECDHN CCOC(=O)[C@]1(C[NH2+]Cc2ccc(C)cc2[O-])CCCOC1 ZINC000877698057 690195750 /nfs/dbraw/zinc/19/57/50/690195750.db2.gz GNFOQOGCGITFBZ-KRWDZBQOSA-N 0 3 307.390 2.150 20 10 DECDHN COc1ccc(N2CCN(C[C@H]3C[C@@H](OC)C3)CC2)c(OC)c1 ZINC000879461177 690646658 /nfs/dbraw/zinc/64/66/58/690646658.db2.gz FLZZXYDQJOMLHO-FZNQNYSPSA-N 0 3 320.433 2.251 20 10 DECDHN C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000879650338 690699242 /nfs/dbraw/zinc/69/92/42/690699242.db2.gz VPJPFMPDRYAASL-STQMWFEESA-N 0 3 324.421 2.271 20 10 DECDHN C[C@@H]([NH2+]CC(=O)NCC(=O)c1cccs1)c1ccccc1[O-] ZINC000879648583 690699432 /nfs/dbraw/zinc/69/94/32/690699432.db2.gz VCFYWXOZLNVMMW-LLVKDONJSA-N 0 3 318.398 2.103 20 10 DECDHN CC(C)CN1CC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039061123 691006269 /nfs/dbraw/zinc/00/62/69/691006269.db2.gz PKNCRJDKINBBFY-CQSZACIVSA-N 0 3 317.393 2.309 20 10 DECDHN CC(C)CN1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039061121 691006437 /nfs/dbraw/zinc/00/64/37/691006437.db2.gz PKNCRJDKINBBFY-AWEZNQCLSA-N 0 3 317.393 2.309 20 10 DECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](O)c2ccnn2C)c1[O-] ZINC000927132733 693558865 /nfs/dbraw/zinc/55/88/65/693558865.db2.gz WPYCSBHRKOWIPN-QMTHXVAHSA-N 0 3 309.797 2.472 20 10 DECDHN CN(C)c1cc(F)c(CNCC2([S@](C)=O)CCC2)cc1F ZINC001118859444 795233952 /nfs/dbraw/zinc/23/39/52/795233952.db2.gz JEBRYRQGQXQJGA-NRFANRHFSA-N 0 3 316.417 2.422 20 10 DECDHN CCCNC(=O)CN(CCC)Cc1c(C)cc(OC)cc1O ZINC001180166737 795253841 /nfs/dbraw/zinc/25/38/41/795253841.db2.gz SMXLBRPZQAJWEU-UHFFFAOYSA-N 0 3 308.422 2.447 20 10 DECDHN CN(C)C(=O)[C@H]1CC12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001140054436 796470837 /nfs/dbraw/zinc/47/08/37/796470837.db2.gz QERFRRNOIKLJFE-CQSZACIVSA-N 0 3 306.381 2.222 20 10 DECDHN OC1CCN(c2ccc(CN3CC[C@]34CCOC4)cc2)CC1 ZINC001140287358 796502769 /nfs/dbraw/zinc/50/27/69/796502769.db2.gz QPFVAVGGJCOHEH-GOSISDBHSA-N 0 3 302.418 2.013 20 10 DECDHN COC(=O)[C@]1(C)CCC[N@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141028810 796620704 /nfs/dbraw/zinc/62/07/04/796620704.db2.gz ARKAJMYFMFWYMM-QGZVFWFLSA-N 0 3 323.389 2.185 20 10 DECDHN COC(=O)[C@]1(C)CCC[N@@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141028810 796620705 /nfs/dbraw/zinc/62/07/05/796620705.db2.gz ARKAJMYFMFWYMM-QGZVFWFLSA-N 0 3 323.389 2.185 20 10 DECDHN COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141029326 796620853 /nfs/dbraw/zinc/62/08/53/796620853.db2.gz PRFLWHLODVBAPH-VXGBXAGGSA-N 0 3 323.389 2.040 20 10 DECDHN COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141029326 796620858 /nfs/dbraw/zinc/62/08/58/796620858.db2.gz PRFLWHLODVBAPH-VXGBXAGGSA-N 0 3 323.389 2.040 20 10 DECDHN COc1cccnc1O[C@@H]1CCN(Cc2cc(O)ccc2O)C1 ZINC001141163128 796644430 /nfs/dbraw/zinc/64/44/30/796644430.db2.gz QGFCXHQQRQRHCZ-CQSZACIVSA-N 0 3 316.357 2.155 20 10 DECDHN O=C1N(c2cccnc2)CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203556977 800077920 /nfs/dbraw/zinc/07/79/20/800077920.db2.gz YJUNSECGZCVPNP-UHFFFAOYSA-N 0 3 323.396 2.416 20 10 DECDHN CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3ccccc3[O-])C[C@@H]21 ZINC001203560838 800080593 /nfs/dbraw/zinc/08/05/93/800080593.db2.gz HJDUVUSURBDXDM-KGLIPLIRSA-N 0 3 304.390 2.443 20 10 DECDHN CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3[O-])C[C@@H]21 ZINC001203560838 800080601 /nfs/dbraw/zinc/08/06/01/800080601.db2.gz HJDUVUSURBDXDM-KGLIPLIRSA-N 0 3 304.390 2.443 20 10 DECDHN CCO[C@@H]1C[N@H+](Cc2ccc(OC)cc2[O-])[C@@H]2CCCO[C@H]12 ZINC001203621628 800091141 /nfs/dbraw/zinc/09/11/41/800091141.db2.gz FHMORWCIMUWKSU-OIISXLGYSA-N 0 3 307.390 2.169 20 10 DECDHN CCO[C@@H]1C[N@@H+](Cc2ccc(OC)cc2[O-])[C@@H]2CCCO[C@H]12 ZINC001203621628 800091150 /nfs/dbraw/zinc/09/11/50/800091150.db2.gz FHMORWCIMUWKSU-OIISXLGYSA-N 0 3 307.390 2.169 20 10 DECDHN O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204274101 800197668 /nfs/dbraw/zinc/19/76/68/800197668.db2.gz IKSDCEYMZGNLDV-SFHVURJKSA-N 0 3 310.353 2.194 20 10 DECDHN O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204274101 800197672 /nfs/dbraw/zinc/19/76/72/800197672.db2.gz IKSDCEYMZGNLDV-SFHVURJKSA-N 0 3 310.353 2.194 20 10 DECDHN COc1cc([O-])c(CN2CCC(F)(F)[C@@H](C[NH3+])C2)cc1Cl ZINC001205777124 800417921 /nfs/dbraw/zinc/41/79/21/800417921.db2.gz AJNZBPNKVQNQBZ-JTQLQIEISA-N 0 3 320.767 2.470 20 10 DECDHN COc1cc([O-])c(CN2CCC(F)(F)[C@H](C[NH3+])C2)c(Cl)c1 ZINC001205789333 800420954 /nfs/dbraw/zinc/42/09/54/800420954.db2.gz YFNJVDKLTMVOJO-SECBINFHSA-N 0 3 320.767 2.470 20 10 DECDHN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1C[C@H](C)CC[C@@H]1CN ZINC001205819415 800427322 /nfs/dbraw/zinc/42/73/22/800427322.db2.gz XQLYIBAEWKNZOL-DGCLKSJQSA-N 0 3 316.401 2.366 20 10 DECDHN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1C[C@H](C)CC[C@@H]1CN ZINC001205819415 800427328 /nfs/dbraw/zinc/42/73/28/800427328.db2.gz XQLYIBAEWKNZOL-DGCLKSJQSA-N 0 3 316.401 2.366 20 10 DECDHN COc1cc(CN2CC[C@]3(C2)CC(F)(F)CO3)c(O)cc1O ZINC001231637129 801700057 /nfs/dbraw/zinc/70/00/57/801700057.db2.gz FIYFBEYPWVJBMB-CQSZACIVSA-N 0 3 315.316 2.107 20 10 DECDHN COc1cc(CN2CC[C@@H](Oc3ccncc3)C2)c(O)cc1O ZINC001231637582 801701586 /nfs/dbraw/zinc/70/15/86/801701586.db2.gz NIHMKYTVTSYQGO-CQSZACIVSA-N 0 3 316.357 2.155 20 10 DECDHN COc1cc(CN(C)Cc2ccc3c(c2)OCO3)c(O)cc1O ZINC001231638233 801702374 /nfs/dbraw/zinc/70/23/74/801702374.db2.gz WWKCRLIQGPXVPM-UHFFFAOYSA-N 0 3 317.341 2.467 20 10 DECDHN COC[C@H]1Cn2nccc2CN(Cc2c(C)cc(C)cc2O)C1 ZINC001231845516 801735820 /nfs/dbraw/zinc/73/58/20/801735820.db2.gz NSGJOWWXFBFMSW-OAHLLOKOSA-N 0 3 315.417 2.484 20 10 DECDHN C[N@H+]1C[C@H]2CN(Cc3cccc(C(F)(F)F)c3[O-])C[C@H]2C1 ZINC001233418722 802111208 /nfs/dbraw/zinc/11/12/08/802111208.db2.gz SKSKMEGNQCAESA-TXEJJXNPSA-N 0 3 300.324 2.404 20 10 DECDHN C[N@@H+]1C[C@H]2CN(Cc3cccc(C(F)(F)F)c3[O-])C[C@H]2C1 ZINC001233418722 802111211 /nfs/dbraw/zinc/11/12/11/802111211.db2.gz SKSKMEGNQCAESA-TXEJJXNPSA-N 0 3 300.324 2.404 20 10 DECDHN CC(C)(C)OC(=O)C[C@H]1CCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233486979 802127162 /nfs/dbraw/zinc/12/71/62/802127162.db2.gz KHYKEGXEUYYZRO-LLVKDONJSA-N 0 3 323.389 2.357 20 10 DECDHN Cc1cnccc1O[C@H]1CCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233487724 802129436 /nfs/dbraw/zinc/12/94/36/802129436.db2.gz PPZWUSCZPCNJQJ-ZDUSSCGKSA-N 0 3 316.357 2.160 20 10 DECDHN C[C@@H]1C[C@@H](Oc2cccc3c2C(=O)c2cccc([O-])c2C3=O)C[NH2+]1 ZINC001218039404 802135886 /nfs/dbraw/zinc/13/58/86/802135886.db2.gz KMBQLQVPHSIEKT-GHMZBOCLSA-N 0 3 323.348 2.297 20 10 DECDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001465900112 1059381470 /nfs/dbraw/zinc/38/14/70/1059381470.db2.gz NQQGATRHLYQTCH-IINYFYTJSA-N 0 3 315.377 2.062 20 10 DECDHN C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1ccc(Br)cc1[O-] ZINC001578734091 1067156437 /nfs/dbraw/zinc/15/64/37/1067156437.db2.gz BXJKAMPIKGCTFA-RYUDHWBXSA-N 0 3 317.202 2.287 20 10 DECDHN CC[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H](C)N1 ZINC001641293365 1078703431 /nfs/dbraw/zinc/70/34/31/1078703431.db2.gz KXWGMILUVBGDBR-CMPLNLGQSA-N 0 3 303.366 2.062 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@@H]([S@](C)=O)C2)c1[O-] ZINC001665837439 1081089063 /nfs/dbraw/zinc/08/90/63/1081089063.db2.gz PHRMLYBXKLHYJT-HTGLOVNISA-N 0 3 317.838 2.443 20 10 DECDHN CN(C)c1ccc(CN2CC[C@@H]3C[C@@]32C(=O)N2CC=CC2)cc1 ZINC001276958626 1083699939 /nfs/dbraw/zinc/69/99/39/1083699939.db2.gz RQXUKOAYPMBAAT-APWZRJJASA-N 0 3 311.429 2.115 20 10 DECDHN CN(C)c1ccc(CN2CC[C@H]3C[C@]32C(=O)N2CC=CC2)cc1 ZINC001276958628 1083700794 /nfs/dbraw/zinc/70/07/94/1083700794.db2.gz RQXUKOAYPMBAAT-QFBILLFUSA-N 0 3 311.429 2.115 20 10 DECDHN CCN(C(=O)[C@@]12C[C@@H]1C[N@H+](Cc1ccc(O)cc1[O-])C2)C(C)C ZINC001277192458 1083839683 /nfs/dbraw/zinc/83/96/83/1083839683.db2.gz OJQLEWACRNMVRM-RDTXWAMCSA-N 0 3 318.417 2.177 20 10 DECDHN CCN(C(=O)[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(O)cc1[O-])C2)C(C)C ZINC001277192458 1083839689 /nfs/dbraw/zinc/83/96/89/1083839689.db2.gz OJQLEWACRNMVRM-RDTXWAMCSA-N 0 3 318.417 2.177 20 10 DECDHN O=C(NCC(F)F)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccccc1[O-] ZINC001277442769 1083973596 /nfs/dbraw/zinc/97/35/96/1083973596.db2.gz ZIGXEFUFLGKENU-LZJQFABFSA-N 0 3 324.371 2.278 20 10 DECDHN COc1ccc(O)c([C@@H](C)NCc2c3c(nn2C)CCOC3)c1 ZINC000922217996 1085851765 /nfs/dbraw/zinc/85/17/65/1085851765.db2.gz ZADQLCGLXJLAEU-LLVKDONJSA-N 0 3 317.389 2.058 20 10 DECDHN COc1cc(O)c(CN2CCc3c(cc[nH]c3=O)C2)cc1OC ZINC001236757935 1138411536 /nfs/dbraw/zinc/41/15/36/1138411536.db2.gz RLMUPHLXSMGLGZ-UHFFFAOYSA-N 0 3 316.357 2.068 20 10 DECDHN CCOC(=O)[C@@H]1CN(Cc2ccc(CC)cc2O)CCS1 ZINC001236787690 1138427884 /nfs/dbraw/zinc/42/78/84/1138427884.db2.gz JXYCBJKZLGLMNM-HNNXBMFYSA-N 0 3 309.431 2.435 20 10 DECDHN CCOc1ccc(C[NH+]2CCC3(CCC(=O)N3)CC2)c([O-])c1 ZINC001237046985 1138488200 /nfs/dbraw/zinc/48/82/00/1138488200.db2.gz JBYIQRYCUCYPRR-UHFFFAOYSA-N 0 3 304.390 2.036 20 10 DECDHN COC(=O)CC[N@H+](C)Cc1c([O-])cccc1OC(F)(F)F ZINC001237116128 1138507064 /nfs/dbraw/zinc/50/70/64/1138507064.db2.gz XOVPGZWBMLEZGM-UHFFFAOYSA-N 0 3 307.268 2.286 20 10 DECDHN COC(=O)CC[N@@H+](C)Cc1c([O-])cccc1OC(F)(F)F ZINC001237116128 1138507066 /nfs/dbraw/zinc/50/70/66/1138507066.db2.gz XOVPGZWBMLEZGM-UHFFFAOYSA-N 0 3 307.268 2.286 20 10 DECDHN COC(=O)CCN(C)Cc1c(O)cccc1OC(F)(F)F ZINC001237116128 1138507070 /nfs/dbraw/zinc/50/70/70/1138507070.db2.gz XOVPGZWBMLEZGM-UHFFFAOYSA-N 0 3 307.268 2.286 20 10 DECDHN Cc1cccc([O-])c1C[NH+]1CCC2(C[C@@H]2C(=O)N(C)C)CC1 ZINC001237488031 1138654422 /nfs/dbraw/zinc/65/44/22/1138654422.db2.gz HOGSZZORYYDDJD-OAHLLOKOSA-N 0 3 302.418 2.391 20 10 DECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H]2CCN(c3ncccn3)C[C@H]2C1 ZINC001237486130 1138654858 /nfs/dbraw/zinc/65/48/58/1138654858.db2.gz OCDFCMVASFWINI-HZPDHXFCSA-N 0 3 324.428 2.449 20 10 DECDHN Cc1cccc([O-])c1C[N@H+]1C[C@H]2CCN(c3ncccn3)C[C@H]2C1 ZINC001237486130 1138654866 /nfs/dbraw/zinc/65/48/66/1138654866.db2.gz OCDFCMVASFWINI-HZPDHXFCSA-N 0 3 324.428 2.449 20 10 DECDHN COc1cccc(N2CCN(Cc3c(C)cccc3O)CC2)n1 ZINC001237491034 1138655616 /nfs/dbraw/zinc/65/56/16/1138655616.db2.gz FIRRBCVZBXKHJJ-UHFFFAOYSA-N 0 3 313.401 2.426 20 10 DECDHN Cc1cc(CN2C[C@H](C)[C@H](O)C2)c(O)cc1Br ZINC001250120632 1142085040 /nfs/dbraw/zinc/08/50/40/1142085040.db2.gz LEFVCKBKFPQRPG-TVQRCGJNSA-N 0 3 300.196 2.276 20 10 DECDHN Cc1cc(C[N@H+]2C[C@H](C)[C@H](O)C2)c([O-])cc1Br ZINC001250120632 1142085049 /nfs/dbraw/zinc/08/50/49/1142085049.db2.gz LEFVCKBKFPQRPG-TVQRCGJNSA-N 0 3 300.196 2.276 20 10 DECDHN Cc1cc(C[N@@H+]2C[C@H](C)[C@H](O)C2)c([O-])cc1Br ZINC001250120632 1142085059 /nfs/dbraw/zinc/08/50/59/1142085059.db2.gz LEFVCKBKFPQRPG-TVQRCGJNSA-N 0 3 300.196 2.276 20 10 DECDHN Nc1ccc(CNC(=O)NC[C@@H]2CCCCN2C2CC2)cc1 ZINC001338595834 1142865542 /nfs/dbraw/zinc/86/55/42/1142865542.db2.gz OHWDXNBDWQPJKS-INIZCTEOSA-N 0 3 302.422 2.085 20 10 DECDHN O=C(NCc1c([O-])cccc1F)c1cc2c(s1)C[NH2+]CC2 ZINC001341124784 1143545511 /nfs/dbraw/zinc/54/55/11/1143545511.db2.gz RQJZLJMUICYENF-UHFFFAOYSA-N 0 3 306.362 2.169 20 10 DECDHN O=C(NCc1c(O)cccc1F)c1cc2c(s1)CNCC2 ZINC001341124784 1143545525 /nfs/dbraw/zinc/54/55/25/1143545525.db2.gz RQJZLJMUICYENF-UHFFFAOYSA-N 0 3 306.362 2.169 20 10 DECDHN O=C1OCCN1[C@@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001261673453 1144265418 /nfs/dbraw/zinc/26/54/18/1144265418.db2.gz UXGJBLOZXMMXNT-QGZVFWFLSA-N 0 3 315.417 2.313 20 10 DECDHN C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)N1CCCCC1 ZINC001306422773 1147383057 /nfs/dbraw/zinc/38/30/57/1147383057.db2.gz QMTNWQNQVZJDIA-LBPRGKRZSA-N 0 3 317.393 2.453 20 10 DECDHN C[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)C(=O)NCC(F)(F)F ZINC001326624168 1148168877 /nfs/dbraw/zinc/16/88/77/1148168877.db2.gz YMQWRFLPZLYJRT-SCZZXKLOSA-N 0 3 302.296 2.036 20 10 DECDHN CN(C)c1ccc(CN(C(=O)[C@H]2CCCN2C)C2CC2)cc1 ZINC000264973959 282288981 /nfs/dbraw/zinc/28/89/81/282288981.db2.gz HANSCJAUDKFKCH-QGZVFWFLSA-N 0 3 301.434 2.338 20 10 DECDHN CCOc1cccc(C[NH+]2CCC(c3nncn3C)CC2)c1[O-] ZINC000091795088 193109750 /nfs/dbraw/zinc/10/97/50/193109750.db2.gz XKAHZWVVFKKUPT-UHFFFAOYSA-N 0 3 316.405 2.299 20 10 DECDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272621341 130046588 /nfs/dbraw/zinc/04/65/88/130046588.db2.gz IVSHXTXNZTYMPN-VUDGCMKMSA-N 0 3 318.417 2.300 20 10 DECDHN C[C@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccccc1[O-] ZINC000272818069 130065984 /nfs/dbraw/zinc/06/59/84/130065984.db2.gz FGEOAXJFKTXUHB-AWEZNQCLSA-N 0 3 313.401 2.475 20 10 DECDHN CCN1CC[C@@H](C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])C1 ZINC000273303911 130105522 /nfs/dbraw/zinc/10/55/22/130105522.db2.gz CGPJAMAWEINYSQ-OLZOCXBDSA-N 0 3 306.406 2.171 20 10 DECDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC(C)(C)CN(C)C)c1 ZINC000273362496 130111557 /nfs/dbraw/zinc/11/15/57/130111557.db2.gz DFAJSNYTFDHCNP-LBPRGKRZSA-N 0 3 308.422 2.417 20 10 DECDHN Oc1ccc(F)cc1CNCc1cccc(N2CCOCC2)n1 ZINC000274935373 130275063 /nfs/dbraw/zinc/27/50/63/130275063.db2.gz PKUSDDFZVQBKLP-UHFFFAOYSA-N 0 3 317.364 2.053 20 10 DECDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2C)c1 ZINC000275618093 130350639 /nfs/dbraw/zinc/35/06/39/130350639.db2.gz RJLHRJPUWZXQNG-HOCLYGCPSA-N 0 3 301.390 2.444 20 10 DECDHN CCCOc1ccc(C[N@@H+]2CC[C@@H]3OCCN(C)[C@H]3C2)c([O-])c1 ZINC000284311232 131068829 /nfs/dbraw/zinc/06/88/29/131068829.db2.gz JLKXPDHFOWVVBK-WMZOPIPTSA-N 0 3 320.433 2.086 20 10 DECDHN CCCOc1ccc(C[N@H+]2CC[C@@H]3OCCN(C)[C@H]3C2)c([O-])c1 ZINC000284311232 131068830 /nfs/dbraw/zinc/06/88/30/131068830.db2.gz JLKXPDHFOWVVBK-WMZOPIPTSA-N 0 3 320.433 2.086 20 10 DECDHN CCCOc1ccc(CN2CCN(C[C@@H](C)O)C[C@H]2C)c(O)c1 ZINC000284471855 131083097 /nfs/dbraw/zinc/08/30/97/131083097.db2.gz VVOOGRQUIGISLL-HUUCEWRRSA-N 0 3 322.449 2.068 20 10 DECDHN CCCOc1ccc(CN2CCN(C[C@@H](C)O)C[C@@H]2C)c(O)c1 ZINC000284471861 131083458 /nfs/dbraw/zinc/08/34/58/131083458.db2.gz VVOOGRQUIGISLL-LSDHHAIUSA-N 0 3 322.449 2.068 20 10 DECDHN C[C@@H]1C[C@@H](N2CCOCC2)CN1Cc1ccc(N(C)C)cc1 ZINC000285835493 131204130 /nfs/dbraw/zinc/20/41/30/131204130.db2.gz HKNPTSSTSWYCBH-CRAIPNDOSA-N 0 3 303.450 2.048 20 10 DECDHN C[N@H+](Cc1ccccc1[O-])C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000289351820 131377059 /nfs/dbraw/zinc/37/70/59/131377059.db2.gz LCLZOAHSFYLASM-KRWDZBQOSA-N 0 3 324.421 2.100 20 10 DECDHN C[N@@H+](Cc1ccccc1[O-])C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000289351820 131377061 /nfs/dbraw/zinc/37/70/61/131377061.db2.gz LCLZOAHSFYLASM-KRWDZBQOSA-N 0 3 324.421 2.100 20 10 DECDHN CCN1CCCC[C@@H]1CNC(=O)N(C)Cc1ccccc1O ZINC000111884019 401726926 /nfs/dbraw/zinc/72/69/26/401726926.db2.gz USLPLEPKBRCOAH-OAHLLOKOSA-N 0 3 305.422 2.408 20 10 DECDHN COc1ccc([O-])c(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000132712074 401872139 /nfs/dbraw/zinc/87/21/39/401872139.db2.gz WLJBISKZWOIVFM-ZDUSSCGKSA-N 0 3 322.405 2.500 20 10 DECDHN CCN(CCC[NH2+][C@H](C)c1cc(C)ccc1[O-])S(C)(=O)=O ZINC000038035534 401921382 /nfs/dbraw/zinc/92/13/82/401921382.db2.gz VLABITOSWHARGJ-CYBMUJFWSA-N 0 3 314.451 2.023 20 10 DECDHN CCN(Cc1cc(Br)ccc1O)C(=O)C(C)(C)N ZINC000121491848 402039688 /nfs/dbraw/zinc/03/96/88/402039688.db2.gz HUBQZKKPDZDNGM-UHFFFAOYSA-N 0 3 315.211 2.241 20 10 DECDHN CCOC(=O)CCN1CCCN(c2ccc(OC)cc2)CC1 ZINC000055059250 402074743 /nfs/dbraw/zinc/07/47/43/402074743.db2.gz ZQTVTZGTVHCEAP-UHFFFAOYSA-N 0 3 306.406 2.161 20 10 DECDHN COc1cccc(CN2CCCN(C(=O)C(C)C)CC2)c1O ZINC000123590045 402136586 /nfs/dbraw/zinc/13/65/86/402136586.db2.gz ZDIXIUXUOQPNKG-UHFFFAOYSA-N 0 3 306.406 2.091 20 10 DECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCc2cccc(C(N)=O)c2)c1 ZINC000185983520 402395198 /nfs/dbraw/zinc/39/51/98/402395198.db2.gz GXHRNMSDKAAINZ-GFCCVEGCSA-N 0 3 314.385 2.393 20 10 DECDHN COc1cccc(CNC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)c1O ZINC000247235919 402560863 /nfs/dbraw/zinc/56/08/63/402560863.db2.gz RTSKKEHBDINXOA-FRRDWIJNSA-N 0 3 306.406 2.278 20 10 DECDHN COc1cc(N2CCN(CC(C)C)CC2)cc(OC)c1OC ZINC000183700475 402789832 /nfs/dbraw/zinc/78/98/32/402789832.db2.gz SEUNPTOOPMPIMC-UHFFFAOYSA-N 0 3 308.422 2.490 20 10 DECDHN COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183667934 402787174 /nfs/dbraw/zinc/78/71/74/402787174.db2.gz XVRXIYNFSGBYMK-ZFWWWQNUSA-N 0 3 308.422 2.220 20 10 DECDHN OCC[C@]1(NCc2ccc(N3CCCCC3)cc2)CCOC1 ZINC000278541189 402868043 /nfs/dbraw/zinc/86/80/43/402868043.db2.gz XLHJAIWYMJXAKK-SFHVURJKSA-N 0 3 304.434 2.308 20 10 DECDHN COc1ccc(O)c(CN2CCN(C3CCOCC3)C[C@@H]2C)c1 ZINC000278607952 402869137 /nfs/dbraw/zinc/86/91/37/402869137.db2.gz JHVCMHNHLMYQHM-AWEZNQCLSA-N 0 3 320.433 2.086 20 10 DECDHN CCCOc1ccc(C[NH2+][C@@H](COC)[C@@H]2CCCO2)c([O-])c1 ZINC000278733450 402870230 /nfs/dbraw/zinc/87/02/30/402870230.db2.gz UPQFXZZIXRMXIB-RDJZCZTQSA-N 0 3 309.406 2.465 20 10 DECDHN COc1c([O-])c(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000278948913 402889483 /nfs/dbraw/zinc/88/94/83/402889483.db2.gz YZLBMJUNQBVQPO-STQMWFEESA-N 0 3 321.377 2.025 20 10 DECDHN COc1c([O-])c(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000278948913 402889484 /nfs/dbraw/zinc/88/94/84/402889484.db2.gz YZLBMJUNQBVQPO-STQMWFEESA-N 0 3 321.377 2.025 20 10 DECDHN CCN(CC)c1ccc(CNCC2(S(C)(=O)=O)CC2)cc1 ZINC000279833033 402962766 /nfs/dbraw/zinc/96/27/66/402962766.db2.gz QLBOJTKNQYTEQT-UHFFFAOYSA-N 0 3 310.463 2.200 20 10 DECDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000268096029 403048279 /nfs/dbraw/zinc/04/82/79/403048279.db2.gz CTSQMPAVAKGBAF-GUYCJALGSA-N 0 3 316.449 2.035 20 10 DECDHN CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000281278486 403062603 /nfs/dbraw/zinc/06/26/03/403062603.db2.gz OEWKULWNJRCMHE-SFHVURJKSA-N 0 3 321.417 2.492 20 10 DECDHN CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000281278486 403062606 /nfs/dbraw/zinc/06/26/06/403062606.db2.gz OEWKULWNJRCMHE-SFHVURJKSA-N 0 3 321.417 2.492 20 10 DECDHN CCN(C)c1ccc([C@H](C)NC[C@H](O)c2cnn(C)c2)cc1 ZINC000268926000 403121475 /nfs/dbraw/zinc/12/14/75/403121475.db2.gz WAMHFEVACCZEDX-GUYCJALGSA-N 0 3 302.422 2.260 20 10 DECDHN CC(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000269045972 403123177 /nfs/dbraw/zinc/12/31/77/403123177.db2.gz NJAOOIDBOZTFLQ-IRXDYDNUSA-N 0 3 323.433 2.159 20 10 DECDHN CC(C)OC[C@@H](O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000269045972 403123180 /nfs/dbraw/zinc/12/31/80/403123180.db2.gz NJAOOIDBOZTFLQ-IRXDYDNUSA-N 0 3 323.433 2.159 20 10 DECDHN OC1CCN(c2ccc(CNCC3=CCCOC3)cc2F)CC1 ZINC000269293017 403128802 /nfs/dbraw/zinc/12/88/02/403128802.db2.gz OUGLHXIDWNKLAS-UHFFFAOYSA-N 0 3 320.408 2.223 20 10 DECDHN CCOCC[C@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000277623615 403238295 /nfs/dbraw/zinc/23/82/95/403238295.db2.gz GLOUSMQICBSXRL-IRXDYDNUSA-N 0 3 323.433 2.161 20 10 DECDHN CCOCC[C@H](O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000277623615 403238297 /nfs/dbraw/zinc/23/82/97/403238297.db2.gz GLOUSMQICBSXRL-IRXDYDNUSA-N 0 3 323.433 2.161 20 10 DECDHN CCOc1ccc(O)c(CN[C@@H](CC(N)=O)c2ccccc2)c1 ZINC000292962647 403384214 /nfs/dbraw/zinc/38/42/14/403384214.db2.gz JQNDESKHYODXAC-INIZCTEOSA-N 0 3 314.385 2.497 20 10 DECDHN Cc1cc(CN2CCC[C@H]2C(=O)NC2CC2)ccc1N(C)C ZINC000292973343 403385516 /nfs/dbraw/zinc/38/55/16/403385516.db2.gz DPXPEZGZSGCHDN-KRWDZBQOSA-N 0 3 301.434 2.304 20 10 DECDHN COc1ccc([O-])c(C[N@H+](C)C[C@@H](O)Cc2ccccc2)c1 ZINC000293892439 403592152 /nfs/dbraw/zinc/59/21/52/403592152.db2.gz KLWIGKSCKDFKAB-INIZCTEOSA-N 0 3 301.386 2.436 20 10 DECDHN COc1ccc([O-])c(C[N@@H+](C)C[C@@H](O)Cc2ccccc2)c1 ZINC000293892439 403592154 /nfs/dbraw/zinc/59/21/54/403592154.db2.gz KLWIGKSCKDFKAB-INIZCTEOSA-N 0 3 301.386 2.436 20 10 DECDHN COc1cc([O-])c(C[N@H+](C)C2CCC(CO)CC2)cc1OC ZINC000290665226 404263308 /nfs/dbraw/zinc/26/33/08/404263308.db2.gz ZYLVPVAFCSBTDC-UHFFFAOYSA-N 0 3 309.406 2.392 20 10 DECDHN COc1cc([O-])c(C[N@@H+](C)C2CCC(CO)CC2)cc1OC ZINC000290665226 404263314 /nfs/dbraw/zinc/26/33/14/404263314.db2.gz ZYLVPVAFCSBTDC-UHFFFAOYSA-N 0 3 309.406 2.392 20 10 DECDHN COc1cc([O-])c(C[NH2+][C@H](C2CC2)C(C)(C)CO)cc1OC ZINC000290774113 404308004 /nfs/dbraw/zinc/30/80/04/404308004.db2.gz CIPDWLSYKIVZSF-MRXNPFEDSA-N 0 3 309.406 2.296 20 10 DECDHN CCOc1cccc(CN2CCC(F)(F)[C@@H](CO)C2)c1O ZINC000291182651 404376146 /nfs/dbraw/zinc/37/61/46/404376146.db2.gz FTRPBTKFIYSQEY-GFCCVEGCSA-N 0 3 301.333 2.240 20 10 DECDHN COc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccncc2)c([O-])c1 ZINC000365559168 404690506 /nfs/dbraw/zinc/69/05/06/404690506.db2.gz HBEWFQSJKCFKON-UHFFFAOYSA-N 0 3 324.384 2.486 20 10 DECDHN Cc1cccc(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)c1[O-] ZINC000369139698 227025525 /nfs/dbraw/zinc/02/55/25/227025525.db2.gz KMDQVLIJWZLNQF-INIZCTEOSA-N 0 3 301.390 2.369 20 10 DECDHN Cc1ccc(C(=O)N2CCCC3(CC[NH+](C)CC3)C2)c([O-])c1O ZINC000374104851 227125106 /nfs/dbraw/zinc/12/51/06/227125106.db2.gz GAEMYYQQFLNZBV-UHFFFAOYSA-N 0 3 318.417 2.354 20 10 DECDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)cc1C ZINC000377173744 227183211 /nfs/dbraw/zinc/18/32/11/227183211.db2.gz BBUFGILEMZVXSR-OAHLLOKOSA-N 0 3 302.418 2.453 20 10 DECDHN Cc1cc([O-])c(C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)cc1C ZINC000377173744 227183216 /nfs/dbraw/zinc/18/32/16/227183216.db2.gz BBUFGILEMZVXSR-OAHLLOKOSA-N 0 3 302.418 2.453 20 10 DECDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000378418182 227212335 /nfs/dbraw/zinc/21/23/35/227212335.db2.gz COKIULPRUVMTGB-PBHICJAKSA-N 0 3 307.390 2.219 20 10 DECDHN CC[C@@H]([NH2+][C@H](C)c1ccc(C)c(C)c1[O-])C(=O)N1CCOCC1 ZINC000273559629 273723163 /nfs/dbraw/zinc/72/31/63/273723163.db2.gz HVVAAZPLSZVDNU-GDBMZVCRSA-N 0 3 320.433 2.297 20 10 DECDHN CC(C)[C@H](C(=O)NCCc1ccc(N)cc1)N1CCCCC1 ZINC000236806691 276012692 /nfs/dbraw/zinc/01/26/92/276012692.db2.gz VBIUCHNPGLNPFF-QGZVFWFLSA-N 0 3 303.450 2.438 20 10 DECDHN O=C(c1cccc(O)c1[O-])N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000189525655 280209018 /nfs/dbraw/zinc/20/90/18/280209018.db2.gz DYCUUAPCTYIUCV-IUODEOHRSA-N 0 3 316.401 2.187 20 10 DECDHN O=C(c1cccc(O)c1[O-])N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000189525655 280209021 /nfs/dbraw/zinc/20/90/21/280209021.db2.gz DYCUUAPCTYIUCV-IUODEOHRSA-N 0 3 316.401 2.187 20 10 DECDHN CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000182525274 520739171 /nfs/dbraw/zinc/73/91/71/520739171.db2.gz HYIZONGMVOAXMK-CYBMUJFWSA-N 0 3 306.406 2.210 20 10 DECDHN CN(C)c1ccc(CN2CC[C@@H](CN3CCOCC3)C2)cc1F ZINC000130994602 522182278 /nfs/dbraw/zinc/18/22/78/522182278.db2.gz PTDCINNTSAPPHH-INIZCTEOSA-N 0 3 321.440 2.046 20 10 DECDHN CC[C@H](NCC(=O)NCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000160572016 522566622 /nfs/dbraw/zinc/56/66/22/522566622.db2.gz MCBOTOCEVRLXIG-ZDUSSCGKSA-N 0 3 317.355 2.472 20 10 DECDHN COc1ccc(N2CCN(CCn3ccnc3C)CC2)cc1F ZINC000270818948 524425728 /nfs/dbraw/zinc/42/57/28/524425728.db2.gz ASCCBPCIJVREEC-UHFFFAOYSA-N 0 3 318.396 2.161 20 10 DECDHN C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2O)CN1C1CC1 ZINC000130694639 525253596 /nfs/dbraw/zinc/25/35/96/525253596.db2.gz ASZPGXIJGABGPY-TZMCWYRMSA-N 0 3 303.406 2.159 20 10 DECDHN Cc1cc(C(=O)N2C[C@H](C)NC[C@H]2C)c(C)n1-c1ccccn1 ZINC000237533013 526262394 /nfs/dbraw/zinc/26/23/94/526262394.db2.gz BXCYTXMISLFAAQ-GXTWGEPZSA-N 0 3 312.417 2.312 20 10 DECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000180086877 526348203 /nfs/dbraw/zinc/34/82/03/526348203.db2.gz NDHWDRRASKLMRY-GFCCVEGCSA-N 0 3 316.380 2.449 20 10 DECDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000180086877 526348209 /nfs/dbraw/zinc/34/82/09/526348209.db2.gz NDHWDRRASKLMRY-GFCCVEGCSA-N 0 3 316.380 2.449 20 10 DECDHN COC(=O)N1CCC([NH2+][C@@H](C)c2cc(OC)ccc2[O-])CC1 ZINC000273383994 536412099 /nfs/dbraw/zinc/41/20/99/536412099.db2.gz IYOZGUWKNRTXJJ-NSHDSACASA-N 0 3 308.378 2.282 20 10 DECDHN C[C@H](O)CN1CCN(C/C=C/c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000835054842 649873022 /nfs/dbraw/zinc/87/30/22/649873022.db2.gz RTGCRKJJRAAQAU-CSLAMCDYSA-N 0 3 317.477 2.153 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)NCCC2CC2)N(C)C)cc1 ZINC000893296717 625415018 /nfs/dbraw/zinc/41/50/18/625415018.db2.gz ZNWFWXMVPDSYJF-KRWDZBQOSA-N 0 3 318.465 2.455 20 10 DECDHN CCS(=O)(=O)CCC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000840889577 625435761 /nfs/dbraw/zinc/43/57/61/625435761.db2.gz RWKIDNKWFDZPKK-JQWIXIFHSA-N 0 3 315.410 2.494 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCC=CO2)N(C)C)cc1 ZINC000891247185 623791915 /nfs/dbraw/zinc/79/19/15/623791915.db2.gz GSYRLZPMJAHGBX-IAGOWNOFSA-N 0 3 317.433 2.164 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)C2=COCCC2)N(C)C)cc1 ZINC000891251042 623797692 /nfs/dbraw/zinc/79/76/92/623797692.db2.gz CJCQLNIZULKKTE-KRWDZBQOSA-N 0 3 317.433 2.166 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCS2)N(C)C)cc1 ZINC000891253085 623798204 /nfs/dbraw/zinc/79/82/04/623798204.db2.gz QKBSIFJPNLZMNE-HOTGVXAUSA-N 0 3 321.490 2.367 20 10 DECDHN Cc1ocnc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254802 623801617 /nfs/dbraw/zinc/80/16/17/623801617.db2.gz JWGOHORLFZZLIE-HNNXBMFYSA-N 0 3 316.405 2.082 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)c2ccoc2)N(C)C)cc1 ZINC000891255195 623801896 /nfs/dbraw/zinc/80/18/96/623801896.db2.gz NQJZAOUGEJCNMT-INIZCTEOSA-N 0 3 301.390 2.378 20 10 DECDHN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCN(C3CC3)C2)cc1 ZINC000734286018 633356152 /nfs/dbraw/zinc/35/61/52/633356152.db2.gz XWZDNFKARMHQHA-OAHLLOKOSA-N 0 3 316.449 2.131 20 10 DECDHN CN1CCCc2cc(CNCc3cnc4n3CCOC4)ccc21 ZINC000921625812 633822108 /nfs/dbraw/zinc/82/21/08/633822108.db2.gz RJKWYWMGXNORCG-UHFFFAOYSA-N 0 3 312.417 2.086 20 10 DECDHN COc1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2O)c([O-])c1 ZINC000894185515 636398429 /nfs/dbraw/zinc/39/84/29/636398429.db2.gz PPVPJJPXERLEOK-UHFFFAOYSA-N 0 3 319.357 2.413 20 10 DECDHN COC(=O)[C@H]1[C@@H](CNCc2ccc(N(C)C)c(F)c2)C1(F)F ZINC000894207993 636434572 /nfs/dbraw/zinc/43/45/72/636434572.db2.gz CELCVDVORIJDLR-ZWNOBZJWSA-N 0 3 316.323 2.036 20 10 DECDHN COC(=O)[C@H]1[C@@H](CNCc2ccc(N(C)C)cc2C)C1(F)F ZINC000894256795 636581968 /nfs/dbraw/zinc/58/19/68/636581968.db2.gz WODLAQRHLVLGOC-ZIAGYGMSSA-N 0 3 312.360 2.205 20 10 DECDHN COC(=O)c1c(CNCCC(C)(C)O)c2cc(F)ccc2n1C ZINC000894490157 637068058 /nfs/dbraw/zinc/06/80/58/637068058.db2.gz CKYZYVBGBOCCOU-UHFFFAOYSA-N 0 3 322.380 2.355 20 10 DECDHN COc1cc(C)cc(CNCc2ccc(NC(C)=O)nc2)c1O ZINC000894589844 637113973 /nfs/dbraw/zinc/11/39/73/637113973.db2.gz JENCEVQCARVERW-UHFFFAOYSA-N 0 3 315.373 2.352 20 10 DECDHN CN1CCN(c2ccc(CN3CC(C(F)(F)F)C3)cc2)CC1 ZINC000894891618 637298757 /nfs/dbraw/zinc/29/87/57/637298757.db2.gz KVEJWTZZRPJWMI-UHFFFAOYSA-N 0 3 313.367 2.433 20 10 DECDHN NC(=O)[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])C[C@H]1c1ccccc1 ZINC000895007489 637381312 /nfs/dbraw/zinc/38/13/12/637381312.db2.gz ZSZHCCUWKDVGQI-JKSUJKDBSA-N 0 3 314.360 2.232 20 10 DECDHN NC(=O)[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])C[C@H]1c1ccccc1 ZINC000895007489 637381316 /nfs/dbraw/zinc/38/13/16/637381316.db2.gz ZSZHCCUWKDVGQI-JKSUJKDBSA-N 0 3 314.360 2.232 20 10 DECDHN CN(C)c1ccc(CN[C@@H]2CCCc3c2cnn3CCO)cc1 ZINC000320017965 637409630 /nfs/dbraw/zinc/40/96/30/637409630.db2.gz FSNNWIMSANKDEN-QGZVFWFLSA-N 0 3 314.433 2.109 20 10 DECDHN C[C@H](F)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895052146 637422853 /nfs/dbraw/zinc/42/28/53/637422853.db2.gz SKDUUZLSCRMGHU-BBRMVZONSA-N 0 3 324.444 2.403 20 10 DECDHN COc1ccc(O)c(CN2CC[C@@](CO)(C(F)(F)F)C2)c1 ZINC000895835164 638225665 /nfs/dbraw/zinc/22/56/65/638225665.db2.gz ADJBJEBHIKIRHA-CYBMUJFWSA-N 0 3 305.296 2.148 20 10 DECDHN COc1ccc(CN[C@@H]2CCCn3nccc32)c(O)c1OC ZINC000895879894 638242007 /nfs/dbraw/zinc/24/20/07/638242007.db2.gz DRNROULSVHWANB-GFCCVEGCSA-N 0 3 303.362 2.231 20 10 DECDHN CC(C)C[C@@H](C[NH3+])NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841038850 650411140 /nfs/dbraw/zinc/41/11/40/650411140.db2.gz RPFCWJPQTPVXBS-NSHDSACASA-N 0 3 301.774 2.417 20 10 DECDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)c2c1c(F)ccc2[O-] ZINC000756368984 639654862 /nfs/dbraw/zinc/65/48/62/639654862.db2.gz AIFLQPKETQWAHD-JFGNBEQYSA-N 0 3 313.394 2.104 20 10 DECDHN C[C@@H]1C[C@@H]([NH2+]CCN2CCOC[C@@H]2C)c2c1c(F)ccc2[O-] ZINC000756536843 639670344 /nfs/dbraw/zinc/67/03/44/639670344.db2.gz VZJQQAISWNVENH-MBNYWOFBSA-N 0 3 308.397 2.390 20 10 DECDHN CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756703278 639686978 /nfs/dbraw/zinc/68/69/78/639686978.db2.gz AWTWBXWBFMJHBU-NHCYSSNCSA-N 0 3 315.410 2.492 20 10 DECDHN C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)[C@H]1CN(C)CCO1 ZINC000756760212 639693140 /nfs/dbraw/zinc/69/31/40/639693140.db2.gz POECNJYJTNSHSA-UQFNBPPOSA-N 0 3 308.397 2.388 20 10 DECDHN CN(C)c1ccc(CNC(=O)CN(C)C2CC(C)(C)C2)cc1 ZINC000839618296 639772220 /nfs/dbraw/zinc/77/22/20/639772220.db2.gz GCXGZSONUYOTJG-UHFFFAOYSA-N 0 3 303.450 2.489 20 10 DECDHN O=C1NCCc2ccc(C[NH2+]Cc3cc(F)ccc3[O-])cc21 ZINC000757939237 639898714 /nfs/dbraw/zinc/89/87/14/639898714.db2.gz IVKYFCCPASXMPB-UHFFFAOYSA-N 0 3 300.333 2.107 20 10 DECDHN Cc1cc(C)c(O)c(CN2CCN(c3ncc(F)cn3)CC2)c1 ZINC000758981455 640016280 /nfs/dbraw/zinc/01/62/80/640016280.db2.gz GVNOHBKSXDYTKP-UHFFFAOYSA-N 0 3 316.380 2.260 20 10 DECDHN CCN(CC)c1ccc(CNC(=O)N2C[C@@H](C)NC[C@H]2C)cc1 ZINC000841719701 650551091 /nfs/dbraw/zinc/55/10/91/650551091.db2.gz OVIDSVFHESXBSS-HUUCEWRRSA-N 0 3 318.465 2.425 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]C2COC(C)(C)OC2)c1[O-] ZINC000761216766 640286698 /nfs/dbraw/zinc/28/66/98/640286698.db2.gz RADHTNGXSMBYSI-UHFFFAOYSA-N 0 3 301.770 2.295 20 10 DECDHN COc1cc(Cl)cc(CNC2COC(C)(C)OC2)c1O ZINC000761216766 640286702 /nfs/dbraw/zinc/28/67/02/640286702.db2.gz RADHTNGXSMBYSI-UHFFFAOYSA-N 0 3 301.770 2.295 20 10 DECDHN C[C@@H]1CN(CCO)[C@@H](C)CN1C/C=C/c1ccc(N(C)C)cc1 ZINC000841892205 650595664 /nfs/dbraw/zinc/59/56/64/650595664.db2.gz VBQIXCQXDUAGKJ-WBXGCANISA-N 0 3 317.477 2.153 20 10 DECDHN C[C@@H](N[C@@H](C)C(=O)NCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000765386023 640771460 /nfs/dbraw/zinc/77/14/60/640771460.db2.gz QYIFDTUPSLIECS-MNOVXSKESA-N 0 3 317.355 2.470 20 10 DECDHN Cc1cc(Br)cc(CN2C[C@H](O)[C@@H](C)C2)c1O ZINC000897679985 640900531 /nfs/dbraw/zinc/90/05/31/640900531.db2.gz DOFYAVZJRIXLTP-CABZTGNLSA-N 0 3 300.196 2.276 20 10 DECDHN Cc1cc(Br)cc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c1[O-] ZINC000897679985 640900532 /nfs/dbraw/zinc/90/05/32/640900532.db2.gz DOFYAVZJRIXLTP-CABZTGNLSA-N 0 3 300.196 2.276 20 10 DECDHN Cc1cc(Br)cc(C[N@H+]2C[C@H](O)[C@@H](C)C2)c1[O-] ZINC000897679985 640900535 /nfs/dbraw/zinc/90/05/35/640900535.db2.gz DOFYAVZJRIXLTP-CABZTGNLSA-N 0 3 300.196 2.276 20 10 DECDHN CCOc1ccc(C[NH2+][C@H]2CCOC23CCOCC3)c([O-])c1 ZINC000898116191 641025360 /nfs/dbraw/zinc/02/53/60/641025360.db2.gz NWILDTOQXMHNHE-INIZCTEOSA-N 0 3 307.390 2.219 20 10 DECDHN Cc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c([O-])c1O ZINC000770487099 641375870 /nfs/dbraw/zinc/37/58/70/641375870.db2.gz ORDUEZADMULYTH-UHFFFAOYSA-N 0 3 318.417 2.497 20 10 DECDHN CCOc1ccc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c([O-])c1 ZINC000770752325 641416526 /nfs/dbraw/zinc/41/65/26/641416526.db2.gz MHVPCAMJTCQCRU-RHSMWYFYSA-N 0 3 307.390 2.219 20 10 DECDHN COC1(OC)CC[C@@H]1NCc1ccc(N2CCSCC2)cc1 ZINC000924709699 641614069 /nfs/dbraw/zinc/61/40/69/641614069.db2.gz ZAENAASHEZXMJV-INIZCTEOSA-N 0 3 322.474 2.481 20 10 DECDHN Cc1nc(CNC[C@@H](c2ccc(N(C)C)cc2)N(C)C)[nH]c1C ZINC000898448473 641661282 /nfs/dbraw/zinc/66/12/82/641661282.db2.gz UENUMPQLCDIAMA-KRWDZBQOSA-N 0 3 315.465 2.485 20 10 DECDHN C[C@@H](NC(=O)N[C@H]1CCN(C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000773372412 641765893 /nfs/dbraw/zinc/76/58/93/641765893.db2.gz SPLYEYXNINERCT-HIFRSBDPSA-N 0 3 316.449 2.350 20 10 DECDHN CCN(C)c1ccc(CN[C@@](C)(COC)CC(=O)OC)cc1 ZINC000773796368 641825674 /nfs/dbraw/zinc/82/56/74/641825674.db2.gz YIMJJFHKPLSLKL-QGZVFWFLSA-N 0 3 308.422 2.201 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@@H](F)C2)N(C)C)cc1 ZINC000899099116 641940489 /nfs/dbraw/zinc/94/04/89/641940489.db2.gz VQMLJHPHRLWGEF-GDBMZVCRSA-N 0 3 322.428 2.109 20 10 DECDHN CS(=O)(=O)[C@H]1CCCC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000775382367 642036410 /nfs/dbraw/zinc/03/64/10/642036410.db2.gz VVMRTKOQZXBJHU-HOCLYGCPSA-N 0 3 309.431 2.067 20 10 DECDHN C[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@H](C)O1 ZINC000775634390 642069130 /nfs/dbraw/zinc/06/91/30/642069130.db2.gz RYPMIJUHAMZMLT-HOTGVXAUSA-N 0 3 303.450 2.048 20 10 DECDHN Cn1cc([C@]2(C[NH2+][C@H]3CCc4cccc([O-])c43)CCCO2)cn1 ZINC000903359037 643326635 /nfs/dbraw/zinc/32/66/35/643326635.db2.gz CGORPFRLKRCNAO-MAUKXSAKSA-N 0 3 313.401 2.409 20 10 DECDHN C[C@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1ccccc1[O-] ZINC000903375650 643334511 /nfs/dbraw/zinc/33/45/11/643334511.db2.gz XCYBUMUKEKJADU-ZDUSSCGKSA-N 0 3 307.390 2.091 20 10 DECDHN C[C@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ncc[nH]1 ZINC000903448192 643354867 /nfs/dbraw/zinc/35/48/67/643354867.db2.gz LWAOQEKCENEUQK-XJKSGUPXSA-N 0 3 301.438 2.429 20 10 DECDHN C[N@H+](CCOCCNC(=O)OC(C)(C)C)Cc1ccccc1[O-] ZINC000787728131 643533030 /nfs/dbraw/zinc/53/30/30/643533030.db2.gz CALAYBYYJQFDHS-UHFFFAOYSA-N 0 3 324.421 2.365 20 10 DECDHN C[N@@H+](CCOCCNC(=O)OC(C)(C)C)Cc1ccccc1[O-] ZINC000787728131 643533037 /nfs/dbraw/zinc/53/30/37/643533037.db2.gz CALAYBYYJQFDHS-UHFFFAOYSA-N 0 3 324.421 2.365 20 10 DECDHN [O-]c1ccc(Br)cc1CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000843105281 650894564 /nfs/dbraw/zinc/89/45/64/650894564.db2.gz RCDGHPAROKTUKL-BETUJISGSA-N 0 3 311.223 2.481 20 10 DECDHN CSC[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000793794792 644305103 /nfs/dbraw/zinc/30/51/03/644305103.db2.gz DEJIDKMVWDLMGX-NHYWBVRUSA-N 0 3 309.431 2.393 20 10 DECDHN CSC[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000793794792 644305108 /nfs/dbraw/zinc/30/51/08/644305108.db2.gz DEJIDKMVWDLMGX-NHYWBVRUSA-N 0 3 309.431 2.393 20 10 DECDHN COc1cccc([O-])c1C[NH2+][C@@H](CCO)Cc1ccccc1 ZINC000799350714 645163258 /nfs/dbraw/zinc/16/32/58/645163258.db2.gz XJJONHAVAJEXKF-HNNXBMFYSA-N 0 3 301.386 2.484 20 10 DECDHN CCOc1ccc(C[NH2+]C[C@H](O)Cc2ccccc2)c([O-])c1 ZINC000808422351 646082608 /nfs/dbraw/zinc/08/26/08/646082608.db2.gz JDZCRKZBPOGBBH-MRXNPFEDSA-N 0 3 301.386 2.484 20 10 DECDHN C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000912808006 646171928 /nfs/dbraw/zinc/17/19/28/646171928.db2.gz SDGFRYTZQBYUDT-JSGCOSHPSA-N 0 3 306.406 2.290 20 10 DECDHN C[N@@H+]1C[C@@H]2CCN(Cc3cc(Br)ccc3[O-])[C@@H]2C1 ZINC000814173667 646857803 /nfs/dbraw/zinc/85/78/03/646857803.db2.gz NXRAVEANTIESRT-GXFFZTMASA-N 0 3 311.223 2.291 20 10 DECDHN C[N@H+]1C[C@@H]2CCN(Cc3cc(Br)ccc3[O-])[C@@H]2C1 ZINC000814173667 646857807 /nfs/dbraw/zinc/85/78/07/646857807.db2.gz NXRAVEANTIESRT-GXFFZTMASA-N 0 3 311.223 2.291 20 10 DECDHN C[N@@H+]1C[C@H]2CCN(Cc3cc(Br)ccc3[O-])[C@@H]2C1 ZINC000814173670 646858105 /nfs/dbraw/zinc/85/81/05/646858105.db2.gz NXRAVEANTIESRT-ZWNOBZJWSA-N 0 3 311.223 2.291 20 10 DECDHN C[N@H+]1C[C@H]2CCN(Cc3cc(Br)ccc3[O-])[C@@H]2C1 ZINC000814173670 646858111 /nfs/dbraw/zinc/85/81/11/646858111.db2.gz NXRAVEANTIESRT-ZWNOBZJWSA-N 0 3 311.223 2.291 20 10 DECDHN CCCN(C)CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000730281517 646888990 /nfs/dbraw/zinc/88/89/90/646888990.db2.gz ZMEJRDANIHTGST-OAHLLOKOSA-N 0 3 319.449 2.042 20 10 DECDHN CCN(C)c1ccc(CN2CCN(C[C@H](C)O)C[C@H]2C)cc1 ZINC000815094431 646966911 /nfs/dbraw/zinc/96/69/11/646966911.db2.gz AUMXKCIHIXOOBB-CVEARBPZSA-N 0 3 305.466 2.030 20 10 DECDHN CCN(C)c1ccc(CN2CCN(C[C@H](C)O)C[C@@H]2C)cc1 ZINC000815094432 646967723 /nfs/dbraw/zinc/96/77/23/646967723.db2.gz AUMXKCIHIXOOBB-HOTGVXAUSA-N 0 3 305.466 2.030 20 10 DECDHN C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1c([O-])cccc1F ZINC000914340602 647269156 /nfs/dbraw/zinc/26/91/56/647269156.db2.gz FPWXBVRKIKJCBY-STQMWFEESA-N 0 3 323.412 2.451 20 10 DECDHN C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCc1c([O-])cccc1F ZINC000914340602 647269158 /nfs/dbraw/zinc/26/91/58/647269158.db2.gz FPWXBVRKIKJCBY-STQMWFEESA-N 0 3 323.412 2.451 20 10 DECDHN COc1cccc([O-])c1C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C ZINC000824287496 648559283 /nfs/dbraw/zinc/55/92/83/648559283.db2.gz ROGMRLPKRSSMLH-NSHDSACASA-N 0 3 310.394 2.404 20 10 DECDHN CCOc1ccc(O)c(CN2CCC[C@H](NC(=O)N(C)C)C2)c1 ZINC000825279183 648735329 /nfs/dbraw/zinc/73/53/29/648735329.db2.gz PPLCMJIMPHHWOT-AWEZNQCLSA-N 0 3 321.421 2.027 20 10 DECDHN COc1ccc(N2CCN(Cc3cccc(C)c3O)CC2)nc1 ZINC000825305041 648737894 /nfs/dbraw/zinc/73/78/94/648737894.db2.gz APPXJKMQFIDZMP-UHFFFAOYSA-N 0 3 313.401 2.426 20 10 DECDHN CN1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CCC1(C)C ZINC000825349450 648746701 /nfs/dbraw/zinc/74/67/01/648746701.db2.gz DEQFOKPGVFQFOJ-UHFFFAOYSA-N 0 3 317.393 2.405 20 10 DECDHN Cc1cc([O-])c(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1Cl ZINC000827698661 649070505 /nfs/dbraw/zinc/07/05/05/649070505.db2.gz ALFODENUUNETGP-HNNXBMFYSA-N 0 3 324.852 2.385 20 10 DECDHN Cc1cc([O-])c(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1Cl ZINC000827698661 649070507 /nfs/dbraw/zinc/07/05/07/649070507.db2.gz ALFODENUUNETGP-HNNXBMFYSA-N 0 3 324.852 2.385 20 10 DECDHN Cc1cc([O-])c(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(Cl)c1 ZINC000827699523 649070938 /nfs/dbraw/zinc/07/09/38/649070938.db2.gz IGOGCFTVTATESN-AWEZNQCLSA-N 0 3 324.852 2.385 20 10 DECDHN Cc1cc([O-])c(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)c(Cl)c1 ZINC000827699523 649070943 /nfs/dbraw/zinc/07/09/43/649070943.db2.gz IGOGCFTVTATESN-AWEZNQCLSA-N 0 3 324.852 2.385 20 10 DECDHN CC(C)[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)N1CCOCC1 ZINC000834496957 649807398 /nfs/dbraw/zinc/80/73/98/649807398.db2.gz SXVMDSIPWWYMRF-JKSUJKDBSA-N 0 3 304.434 2.326 20 10 DECDHN CON(C)C(=O)[C@H](CCSC)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834680575 649829935 /nfs/dbraw/zinc/82/99/35/649829935.db2.gz AVYHGMZTCOMRMW-OLZOCXBDSA-N 0 3 324.446 2.111 20 10 DECDHN Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]Cc1cc(F)ccc1[O-] ZINC000846123435 651309475 /nfs/dbraw/zinc/30/94/75/651309475.db2.gz RUOQBBRLUMSRTF-AWEZNQCLSA-N 0 3 302.349 2.397 20 10 DECDHN CCN(C)c1ccc(CN2CCC(N3CN=NC3=O)CC2)cc1 ZINC000846885633 651359369 /nfs/dbraw/zinc/35/93/69/651359369.db2.gz NQBYGRYCLPVYTI-UHFFFAOYSA-N 0 3 315.421 2.277 20 10 DECDHN COc1ccc(N2CC[C@@H](NCc3ccc(CO)o3)C2)cc1 ZINC000850346248 651905141 /nfs/dbraw/zinc/90/51/41/651905141.db2.gz DDEUWFNLQNJWMZ-CYBMUJFWSA-N 0 3 302.374 2.149 20 10 DECDHN CSC[C@H](CCO)NCc1cc(F)c(N(C)C)cc1F ZINC000858144002 652264865 /nfs/dbraw/zinc/26/48/65/652264865.db2.gz DJSLEJJYRDBMEH-NSHDSACASA-N 0 3 304.406 2.234 20 10 DECDHN Cc1noc([C@H]2OCC[C@H]2NCc2ccc(N(C)C)cc2)n1 ZINC000858326888 652307877 /nfs/dbraw/zinc/30/78/77/652307877.db2.gz HYWMJZOEBNBABF-CABCVRRESA-N 0 3 302.378 2.064 20 10 DECDHN CN(C)c1cc(F)c(CNCCN(C)CC(F)F)cc1F ZINC000858338280 652311585 /nfs/dbraw/zinc/31/15/85/652311585.db2.gz VLWLVAXQTMHIMF-UHFFFAOYSA-N 0 3 307.335 2.317 20 10 DECDHN COc1ccccc1[C@H](O)C[NH2+]Cc1c([O-])cccc1OC ZINC000853092746 652500356 /nfs/dbraw/zinc/50/03/56/652500356.db2.gz LDMPAHSZQRVAKX-OAHLLOKOSA-N 0 3 303.358 2.233 20 10 DECDHN C[N@H+](CCn1cnc2ccccc2c1=O)Cc1ccccc1[O-] ZINC000117340672 684068488 /nfs/dbraw/zinc/06/84/88/684068488.db2.gz UOFDEJCPULEKTA-UHFFFAOYSA-N 0 3 309.369 2.234 20 10 DECDHN C[N@@H+](CCn1cnc2ccccc2c1=O)Cc1ccccc1[O-] ZINC000117340672 684068490 /nfs/dbraw/zinc/06/84/90/684068490.db2.gz UOFDEJCPULEKTA-UHFFFAOYSA-N 0 3 309.369 2.234 20 10 DECDHN C[C@H]1C[C@@H](NC(=O)N2Cc3cccc(O)c3C2)CN1C1CC1 ZINC000875359246 689612802 /nfs/dbraw/zinc/61/28/02/689612802.db2.gz NNKHLADVILANOJ-WCQYABFASA-N 0 3 301.390 2.043 20 10 DECDHN COCCOc1ncccc1CNCc1ccc(C)cc1O ZINC000876934385 689976191 /nfs/dbraw/zinc/97/61/91/689976191.db2.gz GGYXDUOBISSMPD-UHFFFAOYSA-N 0 3 302.374 2.411 20 10 DECDHN Cc1ccc(C[NH2+]C[C@@H](Cc2ccc(F)cc2)C(N)=O)c([O-])c1 ZINC000877140601 690027673 /nfs/dbraw/zinc/02/76/73/690027673.db2.gz HHXDYUSQTKXMKN-OAHLLOKOSA-N 0 3 316.376 2.274 20 10 DECDHN Cc1ccc(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c([O-])c1 ZINC000877436040 690112424 /nfs/dbraw/zinc/11/24/24/690112424.db2.gz NXQLWJZMVWWRFT-GFCCVEGCSA-N 0 3 316.323 2.201 20 10 DECDHN Cc1ccc(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c([O-])c1 ZINC000877436040 690112427 /nfs/dbraw/zinc/11/24/27/690112427.db2.gz NXQLWJZMVWWRFT-GFCCVEGCSA-N 0 3 316.323 2.201 20 10 DECDHN COc1ccc(N2CCN(Cc3c(C)cccc3O)CC2)nc1 ZINC000877577630 690156600 /nfs/dbraw/zinc/15/66/00/690156600.db2.gz ZQDZPUIVWOTWCC-UHFFFAOYSA-N 0 3 313.401 2.426 20 10 DECDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCO[C@H](c2nccn2C)C1 ZINC000877576720 690156799 /nfs/dbraw/zinc/15/67/99/690156799.db2.gz OTLKSWUYIJZKDY-BBRMVZONSA-N 0 3 301.390 2.444 20 10 DECDHN Cc1ccc(C[NH2+][C@H]2CCO[C@H](c3nccn3C)C2)c([O-])c1 ZINC000877576295 690156983 /nfs/dbraw/zinc/15/69/83/690156983.db2.gz ITJRBITZXVPPKH-HOCLYGCPSA-N 0 3 301.390 2.444 20 10 DECDHN COc1c([O-])c(C[N@@H+]2CCN(C)C(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000877700772 690196125 /nfs/dbraw/zinc/19/61/25/690196125.db2.gz HHPGRXAOWBUEKB-UHFFFAOYSA-N 0 3 323.393 2.225 20 10 DECDHN COc1c([O-])c(C[N@H+]2CCN(C)C(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000877700772 690196127 /nfs/dbraw/zinc/19/61/27/690196127.db2.gz HHPGRXAOWBUEKB-UHFFFAOYSA-N 0 3 323.393 2.225 20 10 DECDHN COc1ccc(N(C)CCN(C)CCc2cnccn2)cc1 ZINC000878805638 690503876 /nfs/dbraw/zinc/50/38/76/690503876.db2.gz RPMISYVNJUHDFW-UHFFFAOYSA-N 0 3 300.406 2.096 20 10 DECDHN O=C1NCCN1CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000886324356 692056066 /nfs/dbraw/zinc/05/60/66/692056066.db2.gz LUROSJPSBASRIT-UHFFFAOYSA-N 0 3 311.385 2.174 20 10 DECDHN CCOc1cccc(CNCc2n[nH]c(CSC)n2)c1O ZINC000886327756 692057526 /nfs/dbraw/zinc/05/75/26/692057526.db2.gz RAFHDMNMCVXYFU-UHFFFAOYSA-N 0 3 308.407 2.062 20 10 DECDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3nnn(C)c3C2)c2c1c(F)ccc2[O-] ZINC000927148552 693561033 /nfs/dbraw/zinc/56/10/33/693561033.db2.gz WRALAUKPOCTOIM-GIPNMCIBSA-N 0 3 316.380 2.355 20 10 DECDHN C[C@@H]1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CCO1 ZINC001333866367 1150107483 /nfs/dbraw/zinc/10/74/83/1150107483.db2.gz DYXFRQJGYZYSNG-OAHLLOKOSA-N 0 3 321.440 2.188 20 10 DECDHN C[C@@H]1CN(C(=O)c2cccc(O)c2O)CCN1C1CCCC1 ZINC001349384593 1151245549 /nfs/dbraw/zinc/24/55/49/1151245549.db2.gz SQCMIQHMCUSHDK-GFCCVEGCSA-N 0 3 304.390 2.187 20 10 DECDHN NCc1ccc2c(n1)N(c1cnc3c(c1)C1(CC1)C(=O)N3)CCC2 ZINC001169591354 785251544 /nfs/dbraw/zinc/25/15/44/785251544.db2.gz HRYWILLXXZQETC-UHFFFAOYSA-N 0 3 321.384 2.003 20 10 DECDHN Cc1ccc(C(=O)NCCC[N@H+]2CCCC[C@H]2C)c([O-])c1O ZINC001116512139 794962244 /nfs/dbraw/zinc/96/22/44/794962244.db2.gz IHWGCJUAZMTSOJ-CYBMUJFWSA-N 0 3 306.406 2.401 20 10 DECDHN Cc1ccc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)c([O-])c1O ZINC001116512139 794962245 /nfs/dbraw/zinc/96/22/45/794962245.db2.gz IHWGCJUAZMTSOJ-CYBMUJFWSA-N 0 3 306.406 2.401 20 10 DECDHN COc1ccc(C[NH+]2CCC(N3CCCOC3=O)CC2)c([O-])c1 ZINC001203634806 796374538 /nfs/dbraw/zinc/37/45/38/796374538.db2.gz WHGAQOIWMVAGJS-UHFFFAOYSA-N 0 3 320.389 2.208 20 10 DECDHN CCC1(CN2CCN(c3ccc(OC)cc3OC)CC2)COC1 ZINC001202966256 796419701 /nfs/dbraw/zinc/41/97/01/796419701.db2.gz VAKHWZXVGNIPBJ-UHFFFAOYSA-N 0 3 320.433 2.252 20 10 DECDHN Cc1cnc(O[C@H]2CC[N@H+](Cc3cc(F)ccc3[O-])C2)nc1 ZINC001140056131 796470660 /nfs/dbraw/zinc/47/06/60/796470660.db2.gz IZXUPUCIZRVRRY-AWEZNQCLSA-N 0 3 303.337 2.283 20 10 DECDHN Cc1cnc(O[C@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])C2)nc1 ZINC001140056131 796470663 /nfs/dbraw/zinc/47/06/63/796470663.db2.gz IZXUPUCIZRVRRY-AWEZNQCLSA-N 0 3 303.337 2.283 20 10 DECDHN C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2F)CC[C@@]1(C)O ZINC001140660597 796552394 /nfs/dbraw/zinc/55/23/94/796552394.db2.gz XNEKBFFHPCMPTM-KBXCAEBGSA-N 0 3 322.424 2.255 20 10 DECDHN COC(=O)C[C@@H]1CCCN(Cc2c(O)cc(OC)cc2OC)C1 ZINC001141029008 796619951 /nfs/dbraw/zinc/61/99/51/796619951.db2.gz HEGXDVNLFZVEBI-LBPRGKRZSA-N 0 3 323.389 2.185 20 10 DECDHN COc1cc(O)c(CN2CCC[C@]3(CCC(=O)O3)C2)c(OC)c1 ZINC001141030684 796621348 /nfs/dbraw/zinc/62/13/48/796621348.db2.gz GPOAGOLQKQULNS-KRWDZBQOSA-N 0 3 321.373 2.081 20 10 DECDHN COC(=O)[C@H]1CCC[N@H+](Cc2c([O-])cc(OC)cc2OC)[C@H]1C ZINC001141029282 796621716 /nfs/dbraw/zinc/62/17/16/796621716.db2.gz NZOGRJRBTJIMJX-AAEUAGOBSA-N 0 3 323.389 2.183 20 10 DECDHN COC(=O)[C@H]1CCC[N@@H+](Cc2c([O-])cc(OC)cc2OC)[C@H]1C ZINC001141029282 796621721 /nfs/dbraw/zinc/62/17/21/796621721.db2.gz NZOGRJRBTJIMJX-AAEUAGOBSA-N 0 3 323.389 2.183 20 10 DECDHN O[C@@H]1CN(Cc2cc3c4c(c2)CCCN4CCC3)CC[C@@H]1F ZINC001141074862 796632026 /nfs/dbraw/zinc/63/20/26/796632026.db2.gz VNCNIZGIWFPCKW-DLBZAZTESA-N 0 3 304.409 2.290 20 10 DECDHN c1nnc2n1CCN(Cc1cc3c4c(c1)CCCN4CCC3)CC2 ZINC001141074944 796632053 /nfs/dbraw/zinc/63/20/53/796632053.db2.gz FEPRADTYXJHFPQ-UHFFFAOYSA-N 0 3 323.444 2.035 20 10 DECDHN CCN(CC)C(=O)NC1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141161301 796643054 /nfs/dbraw/zinc/64/30/54/796643054.db2.gz CVBMEEMZLQLIOC-UHFFFAOYSA-N 0 3 321.421 2.114 20 10 DECDHN CCc1noc(C2CCN(Cc3cc(O)ccc3O)CC2)n1 ZINC001141161158 796643245 /nfs/dbraw/zinc/64/32/45/796643245.db2.gz NCOGQLODSNIDCA-UHFFFAOYSA-N 0 3 303.362 2.423 20 10 DECDHN Cc1nccnc1O[C@H]1CCCN(Cc2cc(O)ccc2O)C1 ZINC001141163204 796643848 /nfs/dbraw/zinc/64/38/48/796643848.db2.gz UWNKYINDSPOEEJ-HNNXBMFYSA-N 0 3 315.373 2.240 20 10 DECDHN Cc1cc(C)c(CNC(=S)NCCN2CCCCC2)c(O)c1 ZINC001200446901 798630263 /nfs/dbraw/zinc/63/02/63/798630263.db2.gz STGHHBHQOODTHT-UHFFFAOYSA-N 0 3 321.490 2.459 20 10 DECDHN CCO[C@H]1CC[N@H+](Cc2ccccc2[O-])[C@H]1Cc1cnn(C)c1 ZINC001203552305 800078799 /nfs/dbraw/zinc/07/87/99/800078799.db2.gz IQKWMTBXGNBPSO-WMZOPIPTSA-N 0 3 315.417 2.348 20 10 DECDHN CCO[C@H]1CC[N@@H+](Cc2ccccc2[O-])[C@H]1Cc1cnn(C)c1 ZINC001203552305 800078802 /nfs/dbraw/zinc/07/88/02/800078802.db2.gz IQKWMTBXGNBPSO-WMZOPIPTSA-N 0 3 315.417 2.348 20 10 DECDHN COc1ccc(O[C@H]2CC[N@H+](Cc3ccccc3[O-])C2)nc1 ZINC001203561795 800080480 /nfs/dbraw/zinc/08/04/80/800080480.db2.gz ZQMLHOSXGKMRBO-HNNXBMFYSA-N 0 3 300.358 2.449 20 10 DECDHN COc1ccc(O[C@H]2CC[N@@H+](Cc3ccccc3[O-])C2)nc1 ZINC001203561795 800080488 /nfs/dbraw/zinc/08/04/88/800080488.db2.gz ZQMLHOSXGKMRBO-HNNXBMFYSA-N 0 3 300.358 2.449 20 10 DECDHN COc1cccnc1O[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC001203560828 800081162 /nfs/dbraw/zinc/08/11/62/800081162.db2.gz GZYOIRDBFQZDBR-CQSZACIVSA-N 0 3 300.358 2.449 20 10 DECDHN COc1cccnc1O[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203560828 800081169 /nfs/dbraw/zinc/08/11/69/800081169.db2.gz GZYOIRDBFQZDBR-CQSZACIVSA-N 0 3 300.358 2.449 20 10 DECDHN COc1ccc(CN2CCCC[C@H]2C(=O)N2CCCC2)c(O)c1 ZINC001203627919 800094319 /nfs/dbraw/zinc/09/43/19/800094319.db2.gz RWGAOLKOZPGZCC-INIZCTEOSA-N 0 3 318.417 2.378 20 10 DECDHN COC[C@]12CCCO[C@@H]1CCN(Cc1ccc(O)c(O)c1)C2 ZINC001203877304 800138672 /nfs/dbraw/zinc/13/86/72/800138672.db2.gz PKHVMADVGKHFRS-IAGOWNOFSA-N 0 3 307.390 2.115 20 10 DECDHN Oc1ccc(CN2CC[C@H](N3CCCCC3)[C@@H](F)C2)cc1O ZINC001203883094 800140145 /nfs/dbraw/zinc/14/01/45/800140145.db2.gz DPGMHQGPBJHDMN-GJZGRUSLSA-N 0 3 308.397 2.496 20 10 DECDHN O=C([C@H]1CCC[N@@H+](Cc2ccc(O)cc2[O-])C1)N1CCCCC1 ZINC001204275612 800198920 /nfs/dbraw/zinc/19/89/20/800198920.db2.gz XAWKLGCITYQMGJ-HNNXBMFYSA-N 0 3 318.417 2.322 20 10 DECDHN O=C([C@H]1CCC[N@H+](Cc2ccc(O)cc2[O-])C1)N1CCCCC1 ZINC001204275612 800198924 /nfs/dbraw/zinc/19/89/24/800198924.db2.gz XAWKLGCITYQMGJ-HNNXBMFYSA-N 0 3 318.417 2.322 20 10 DECDHN O=C1c2ccccc2CN1[C@H]1CCN(Cc2ccc(O)cc2O)C1 ZINC001204277376 800199036 /nfs/dbraw/zinc/19/90/36/800199036.db2.gz BSVQAOINERJWOF-HNNXBMFYSA-N 0 3 324.380 2.328 20 10 DECDHN COc1cc(CN2CCC3(CCCOC3)CC2)cc(O)c1O ZINC001204348231 800206905 /nfs/dbraw/zinc/20/69/05/800206905.db2.gz AEAGSTQLQLEXER-UHFFFAOYSA-N 0 3 307.390 2.499 20 10 DECDHN O=C1NCC2(CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)N1 ZINC001231589866 801691171 /nfs/dbraw/zinc/69/11/71/801691171.db2.gz SGBARZQQAJEBLF-UHFFFAOYSA-N 0 3 311.385 2.193 20 10 DECDHN C[C@@]1(CO)CC[N@H+](Cc2c([O-])ccc3ccccc32)C[C@@H]1O ZINC001231587195 801691296 /nfs/dbraw/zinc/69/12/96/801691296.db2.gz QVAKSSURISHGMY-ROUUACIJSA-N 0 3 301.386 2.111 20 10 DECDHN C[C@@]1(CO)CC[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@@H]1O ZINC001231587195 801691299 /nfs/dbraw/zinc/69/12/99/801691299.db2.gz QVAKSSURISHGMY-ROUUACIJSA-N 0 3 301.386 2.111 20 10 DECDHN COc1cc(N2CCN(Cc3cccc(C)c3O)CC2)ccn1 ZINC001231595134 801691835 /nfs/dbraw/zinc/69/18/35/801691835.db2.gz OLMSCBGDYNWAEF-UHFFFAOYSA-N 0 3 313.401 2.426 20 10 DECDHN COc1cc(CN2CC[C@@H](C(=O)OC(C)(C)C)C2)c(O)cc1O ZINC001231635786 801700443 /nfs/dbraw/zinc/70/04/43/801700443.db2.gz LPFXRGNCQNHBFM-LLVKDONJSA-N 0 3 323.389 2.270 20 10 DECDHN C[NH2+][C@H]1C[C@H](Oc2cccc3c2C(=O)c2cccc([O-])c2C3=O)C1 ZINC001217952792 802122527 /nfs/dbraw/zinc/12/25/27/802122527.db2.gz GKUPIKUGSUNAKM-XYPYZODXSA-N 0 3 323.348 2.297 20 10 DECDHN CC1(C)CC(=O)NCCN1Cc1ccc(N2CCCC2)cc1 ZINC001334373263 1150286172 /nfs/dbraw/zinc/28/61/72/1150286172.db2.gz CFNWMTHSZVLGMO-UHFFFAOYSA-N 0 3 301.434 2.387 20 10 DECDHN C[C@H](NCC(=O)N1CCOC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001334793340 1150342586 /nfs/dbraw/zinc/34/25/86/1150342586.db2.gz HDFPNGJFLJRNLF-AWEZNQCLSA-N 0 3 319.449 2.041 20 10 DECDHN C[C@@H]1CC[C@H]1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001335542808 1150448212 /nfs/dbraw/zinc/44/82/12/1150448212.db2.gz IMDSCOWWWVKALL-XYPHTWIQSA-N 0 3 318.465 2.453 20 10 DECDHN COC(=O)[C@@H]1CC[N@H+](Cc2c(C)cc(OC)cc2[O-])C[C@@H]1C ZINC001621460391 1078175481 /nfs/dbraw/zinc/17/54/81/1078175481.db2.gz MXPKUJJDTQZLMB-GXTWGEPZSA-N 0 3 307.390 2.340 20 10 DECDHN COC(=O)[C@@H]1CC[N@@H+](Cc2c(C)cc(OC)cc2[O-])C[C@@H]1C ZINC001621460391 1078175488 /nfs/dbraw/zinc/17/54/88/1078175488.db2.gz MXPKUJJDTQZLMB-GXTWGEPZSA-N 0 3 307.390 2.340 20 10 DECDHN C[C@H](CNC/C=C/Cl)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001569040622 1065253512 /nfs/dbraw/zinc/25/35/12/1065253512.db2.gz GONMBAXBIMRWCL-CEPNHREXSA-N 0 3 323.784 2.309 20 10 DECDHN CCO[C@H](C)C(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 ZINC001499168377 1067127932 /nfs/dbraw/zinc/12/79/32/1067127932.db2.gz PETDXVVQKGFOFN-CQSZACIVSA-N 0 3 320.433 2.167 20 10 DECDHN O=C(NCc1c([O-])cccc1F)[C@@H]1C[NH2+]Cc2ccccc21 ZINC001580708887 1075980082 /nfs/dbraw/zinc/98/00/82/1075980082.db2.gz XNNQZOHTBJBKBP-CYBMUJFWSA-N 0 3 300.333 2.035 20 10 DECDHN O=C(NCc1c(O)cccc1F)[C@@H]1CNCc2ccccc21 ZINC001580708887 1075980086 /nfs/dbraw/zinc/98/00/86/1075980086.db2.gz XNNQZOHTBJBKBP-CYBMUJFWSA-N 0 3 300.333 2.035 20 10 DECDHN COc1cc(C)c(C[NH+]2CCC3(CC2)COCCO3)c([O-])c1 ZINC001653014010 1079909686 /nfs/dbraw/zinc/90/96/86/1079909686.db2.gz ATWZHROLZDGDEG-UHFFFAOYSA-N 0 3 307.390 2.091 20 10 DECDHN COC(=O)N1CC(C)(NC/C=C\c2ccc(N(C)C)cc2)C1 ZINC001658848842 1080220376 /nfs/dbraw/zinc/22/03/76/1080220376.db2.gz LHWYMDZEDSCWKA-WAYWQWQTSA-N 0 3 303.406 2.196 20 10 DECDHN CC(C)C(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3[O-])CC[C@@H]21 ZINC001203552259 1084089809 /nfs/dbraw/zinc/08/98/09/1084089809.db2.gz GTORJVNGHXXZMC-ZBFHGGJFSA-N 0 3 302.418 2.471 20 10 DECDHN CC(C)C(=O)N1CC[C@@H]2C[N@@H+](Cc3ccccc3[O-])CC[C@@H]21 ZINC001203552259 1084089818 /nfs/dbraw/zinc/08/98/18/1084089818.db2.gz GTORJVNGHXXZMC-ZBFHGGJFSA-N 0 3 302.418 2.471 20 10 DECDHN CC(C)CN1CC[C@]2(CC[N@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001272981897 1085775082 /nfs/dbraw/zinc/77/50/82/1085775082.db2.gz BHCHZAPNFBPEGC-SFHVURJKSA-N 0 3 318.417 2.178 20 10 DECDHN CC(C)CN1CC[C@]2(CC[N@@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001272981897 1085775091 /nfs/dbraw/zinc/77/50/91/1085775091.db2.gz BHCHZAPNFBPEGC-SFHVURJKSA-N 0 3 318.417 2.178 20 10 DECDHN CC(C)CN1CC[C@@]2(CCCN2Cc2ccc(O)cc2O)C1=O ZINC001272987603 1085801044 /nfs/dbraw/zinc/80/10/44/1085801044.db2.gz DZPFJIQRQGPTLD-SFHVURJKSA-N 0 3 318.417 2.321 20 10 DECDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(CCN(C)C3=O)C2)c1[O-] ZINC001274123152 1093808039 /nfs/dbraw/zinc/80/80/39/1093808039.db2.gz YJBFUDKEFPVOBE-INIZCTEOSA-N 0 3 324.808 2.108 20 10 DECDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@]3(CCN(C)C3=O)C2)c1[O-] ZINC001274123152 1093808043 /nfs/dbraw/zinc/80/80/43/1093808043.db2.gz YJBFUDKEFPVOBE-INIZCTEOSA-N 0 3 324.808 2.108 20 10 DECDHN Cc1cc([O-])c(CN2CC(O)([C@H]3CCCC[NH2+]3)C2)cc1Cl ZINC001236164263 1138335780 /nfs/dbraw/zinc/33/57/80/1138335780.db2.gz FAHCOEPAERVFDB-OAHLLOKOSA-N 0 3 310.825 2.043 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H](C(=O)N(C)C)C2)c([O-])c1 ZINC001236812906 1138436290 /nfs/dbraw/zinc/43/62/90/1138436290.db2.gz HEJFQKOUJBRVIM-CYBMUJFWSA-N 0 3 306.406 2.009 20 10 DECDHN COc1cc(C)c(C[N@H+]2CCC[C@@H](C(=O)N(C)C)C2)c([O-])c1 ZINC001236812906 1138436297 /nfs/dbraw/zinc/43/62/97/1138436297.db2.gz HEJFQKOUJBRVIM-CYBMUJFWSA-N 0 3 306.406 2.009 20 10 DECDHN COc1cc(C)c(C[N@H+]2CCc3ccc(=O)[nH]c3CC2)c([O-])c1 ZINC001236817041 1138438827 /nfs/dbraw/zinc/43/88/27/1138438827.db2.gz BAYIQVHUMUQJDV-UHFFFAOYSA-N 0 3 314.385 2.411 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CCc3ccc(=O)[nH]c3CC2)c([O-])c1 ZINC001236817041 1138438828 /nfs/dbraw/zinc/43/88/28/1138438828.db2.gz BAYIQVHUMUQJDV-UHFFFAOYSA-N 0 3 314.385 2.411 20 10 DECDHN CC(C)c1ccc(CN2CCN(CC(C)(C)O)CC2)c(O)c1 ZINC001237050486 1138489552 /nfs/dbraw/zinc/48/95/52/1138489552.db2.gz BVQVCKKFBFJVGY-UHFFFAOYSA-N 0 3 306.450 2.404 20 10 DECDHN Cc1cc(Cl)cc(C[NH+]2CCC3(C[C@@H](O)CO3)CC2)c1[O-] ZINC001237680464 1138756101 /nfs/dbraw/zinc/75/61/01/1138756101.db2.gz BOPLHNXPGSEHEO-CQSZACIVSA-N 0 3 311.809 2.470 20 10 DECDHN Cc1cc(F)cc(CN2CC[C@H](Oc3cnccn3)C2)c1O ZINC001238067398 1138819712 /nfs/dbraw/zinc/81/97/12/1138819712.db2.gz SXUITPCTIPUEGU-AWEZNQCLSA-N 0 3 303.337 2.283 20 10 DECDHN C[C@@H]1C[C@H]([NH2+]CCN2CCC(CO)CC2)c2c1c(F)ccc2[O-] ZINC001320244092 1140841196 /nfs/dbraw/zinc/84/11/96/1140841196.db2.gz AIBCXBFTGXBIAW-DOMZBBRYSA-N 0 3 322.424 2.374 20 10 DECDHN Cc1nn(CCO)c(C)c1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC001320397996 1140860844 /nfs/dbraw/zinc/86/08/44/1140860844.db2.gz NECQPLNXRHNYSX-ZDUSSCGKSA-N 0 3 316.449 2.409 20 10 DECDHN CCCO[C@@H]1CC[N@H+](Cc2ccc(CC(=O)OC)cc2[O-])C1 ZINC001249201541 1141859378 /nfs/dbraw/zinc/85/93/78/1141859378.db2.gz WXLMCHPDKBORTB-OAHLLOKOSA-N 0 3 307.390 2.109 20 10 DECDHN CCCO[C@@H]1CC[N@@H+](Cc2ccc(CC(=O)OC)cc2[O-])C1 ZINC001249201541 1141859379 /nfs/dbraw/zinc/85/93/79/1141859379.db2.gz WXLMCHPDKBORTB-OAHLLOKOSA-N 0 3 307.390 2.109 20 10 DECDHN COc1cc(-c2noc(C[C@@H]([NH3+])c3ccccc3[O-])n2)ccn1 ZINC001249338837 1141876668 /nfs/dbraw/zinc/87/66/68/1141876668.db2.gz FEZKLOULCAMNPB-GFCCVEGCSA-N 0 3 312.329 2.088 20 10 DECDHN COc1cncc(-c2noc(C[C@@H]([NH3+])c3ccccc3[O-])n2)c1 ZINC001249340153 1141876941 /nfs/dbraw/zinc/87/69/41/1141876941.db2.gz VSHZYUFNCZBTIQ-CYBMUJFWSA-N 0 3 312.329 2.088 20 10 DECDHN COc1ccccc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC001252887331 1142827688 /nfs/dbraw/zinc/82/76/88/1142827688.db2.gz FLCIESCZELLTDL-HNNXBMFYSA-N 0 3 317.385 2.273 20 10 DECDHN COc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC001252887331 1142827690 /nfs/dbraw/zinc/82/76/90/1142827690.db2.gz FLCIESCZELLTDL-HNNXBMFYSA-N 0 3 317.385 2.273 20 10 DECDHN COc1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC001253975651 1143015705 /nfs/dbraw/zinc/01/57/05/1143015705.db2.gz KZQYBJBHXAVQDW-KGLIPLIRSA-N 0 3 317.385 2.491 20 10 DECDHN CN(C)c1ccc(CNC(=O)[C@H](N)C2CCCCC2)cc1F ZINC001326371406 1148087231 /nfs/dbraw/zinc/08/72/31/1148087231.db2.gz RDAYOHIKHDSBBP-MRXNPFEDSA-N 0 3 307.413 2.416 20 10 DECDHN C[NH+]1CCC2(CCCN(C(=O)c3cccc(O)c3[O-])C2)CC1 ZINC000374055257 530051205 /nfs/dbraw/zinc/05/12/05/530051205.db2.gz ZRSFVVZMWURYNX-UHFFFAOYSA-N 0 3 304.390 2.046 20 10 DECDHN C[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000076111469 355127635 /nfs/dbraw/zinc/12/76/35/355127635.db2.gz CZUANBKTYVDYEG-GJZGRUSLSA-N 0 3 303.450 2.299 20 10 DECDHN Cc1ccc(O)c(CN(CCO)CCOCC(F)(F)F)c1 ZINC000093320083 193232534 /nfs/dbraw/zinc/23/25/34/193232534.db2.gz OEGURWVTFBPIML-UHFFFAOYSA-N 0 3 307.312 2.074 20 10 DECDHN Cc1ccc([O-])c(C[N@H+](CCO)CCOCC(F)(F)F)c1 ZINC000093320083 193232535 /nfs/dbraw/zinc/23/25/35/193232535.db2.gz OEGURWVTFBPIML-UHFFFAOYSA-N 0 3 307.312 2.074 20 10 DECDHN Cc1ccc([O-])c(C[N@@H+](CCO)CCOCC(F)(F)F)c1 ZINC000093320083 193232537 /nfs/dbraw/zinc/23/25/37/193232537.db2.gz OEGURWVTFBPIML-UHFFFAOYSA-N 0 3 307.312 2.074 20 10 DECDHN CN(C)CCN(C(=O)/C=C\c1cncc(O)c1)c1ccccc1 ZINC000492520693 249080977 /nfs/dbraw/zinc/08/09/77/249080977.db2.gz NRYZYJFZRZRHCY-HJWRWDBZSA-N 0 3 311.385 2.395 20 10 DECDHN Cc1cccc(C[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)c1[O-] ZINC000294688301 224169004 /nfs/dbraw/zinc/16/90/04/224169004.db2.gz BPHSNSARLDSSJP-CQSZACIVSA-N 0 3 324.421 2.018 20 10 DECDHN Cc1cccc(C[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)c1[O-] ZINC000294688301 224169006 /nfs/dbraw/zinc/16/90/06/224169006.db2.gz BPHSNSARLDSSJP-CQSZACIVSA-N 0 3 324.421 2.018 20 10 DECDHN Cc1cccc(CN(C)C[C@H](O)CNC(=O)OC(C)(C)C)c1O ZINC000294688301 224169007 /nfs/dbraw/zinc/16/90/07/224169007.db2.gz BPHSNSARLDSSJP-CQSZACIVSA-N 0 3 324.421 2.018 20 10 DECDHN CCOc1cccc(CN2CCC[C@@H](OC(=O)N(C)C)C2)c1O ZINC000294790352 224223451 /nfs/dbraw/zinc/22/34/51/224223451.db2.gz LXFWKKJJBNTOOA-CQSZACIVSA-N 0 3 322.405 2.454 20 10 DECDHN CCOc1cccc(CN2CCC[C@H](OC(=O)N(C)C)C2)c1O ZINC000294790348 224223894 /nfs/dbraw/zinc/22/38/94/224223894.db2.gz LXFWKKJJBNTOOA-AWEZNQCLSA-N 0 3 322.405 2.454 20 10 DECDHN CCCOc1ccc(CN2CCN(C[C@H](C)O)C[C@H]2C)c(O)c1 ZINC000284471843 131083706 /nfs/dbraw/zinc/08/37/06/131083706.db2.gz VVOOGRQUIGISLL-CABCVRRESA-N 0 3 322.449 2.068 20 10 DECDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCS(=O)(=O)C2)c([O-])c1C ZINC000286924687 131255559 /nfs/dbraw/zinc/25/55/59/131255559.db2.gz FVNLKZURFWSVIA-UONOGXRCSA-N 0 3 311.447 2.484 20 10 DECDHN C[C@@H]1[C@H](N2CCOCC2)CCN1Cc1ccc(N(C)C)cc1 ZINC000289376001 131379785 /nfs/dbraw/zinc/37/97/85/131379785.db2.gz BVBAGVVNSDOVFM-CRAIPNDOSA-N 0 3 303.450 2.048 20 10 DECDHN Cc1ccc([O-])c(C[NH+]2CCC(CN3CCOCC3)CC2)c1 ZINC000134122574 401899495 /nfs/dbraw/zinc/89/94/95/401899495.db2.gz NEALYQLUQWDKNN-UHFFFAOYSA-N 0 3 304.434 2.245 20 10 DECDHN CCN(CC)c1ccc(CN(C)C[C@H](C)C(=O)NC)cc1F ZINC000093899028 402021018 /nfs/dbraw/zinc/02/10/18/402021018.db2.gz DCVNLXCABRJLNX-ZDUSSCGKSA-N 0 3 309.429 2.486 20 10 DECDHN CC[C@H](C(=O)N1CCCN(c2ccc(OC)cc2)CC1)N(C)C ZINC000124903164 402202902 /nfs/dbraw/zinc/20/29/02/402202902.db2.gz NOFJHLAKJYYMJX-QGZVFWFLSA-N 0 3 319.449 2.074 20 10 DECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)[C@@H](C)N2CCOCC2)c1 ZINC000185375933 402348399 /nfs/dbraw/zinc/34/83/99/402348399.db2.gz WZSJOYQJPVCBEL-HZSPNIEDSA-N 0 3 308.422 2.161 20 10 DECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2COC3(CCOCC3)O2)c1 ZINC000186375172 402426095 /nfs/dbraw/zinc/42/60/95/402426095.db2.gz GRXJYBILAKSDIV-ZIAGYGMSSA-N 0 3 307.390 2.273 20 10 DECDHN C[C@@H]([NH2+][C@@H](C)CCN1CCN(C)CC1)c1cc(F)ccc1[O-] ZINC000186585597 402444325 /nfs/dbraw/zinc/44/43/25/402444325.db2.gz PEUMHQKIXLCUGJ-UONOGXRCSA-N 0 3 309.429 2.208 20 10 DECDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCCCS(C)(=O)=O)c1 ZINC000186868884 402468734 /nfs/dbraw/zinc/46/87/34/402468734.db2.gz FZVUAKWVIDDYCO-LBPRGKRZSA-N 0 3 315.435 2.266 20 10 DECDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)CC(C)(C)C)cc2=O ZINC000263820751 402808552 /nfs/dbraw/zinc/80/85/52/402808552.db2.gz XXVBLNZLCBTOFC-UHFFFAOYSA-N 0 3 320.393 2.090 20 10 DECDHN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CC2CCN(C3CC3)CC2)c1 ZINC000278110363 402856329 /nfs/dbraw/zinc/85/63/29/402856329.db2.gz BGSJFRDIPYTEIO-UHFFFAOYSA-N 0 3 305.378 2.264 20 10 DECDHN COc1c([O-])c(CN2CCC[C@@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000278390088 402863825 /nfs/dbraw/zinc/86/38/25/402863825.db2.gz MRJXVUAQUVAFFA-CYBMUJFWSA-N 0 3 323.393 2.225 20 10 DECDHN Cn1nccc1CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000278604493 402868499 /nfs/dbraw/zinc/86/84/99/402868499.db2.gz MBJDCJKBWQOFAC-KRWDZBQOSA-N 0 3 315.417 2.349 20 10 DECDHN Cn1nccc1CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000278604493 402868502 /nfs/dbraw/zinc/86/85/02/402868502.db2.gz MBJDCJKBWQOFAC-KRWDZBQOSA-N 0 3 315.417 2.349 20 10 DECDHN COc1ccc(O)c(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC000271736543 402883315 /nfs/dbraw/zinc/88/33/15/402883315.db2.gz OYNLHJCKIFPGJV-YPMHNXCESA-N 0 3 305.296 2.288 20 10 DECDHN Cc1cccc(C[N@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)c1[O-] ZINC000271878169 402884972 /nfs/dbraw/zinc/88/49/72/402884972.db2.gz UHVIRGBZMYAKHR-RDJZCZTQSA-N 0 3 315.417 2.380 20 10 DECDHN Cc1cccc(C[N@@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)c1[O-] ZINC000271878169 402884973 /nfs/dbraw/zinc/88/49/73/402884973.db2.gz UHVIRGBZMYAKHR-RDJZCZTQSA-N 0 3 315.417 2.380 20 10 DECDHN CC[C@@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1ccc(C)cc1[O-] ZINC000280149160 402969279 /nfs/dbraw/zinc/96/92/79/402969279.db2.gz QBVZYIXJZNEXEV-DOTOQJQBSA-N 0 3 305.466 2.377 20 10 DECDHN CCOc1cccc(C[NH2+]C[C@H]2CCCN(C(C)=O)C2)c1[O-] ZINC000279954731 402965719 /nfs/dbraw/zinc/96/57/19/402965719.db2.gz ZTJVGPXTPNBKSU-CQSZACIVSA-N 0 3 306.406 2.139 20 10 DECDHN COC[C@@H](CO)N[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000280946051 403052737 /nfs/dbraw/zinc/05/27/37/403052737.db2.gz JFAZWZQNQMHKPB-UKRRQHHQSA-N 0 3 310.413 2.474 20 10 DECDHN CCN1CCN(c2ccc(CN[C@@H](C)[C@H](C)OC)cc2F)CC1 ZINC000268892159 403120770 /nfs/dbraw/zinc/12/07/70/403120770.db2.gz PCXUSFFWGLSHEU-GJZGRUSLSA-N 0 3 323.456 2.481 20 10 DECDHN C[C@@H](NCc1ccc(N2CCCCC2)cc1)C(=O)NCCF ZINC000282644320 403157803 /nfs/dbraw/zinc/15/78/03/403157803.db2.gz KOXFPWPHAYTMRA-CQSZACIVSA-N 0 3 307.413 2.241 20 10 DECDHN COc1cc(O)c(CN2CCN(C3CCC3)CC2)cc1OC ZINC000271095106 403263768 /nfs/dbraw/zinc/26/37/68/403263768.db2.gz MJSATFSGHWCPSG-UHFFFAOYSA-N 0 3 306.406 2.080 20 10 DECDHN COc1cc([N+](=O)[O-])c(N2CC[C@]3(CCN(C)C3)C2)cc1OC ZINC000292405487 403359646 /nfs/dbraw/zinc/35/96/46/403359646.db2.gz VHKGQPAZOZIFSU-INIZCTEOSA-N 0 3 321.377 2.144 20 10 DECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c1 ZINC000363870435 404231979 /nfs/dbraw/zinc/23/19/79/404231979.db2.gz VKXAVYVRBSWONX-OLZOCXBDSA-N 0 3 316.405 2.064 20 10 DECDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)CN(C)C ZINC000355597454 404353286 /nfs/dbraw/zinc/35/32/86/404353286.db2.gz HZVXUJYBAGBBNO-LBPRGKRZSA-N 0 3 302.422 2.236 20 10 DECDHN CS(=O)(=O)C1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CCCC1 ZINC000297239736 404514812 /nfs/dbraw/zinc/51/48/12/404514812.db2.gz ILJXMKOGNFZDRM-CYBMUJFWSA-N 0 3 309.431 2.327 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1OC ZINC000371361179 227069849 /nfs/dbraw/zinc/06/98/49/227069849.db2.gz OCESQPOPFMSNNQ-QWHCGFSZSA-N 0 3 307.390 2.268 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1OC ZINC000371361179 227069855 /nfs/dbraw/zinc/06/98/55/227069855.db2.gz OCESQPOPFMSNNQ-QWHCGFSZSA-N 0 3 307.390 2.268 20 10 DECDHN Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2Cc2cc(F)ccc2[O-])cn1 ZINC000374901696 227141347 /nfs/dbraw/zinc/14/13/47/227141347.db2.gz WXVABGXNLCFOGJ-WBVHZDCISA-N 0 3 319.380 2.353 20 10 DECDHN Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2Cc2cc(F)ccc2[O-])cn1 ZINC000374901696 227141352 /nfs/dbraw/zinc/14/13/52/227141352.db2.gz WXVABGXNLCFOGJ-WBVHZDCISA-N 0 3 319.380 2.353 20 10 DECDHN CN(C)c1ccc(/C=C\CN2CCC[C@@H](OCCO)C2)cc1 ZINC000835027722 649868498 /nfs/dbraw/zinc/86/84/98/649868498.db2.gz GCAXEQWWCDXJFA-LKIHTYOGSA-N 0 3 304.434 2.239 20 10 DECDHN CCN(CC)c1ccc(CN2CCN(C[C@H](C)O)CC2)cc1 ZINC000189861674 520890870 /nfs/dbraw/zinc/89/08/70/520890870.db2.gz DWZKAYJHZIGELL-INIZCTEOSA-N 0 3 305.466 2.031 20 10 DECDHN CCN(CC)c1ccc(CN2CCO[C@H](CN(C)C)C2)cc1 ZINC000128098319 520893404 /nfs/dbraw/zinc/89/34/04/520893404.db2.gz CHUPUKLGMJIKRE-GOSISDBHSA-N 0 3 305.466 2.295 20 10 DECDHN CCOc1cccc(C[NH2+]C[C@H](O)Cc2ccccc2)c1[O-] ZINC000236942184 521363979 /nfs/dbraw/zinc/36/39/79/521363979.db2.gz YEHMOGFESYQIGT-MRXNPFEDSA-N 0 3 301.386 2.484 20 10 DECDHN CN(C)c1ccccc1CNCc1cc2c(cc1O)OCO2 ZINC000265877162 522291797 /nfs/dbraw/zinc/29/17/97/522291797.db2.gz SAGBXFFFXBVOHO-UHFFFAOYSA-N 0 3 300.358 2.477 20 10 DECDHN COc1cc([O-])c(C[NH2+]C[C@H](C)Cn2ccnc2C)cc1OC ZINC000182461935 522780511 /nfs/dbraw/zinc/78/05/11/522780511.db2.gz SPFYCCOTZLVQBJ-LBPRGKRZSA-N 0 3 319.405 2.340 20 10 DECDHN Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180276636 527457501 /nfs/dbraw/zinc/45/75/01/527457501.db2.gz ODLUAIZFHJZUOW-LRDDRELGSA-N 0 3 319.380 2.210 20 10 DECDHN Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180276636 527457514 /nfs/dbraw/zinc/45/75/14/527457514.db2.gz ODLUAIZFHJZUOW-LRDDRELGSA-N 0 3 319.380 2.210 20 10 DECDHN OCC[C@@H](NCc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000124448434 527562440 /nfs/dbraw/zinc/56/24/40/527562440.db2.gz GWUWLGZJRAGIGN-CQSZACIVSA-N 0 3 301.342 2.334 20 10 DECDHN OC[C@H](NCc1cc2c(cc1O)OCO2)c1ccc(F)cc1 ZINC000265238895 527609012 /nfs/dbraw/zinc/60/90/12/527609012.db2.gz KZIGDGQFNGHEGH-ZDUSSCGKSA-N 0 3 305.305 2.083 20 10 DECDHN COc1ccc(C[C@H](CO)C[NH2+]Cc2ccccc2[O-])cc1O ZINC000289381301 536530374 /nfs/dbraw/zinc/53/03/74/536530374.db2.gz CLOKKAQQEDJHHU-AWEZNQCLSA-N 0 3 317.385 2.047 20 10 DECDHN C[C@H](O)CN1CCN(C/C=C\c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000835054849 649873040 /nfs/dbraw/zinc/87/30/40/649873040.db2.gz RTGCRKJJRAAQAU-JEZUCGJFSA-N 0 3 317.477 2.153 20 10 DECDHN CCOCCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254950 623800545 /nfs/dbraw/zinc/80/05/45/623800545.db2.gz KRJINKKHNLSFRM-KRWDZBQOSA-N 0 3 321.465 2.288 20 10 DECDHN Cc1cc(Br)cc([C@@H](C)N[C@@H]2CNOC2)c1O ZINC000925862679 635964057 /nfs/dbraw/zinc/96/40/57/635964057.db2.gz XNVSVJPGDLZGEW-PSASIEDQSA-N 0 3 301.184 2.017 20 10 DECDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CNOC2)c1[O-] ZINC000925862679 635964061 /nfs/dbraw/zinc/96/40/61/635964061.db2.gz XNVSVJPGDLZGEW-PSASIEDQSA-N 0 3 301.184 2.017 20 10 DECDHN COc1cc(Br)cc(C[NH2+][C@@H]2COC[C@H]2C)c1[O-] ZINC000922641426 636296644 /nfs/dbraw/zinc/29/66/44/636296644.db2.gz LJCVPZQLHWDMAJ-LDYMZIIASA-N 0 3 316.195 2.288 20 10 DECDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCC2(CCOCC2)O1 ZINC000922807865 636420782 /nfs/dbraw/zinc/42/07/82/636420782.db2.gz FIURWTQXWYGOHF-CYBMUJFWSA-N 0 3 307.390 2.219 20 10 DECDHN Cc1[nH]cnc1CC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840555328 650320801 /nfs/dbraw/zinc/32/08/01/650320801.db2.gz NUIRLDIFLYGTSG-CYBMUJFWSA-N 0 3 314.433 2.382 20 10 DECDHN Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)c([O-])c1 ZINC000896398817 638503471 /nfs/dbraw/zinc/50/34/71/638503471.db2.gz WVHGPRPEXJHNAK-RHSMWYFYSA-N 0 3 304.390 2.411 20 10 DECDHN Cc1ccc(C[N@H+]2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)c([O-])c1 ZINC000896398817 638503474 /nfs/dbraw/zinc/50/34/74/638503474.db2.gz WVHGPRPEXJHNAK-RHSMWYFYSA-N 0 3 304.390 2.411 20 10 DECDHN CCO[C@@H](CNCc1cc(Cl)c(F)cc1[O-])C[NH+](C)C ZINC000896879699 638753297 /nfs/dbraw/zinc/75/32/97/638753297.db2.gz FWPAPGJRKMSFPP-NSHDSACASA-N 0 3 304.793 2.241 20 10 DECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000753597654 639319131 /nfs/dbraw/zinc/31/91/31/639319131.db2.gz ZDLJSFCLUDQILD-CYBMUJFWSA-N 0 3 307.390 2.376 20 10 DECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000753597654 639319134 /nfs/dbraw/zinc/31/91/34/639319134.db2.gz ZDLJSFCLUDQILD-CYBMUJFWSA-N 0 3 307.390 2.376 20 10 DECDHN C[C@H]1C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c2c1c(F)ccc2[O-] ZINC000756474966 639665018 /nfs/dbraw/zinc/66/50/18/639665018.db2.gz FHTINGHRXIPVGR-IONNQARKSA-N 0 3 320.286 2.348 20 10 DECDHN C[C@@H]1C[C@H]([NH2+]C[C@H](O)COCC2CC2)c2c1c(F)ccc2[O-] ZINC000756512123 639668179 /nfs/dbraw/zinc/66/81/79/639668179.db2.gz VOYREGXDGJYLCO-OSMZGAPFSA-N 0 3 309.381 2.457 20 10 DECDHN COc1ccc(O)c([C@H](C)NCC(=O)N2CCCC[C@@H]2C)c1 ZINC000839538796 639752432 /nfs/dbraw/zinc/75/24/32/639752432.db2.gz GPQSFUHETLVIKX-STQMWFEESA-N 0 3 306.406 2.452 20 10 DECDHN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000761215486 640285758 /nfs/dbraw/zinc/28/57/58/640285758.db2.gz MESUKSPFJYXDQN-NEPJUHHUSA-N 0 3 312.797 2.059 20 10 DECDHN CC(C)N(C)CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000067592844 640475088 /nfs/dbraw/zinc/47/50/88/640475088.db2.gz JYUAMNXGPRDDBH-HNNXBMFYSA-N 0 3 319.449 2.041 20 10 DECDHN CCOc1ccc(C[NH+]2CCC(NC(=O)C3CC3)CC2)c([O-])c1 ZINC000768233745 641061328 /nfs/dbraw/zinc/06/13/28/641061328.db2.gz QZUVNUIJUQOYKC-UHFFFAOYSA-N 0 3 318.417 2.282 20 10 DECDHN COc1cccc([O-])c1C[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC000768327938 641069332 /nfs/dbraw/zinc/06/93/32/641069332.db2.gz WXOBMKHYZPUAMJ-UHFFFAOYSA-N 0 3 306.406 2.137 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]([C@@H]3CCOC3)C1)[C@@H](O)CO2 ZINC000768461861 641084566 /nfs/dbraw/zinc/08/45/66/641084566.db2.gz GQTSOKSVXDHWBT-AHIWAGSCSA-N 0 3 319.401 2.067 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]([C@@H]3CCOC3)C1)[C@@H](O)CO2 ZINC000768461861 641084570 /nfs/dbraw/zinc/08/45/70/641084570.db2.gz GQTSOKSVXDHWBT-AHIWAGSCSA-N 0 3 319.401 2.067 20 10 DECDHN CCN(CC)C(=O)[C@@H]1CCCN1Cc1c(O)cccc1OC ZINC000769120318 641179261 /nfs/dbraw/zinc/17/92/61/641179261.db2.gz KWYHKGOKCSWHAY-AWEZNQCLSA-N 0 3 306.406 2.234 20 10 DECDHN COc1cccc([O-])c1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000769528276 641256804 /nfs/dbraw/zinc/25/68/04/641256804.db2.gz UCAHFPWGTITNRJ-CQSZACIVSA-N 0 3 307.390 2.171 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c([O-])c1 ZINC000770388010 641364271 /nfs/dbraw/zinc/36/42/71/641364271.db2.gz SJVOTRPNZPTANX-AWEZNQCLSA-N 0 3 316.405 2.295 20 10 DECDHN CCOc1ccc(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)c([O-])c1 ZINC000770388010 641364273 /nfs/dbraw/zinc/36/42/73/641364273.db2.gz SJVOTRPNZPTANX-AWEZNQCLSA-N 0 3 316.405 2.295 20 10 DECDHN C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccccc1[O-] ZINC000770509735 641379089 /nfs/dbraw/zinc/37/90/89/641379089.db2.gz RYMDTKQMRZEBCO-GFCCVEGCSA-N 0 3 320.414 2.233 20 10 DECDHN C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccccc1[O-] ZINC000770509735 641379092 /nfs/dbraw/zinc/37/90/92/641379092.db2.gz RYMDTKQMRZEBCO-GFCCVEGCSA-N 0 3 320.414 2.233 20 10 DECDHN COc1c(O)c(CN(C)Cc2ccncc2)ccc1[N+](=O)[O-] ZINC000775059968 642002187 /nfs/dbraw/zinc/00/21/87/642002187.db2.gz CFPBXESXVBSNMI-UHFFFAOYSA-N 0 3 303.318 2.336 20 10 DECDHN COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000775997878 642121801 /nfs/dbraw/zinc/12/18/01/642121801.db2.gz DKVFAJOGXABCBT-RYUDHWBXSA-N 0 3 310.369 2.488 20 10 DECDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1[O-] ZINC000776221910 642145428 /nfs/dbraw/zinc/14/54/28/642145428.db2.gz XEPKJNAAFBNFDI-OWYVNGRQSA-N 0 3 308.809 2.453 20 10 DECDHN CC[C@H]([NH2+][C@H]1CCOC[C@@H]1OCCOC)c1ccccc1[O-] ZINC000776866670 642214490 /nfs/dbraw/zinc/21/44/90/642214490.db2.gz GKNAXSHHHUREIU-ZOBUZTSGSA-N 0 3 309.406 2.253 20 10 DECDHN CC1(C)C[NH2+]CC[C@@H]1NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841071787 642558420 /nfs/dbraw/zinc/55/84/20/642558420.db2.gz BKCRTUBRIMBHKK-LBPRGKRZSA-N 0 3 313.785 2.432 20 10 DECDHN CC1(C)CNCC[C@@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841071787 642558426 /nfs/dbraw/zinc/55/84/26/642558426.db2.gz BKCRTUBRIMBHKK-LBPRGKRZSA-N 0 3 313.785 2.432 20 10 DECDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccnc(N)c1 ZINC000785630764 643255827 /nfs/dbraw/zinc/25/58/27/643255827.db2.gz LDMWTKLLRWEJEK-UHFFFAOYSA-N 0 3 312.417 2.132 20 10 DECDHN COc1ccc(C[NH2+]Cc2cc(OC)c(OC)cc2O)c([O-])c1 ZINC000793386011 644243793 /nfs/dbraw/zinc/24/37/93/644243793.db2.gz GGMSKLURYZQNFQ-UHFFFAOYSA-N 0 3 319.357 2.413 20 10 DECDHN CN(C)c1ccc(CNC(C)(C)C(=O)N2CCCC2)cc1F ZINC000793394004 644245732 /nfs/dbraw/zinc/24/57/32/644245732.db2.gz HQTMQPNNLWOBOM-UHFFFAOYSA-N 0 3 307.413 2.382 20 10 DECDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C1(S(C)(=O)=O)CC1 ZINC000797071371 644834223 /nfs/dbraw/zinc/83/42/23/644834223.db2.gz RWKPXWRTJGPOKN-VHSXEESVSA-N 0 3 301.383 2.148 20 10 DECDHN COC[C@H](C)OC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000908459808 644867246 /nfs/dbraw/zinc/86/72/46/644867246.db2.gz LIMHONBWWFWYOW-XJKSGUPXSA-N 0 3 323.437 2.116 20 10 DECDHN CCCN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@@H]1CCN(C)C1 ZINC000843989475 651059247 /nfs/dbraw/zinc/05/92/47/651059247.db2.gz OMAWGSXCPJHBSH-BRLPQQTGSA-N 0 3 304.390 2.054 20 10 DECDHN COC(=O)c1cc(CNCc2ccc(N(C)C)cc2)cn1C ZINC000809603513 646245064 /nfs/dbraw/zinc/24/50/64/646245064.db2.gz QKYAIPBUBJEKRZ-UHFFFAOYSA-N 0 3 301.390 2.168 20 10 DECDHN C[C@H]1[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CCN1C ZINC000914180840 647207156 /nfs/dbraw/zinc/20/71/56/647207156.db2.gz XWLNGXIKJAKKJF-YOEHRIQHSA-N 0 3 316.449 2.179 20 10 DECDHN CC(=O)N[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000817413263 647289267 /nfs/dbraw/zinc/28/92/67/647289267.db2.gz UYLACZKACXMTTG-QGZVFWFLSA-N 0 3 301.434 2.387 20 10 DECDHN CC[C@H]([NH2+]C[C@H]1CNCCO1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817982808 647400030 /nfs/dbraw/zinc/40/00/30/647400030.db2.gz HNAVQXLFVZVPBQ-YPMHNXCESA-N 0 3 318.339 2.440 20 10 DECDHN [O-]c1ccc(F)cc1C[N@H+](CCN1CCOCC1)CC1CC1 ZINC000827519648 649045791 /nfs/dbraw/zinc/04/57/91/649045791.db2.gz QHHVDTZDAZSWQU-UHFFFAOYSA-N 0 3 308.397 2.076 20 10 DECDHN [O-]c1ccc(F)cc1C[N@@H+](CCN1CCOCC1)CC1CC1 ZINC000827519648 649045794 /nfs/dbraw/zinc/04/57/94/649045794.db2.gz QHHVDTZDAZSWQU-UHFFFAOYSA-N 0 3 308.397 2.076 20 10 DECDHN Cc1cc(Cl)cc(CN2CCN(c3nccn3C)CC2)c1O ZINC000827884460 649099506 /nfs/dbraw/zinc/09/95/06/649099506.db2.gz CCWHRNNEJOQSOW-UHFFFAOYSA-N 0 3 320.824 2.410 20 10 DECDHN CN(Cc1cccs1)c1ccc(CN[C@@H]2COC[C@H]2O)cc1 ZINC000830648672 649473135 /nfs/dbraw/zinc/47/31/35/649473135.db2.gz PUZBAXOWRIHCSG-IAGOWNOFSA-N 0 3 318.442 2.234 20 10 DECDHN COc1cccc([O-])c1C[NH2+][C@H]1CCCc2c1ccc(=O)n2C ZINC000846108111 651308068 /nfs/dbraw/zinc/30/80/68/651308068.db2.gz NWGPCRSPIDEKJX-AWEZNQCLSA-N 0 3 314.385 2.267 20 10 DECDHN COc1cccc([C@@H](C)NCC(=O)NCc2ccccc2)c1O ZINC000846141965 651310592 /nfs/dbraw/zinc/31/05/92/651310592.db2.gz OYJRZVIXBVKZKA-CYBMUJFWSA-N 0 3 314.385 2.368 20 10 DECDHN O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cccc(O)c1[O-] ZINC000855809580 651785097 /nfs/dbraw/zinc/78/50/97/651785097.db2.gz HYPGUUORCFFQGX-GFCCVEGCSA-N 0 3 304.390 2.235 20 10 DECDHN O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cccc(O)c1[O-] ZINC000855809580 651785100 /nfs/dbraw/zinc/78/51/00/651785100.db2.gz HYPGUUORCFFQGX-GFCCVEGCSA-N 0 3 304.390 2.235 20 10 DECDHN COc1ccc(O)c(CNCc2c(C(F)(F)F)cnn2C)c1 ZINC000850137769 651839909 /nfs/dbraw/zinc/83/99/09/651839909.db2.gz WBIZCZWUCJNBMT-UHFFFAOYSA-N 0 3 315.295 2.443 20 10 DECDHN CCn1nccc1CN[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850346121 651904764 /nfs/dbraw/zinc/90/47/64/651904764.db2.gz CQEHECDHQDDHRK-CQSZACIVSA-N 0 3 300.406 2.280 20 10 DECDHN CCOc1ccc(C[NH2+][C@H](CO)[C@H]2CCC[C@H](OC)C2)c([O-])c1 ZINC000850353959 651909244 /nfs/dbraw/zinc/90/92/44/651909244.db2.gz QYOZQTABVXTUHU-JLJPHGGASA-N 0 3 323.433 2.447 20 10 DECDHN COc1cccc([O-])c1C[NH2+]CC(C)(C)[C@@]1(O)CCCOC1 ZINC000850401297 651922071 /nfs/dbraw/zinc/92/20/71/651922071.db2.gz WWUIVMDPDNLHIA-QGZVFWFLSA-N 0 3 309.406 2.058 20 10 DECDHN COc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000120856870 684102284 /nfs/dbraw/zinc/10/22/84/684102284.db2.gz ADIUKTRAYPYSPH-CYBMUJFWSA-N 0 3 314.385 2.368 20 10 DECDHN C[C@@H](NCC(=O)NCc1ccco1)c1ccc(N(C)C)cc1 ZINC000128125006 684168741 /nfs/dbraw/zinc/16/87/41/684168741.db2.gz XKSLLJPYGUJLSO-CYBMUJFWSA-N 0 3 301.390 2.313 20 10 DECDHN CCOc1cccc(CN[C@](C)(CO)c2cccc(O)c2)c1O ZINC000862431191 686300070 /nfs/dbraw/zinc/30/00/70/686300070.db2.gz FLOPQBZTEXLDMH-GOSISDBHSA-N 0 3 317.385 2.494 20 10 DECDHN COc1cc(Cl)cc(CN[C@H]2CCN(C3CCC3)C2=O)c1O ZINC000862551218 686321101 /nfs/dbraw/zinc/32/11/01/686321101.db2.gz JZTHZLOZQUQKGY-ZDUSSCGKSA-N 0 3 324.808 2.297 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCN(C3CCC3)C2=O)c1[O-] ZINC000862551218 686321110 /nfs/dbraw/zinc/32/11/10/686321110.db2.gz JZTHZLOZQUQKGY-ZDUSSCGKSA-N 0 3 324.808 2.297 20 10 DECDHN COc1ccc(C(=O)NCC[NH2+]Cc2ccc(C)cc2[O-])cc1 ZINC000876956513 689983030 /nfs/dbraw/zinc/98/30/30/689983030.db2.gz MLBJZNSKHSZJOY-UHFFFAOYSA-N 0 3 314.385 2.229 20 10 DECDHN Cc1ccc(CNCCS(=O)(=O)Cc2ccccc2)c(O)c1 ZINC000876986471 689990598 /nfs/dbraw/zinc/99/05/98/689990598.db2.gz DRSQOCZZKJTRKO-UHFFFAOYSA-N 0 3 319.426 2.405 20 10 DECDHN Cc1cccc([O-])c1C[NH2+]C[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000877141685 690028220 /nfs/dbraw/zinc/02/82/20/690028220.db2.gz ZNMJDENIKCPFOM-AWEZNQCLSA-N 0 3 316.376 2.274 20 10 DECDHN CCOc1ccc(O)c(CN2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1 ZINC000877693876 690194187 /nfs/dbraw/zinc/19/41/87/690194187.db2.gz TUFGCLIVZSUOTH-WCQYABFASA-N 0 3 319.323 2.394 20 10 DECDHN CNC(=O)NC[C@H]1CCCCN1Cc1ccc(N(C)C)cc1 ZINC000879335068 690621974 /nfs/dbraw/zinc/62/19/74/690621974.db2.gz PRPLEVMLSBVLMZ-MRXNPFEDSA-N 0 3 304.438 2.036 20 10 DECDHN Cc1nc(C)c(CNCc2ccc(N3CCN(C)CC3)cc2)o1 ZINC000883283789 691471833 /nfs/dbraw/zinc/47/18/33/691471833.db2.gz SYEUTMURCPXAMF-UHFFFAOYSA-N 0 3 314.433 2.333 20 10 DECDHN O[C@@H](CNCc1ccc2c(c1)CCO2)C(F)(F)C(F)(F)F ZINC000883366567 691490262 /nfs/dbraw/zinc/49/02/62/691490262.db2.gz WHTVKPDOKAAQSI-NSHDSACASA-N 0 3 311.250 2.270 20 10 DECDHN CCN(CC)c1ccc(CNC(=O)[C@@H](N)CC2CC2)cc1F ZINC000884213995 691684107 /nfs/dbraw/zinc/68/41/07/691684107.db2.gz RAQNICVGJWWLRF-HNNXBMFYSA-N 0 3 307.413 2.416 20 10 DECDHN N[C@@H](CC1CC1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000884304891 691705280 /nfs/dbraw/zinc/70/52/80/691705280.db2.gz FKYALSVELLWCIU-HOTGVXAUSA-N 0 3 318.417 2.027 20 10 DECDHN C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ncco1 ZINC000886274746 692042425 /nfs/dbraw/zinc/04/24/25/692042425.db2.gz ZWXAAWFEKHCAFJ-CQSZACIVSA-N 0 3 300.406 2.277 20 10 DECDHN CC(C)[C@H](C[NH2+][C@H](C)c1c([O-])cccc1F)N1CCN(C)CC1 ZINC000886500215 692094402 /nfs/dbraw/zinc/09/44/02/692094402.db2.gz LHMVSWZOSYMLMN-ZBFHGGJFSA-N 0 3 323.456 2.454 20 10 DECDHN COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1ccccc1[O-] ZINC000886520548 692100002 /nfs/dbraw/zinc/10/00/02/692100002.db2.gz HFYXCGJQIALXKW-LBPRGKRZSA-N 0 3 301.346 2.000 20 10 DECDHN C[C@H](C[NH2+][C@H](C)c1c([O-])cccc1F)CN1CCN(C)CC1 ZINC000886522271 692100757 /nfs/dbraw/zinc/10/07/57/692100757.db2.gz GFFSPFVFDLDVMX-ZIAGYGMSSA-N 0 3 309.429 2.065 20 10 DECDHN CC[C@@H](C)C[C@@H](N)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001343446055 1150742749 /nfs/dbraw/zinc/74/27/49/1150742749.db2.gz ZEHAQHOBGICHIF-TZMCWYRMSA-N 0 3 305.422 2.242 20 10 DECDHN C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CO ZINC001332697775 1149881142 /nfs/dbraw/zinc/88/11/42/1149881142.db2.gz MAVHSIXQJOOJQD-WMLDXEAASA-N 0 3 301.386 2.309 20 10 DECDHN C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@@H](O)CO ZINC001332697775 1149881143 /nfs/dbraw/zinc/88/11/43/1149881143.db2.gz MAVHSIXQJOOJQD-WMLDXEAASA-N 0 3 301.386 2.309 20 10 DECDHN CN1c2ccc(N3CCCc4ccc(CN)nc43)cc2CC1=O ZINC001169592301 785251844 /nfs/dbraw/zinc/25/18/44/785251844.db2.gz LWHLUGOCZSKTHN-UHFFFAOYSA-N 0 3 308.385 2.144 20 10 DECDHN O=C(c1cccc(O)c1[O-])N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001148214165 791711269 /nfs/dbraw/zinc/71/12/69/791711269.db2.gz PATZUSHQSGMMMC-ZDUSSCGKSA-N 0 3 304.390 2.188 20 10 DECDHN CCN(CC)c1ccc(CNCCCS(C)(=O)=O)cc1F ZINC001177724776 794729272 /nfs/dbraw/zinc/72/92/72/794729272.db2.gz LFYFFKMPTJKGFN-UHFFFAOYSA-N 0 3 316.442 2.196 20 10 DECDHN O=c1cc2c(n[nH]1)CCN(Cc1ccc(N3CCCC3)cc1)C2 ZINC001116653376 794977249 /nfs/dbraw/zinc/97/72/49/794977249.db2.gz ZOMNCLCQOFXODL-UHFFFAOYSA-N 0 3 310.401 2.341 20 10 DECDHN CN(C)C[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001204324967 795620926 /nfs/dbraw/zinc/62/09/26/795620926.db2.gz PUCDXXUBKBIQJZ-SFHVURJKSA-N 0 3 303.450 2.049 20 10 DECDHN COC(CN(C)Cc1cc2c3c(c1O)CCCN3CCC2)OC ZINC001138340243 796199816 /nfs/dbraw/zinc/19/98/16/796199816.db2.gz QKZHFBPBROCUOQ-UHFFFAOYSA-N 0 3 320.433 2.142 20 10 DECDHN Cc1cc(CN2CCN(CCC(C)(C)O)CC2)ccc1N(C)C ZINC001139673796 796408220 /nfs/dbraw/zinc/40/82/20/796408220.db2.gz JVPATLWVRPIGPU-UHFFFAOYSA-N 0 3 319.493 2.340 20 10 DECDHN CCN1CCN(c2ccc(CN3Cc4cncnc4C3)cc2)CC1 ZINC001140302732 796503851 /nfs/dbraw/zinc/50/38/51/796503851.db2.gz YVGWVSPPHVZXIQ-UHFFFAOYSA-N 0 3 323.444 2.134 20 10 DECDHN Cc1ccc(O)c(CN2CCN(CCc3ccccn3)CC2)c1 ZINC001140621119 796547006 /nfs/dbraw/zinc/54/70/06/796547006.db2.gz PMJYGFYSNAHORH-UHFFFAOYSA-N 0 3 311.429 2.456 20 10 DECDHN CN1CCN(Cc2ccc(N3CCOCC3)cc2F)CC1(C)C ZINC001140664122 796553698 /nfs/dbraw/zinc/55/36/98/796553698.db2.gz ZJIKZOLBVFNRDY-UHFFFAOYSA-N 0 3 321.440 2.188 20 10 DECDHN CN1CCOc2cc(CN3CCN(C4CCC4)CC3)ccc21 ZINC001141139769 796638035 /nfs/dbraw/zinc/63/80/35/796638035.db2.gz BGAMRMTYFWQJFS-UHFFFAOYSA-N 0 3 301.434 2.185 20 10 DECDHN CN1CCOc2cc(CN3C[C@@H]4COC[C@H](C3)C4(F)F)ccc21 ZINC001141144134 796638668 /nfs/dbraw/zinc/63/86/68/796638668.db2.gz AIMTUBCOZSQQRE-OKILXGFUSA-N 0 3 324.371 2.229 20 10 DECDHN COc1ccc(O[C@@H]2CCN(Cc3cc(O)ccc3O)C2)nc1 ZINC001141163314 796644339 /nfs/dbraw/zinc/64/43/39/796644339.db2.gz ZMBKYPMOENBTCJ-OAHLLOKOSA-N 0 3 316.357 2.155 20 10 DECDHN COc1cccc(CN2CCC(Oc3ccncn3)CC2)c1O ZINC001203601683 800088361 /nfs/dbraw/zinc/08/83/61/800088361.db2.gz GZBLIKZOQWWIJY-UHFFFAOYSA-N 0 3 315.373 2.234 20 10 DECDHN CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc(OC)cc2[O-])C1 ZINC001203616996 800091243 /nfs/dbraw/zinc/09/12/43/800091243.db2.gz FNTMUUNIBILPQB-HNNXBMFYSA-N 0 3 320.433 2.481 20 10 DECDHN CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(OC)cc2[O-])C1 ZINC001203616996 800091248 /nfs/dbraw/zinc/09/12/48/800091248.db2.gz FNTMUUNIBILPQB-HNNXBMFYSA-N 0 3 320.433 2.481 20 10 DECDHN COC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccc(OC)cc1[O-])C2 ZINC001203622962 800092484 /nfs/dbraw/zinc/09/24/84/800092484.db2.gz HBUYXTWEZAGMKC-ZWKOTPCHSA-N 0 3 321.417 2.418 20 10 DECDHN COC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(OC)cc1[O-])C2 ZINC001203622962 800092491 /nfs/dbraw/zinc/09/24/91/800092491.db2.gz HBUYXTWEZAGMKC-ZWKOTPCHSA-N 0 3 321.417 2.418 20 10 DECDHN COc1ccc(C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c([O-])c1 ZINC001203622762 800092537 /nfs/dbraw/zinc/09/25/37/800092537.db2.gz BLOLUVGATPJBGP-LJQANCHMSA-N 0 3 324.380 2.497 20 10 DECDHN COc1ccc(C[N@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c([O-])c1 ZINC001203622762 800092545 /nfs/dbraw/zinc/09/25/45/800092545.db2.gz BLOLUVGATPJBGP-LJQANCHMSA-N 0 3 324.380 2.497 20 10 DECDHN CC[C@@H]1[N@H+](Cc2ccc(OC)cc2[O-])CCC[C@]12CCC(=O)N2 ZINC001203623963 800093160 /nfs/dbraw/zinc/09/31/60/800093160.db2.gz ZGCIWQQHKTUXQU-WMZOPIPTSA-N 0 3 318.417 2.424 20 10 DECDHN CC[C@@H]1[N@@H+](Cc2ccc(OC)cc2[O-])CCC[C@]12CCC(=O)N2 ZINC001203623963 800093172 /nfs/dbraw/zinc/09/31/72/800093172.db2.gz ZGCIWQQHKTUXQU-WMZOPIPTSA-N 0 3 318.417 2.424 20 10 DECDHN COc1ccc(C[NH+]2CCC(c3nnc(C)o3)CC2)c([O-])c1 ZINC001203628867 800094763 /nfs/dbraw/zinc/09/47/63/800094763.db2.gz IWDAIOOPXJSIEK-UHFFFAOYSA-N 0 3 303.362 2.472 20 10 DECDHN COc1ccc(C[N@@H+]2CCC[C@@H](Oc3cnccn3)C2)c([O-])c1 ZINC001203635195 800097018 /nfs/dbraw/zinc/09/70/18/800097018.db2.gz OEXRPKYLGYZLQI-OAHLLOKOSA-N 0 3 315.373 2.234 20 10 DECDHN COc1ccc(C[N@H+]2CCC[C@@H](Oc3cnccn3)C2)c([O-])c1 ZINC001203635195 800097022 /nfs/dbraw/zinc/09/70/22/800097022.db2.gz OEXRPKYLGYZLQI-OAHLLOKOSA-N 0 3 315.373 2.234 20 10 DECDHN COc1ccc(O)c(CN2CCC(Oc3ccncn3)CC2)c1 ZINC001203680639 800104946 /nfs/dbraw/zinc/10/49/46/800104946.db2.gz AXNXDLDXWDJJHU-UHFFFAOYSA-N 0 3 315.373 2.234 20 10 DECDHN CC[C@@H]1N(Cc2ccc(O)c(O)c2)CCC[C@]12CCC(=O)N2 ZINC001203877123 800138808 /nfs/dbraw/zinc/13/88/08/800138808.db2.gz MJZJYNJIMPNRJZ-RDJZCZTQSA-N 0 3 304.390 2.121 20 10 DECDHN CC(=O)N1CCCC[C@@]12CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204275279 800198214 /nfs/dbraw/zinc/19/82/14/800198214.db2.gz NRVPHSQCHBAKIC-KRWDZBQOSA-N 0 3 304.390 2.075 20 10 DECDHN CC(=O)N1CCCC[C@@]12CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204275279 800198216 /nfs/dbraw/zinc/19/82/16/800198216.db2.gz NRVPHSQCHBAKIC-KRWDZBQOSA-N 0 3 304.390 2.075 20 10 DECDHN Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(O)cc3[O-])C2)nc1 ZINC001204278229 800200218 /nfs/dbraw/zinc/20/02/18/800200218.db2.gz ZCPVTGBZAICXJM-HNNXBMFYSA-N 0 3 300.358 2.455 20 10 DECDHN Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(O)cc3[O-])C2)nc1 ZINC001204278229 800200221 /nfs/dbraw/zinc/20/02/21/800200221.db2.gz ZCPVTGBZAICXJM-HNNXBMFYSA-N 0 3 300.358 2.455 20 10 DECDHN [NH3+][C@H]1C[C@H](F)CN(Cc2cc(Br)ccc2[O-])C1 ZINC001206405159 800526526 /nfs/dbraw/zinc/52/65/26/800526526.db2.gz OUTNBRDYPAHBSA-QWRGUYRKSA-N 0 3 303.175 2.026 20 10 DECDHN COc1ccc(C[NH+]2CCC(c3nc(C)no3)CC2)c([O-])c1 ZINC000091837212 801570557 /nfs/dbraw/zinc/57/05/57/801570557.db2.gz ZZMYKGGQUMMJMZ-UHFFFAOYSA-N 0 3 303.362 2.472 20 10 DECDHN COc1cc(CN2CCC(c3nnc(C)o3)CC2)c(O)cc1O ZINC001231639024 801701759 /nfs/dbraw/zinc/70/17/59/801701759.db2.gz KDAIMUIWEFLXOD-UHFFFAOYSA-N 0 3 319.361 2.177 20 10 DECDHN COC(=O)c1c(CN2CC[C@@](C)(CO)C2)c2ccccc2n1C ZINC001232402368 801870943 /nfs/dbraw/zinc/87/09/43/801870943.db2.gz MFHZUNSJTXZGEG-GOSISDBHSA-N 0 3 316.401 2.169 20 10 DECDHN CN(CCCC(=O)c1cccnc1)Cc1cc(O)c(O)cc1O ZINC001233485785 802127609 /nfs/dbraw/zinc/12/76/09/802127609.db2.gz KOFISZOMQRBICJ-UHFFFAOYSA-N 0 3 316.357 2.293 20 10 DECDHN COc1ccc2c(c1O[C@@H]1CN[C@H]1C)C(=O)c1ccccc1C2=O ZINC001218387544 802176750 /nfs/dbraw/zinc/17/67/50/802176750.db2.gz QECDPNVZMYEUFY-ZUZCIYMTSA-N 0 3 323.348 2.210 20 10 DECDHN Oc1c(CN2CC[C@@H](F)[C@H](O)C2)cccc1OC(F)(F)F ZINC001233727758 802190878 /nfs/dbraw/zinc/19/08/78/802190878.db2.gz PHDWTIBLGQBANL-NXEZZACHSA-N 0 3 309.259 2.196 20 10 DECDHN C[C@H]([NH2+]CC(C)(C)N1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000316016726 802495843 /nfs/dbraw/zinc/49/58/43/802495843.db2.gz CAIHHDQHRPDSIB-ZDUSSCGKSA-N 0 3 309.429 2.208 20 10 DECDHN CCOc1ccc(N2CCN(CC3(C(=O)OC)CC3)CC2)cc1 ZINC001344125274 1150798147 /nfs/dbraw/zinc/79/81/47/1150798147.db2.gz RNWJWYWWYTZETK-UHFFFAOYSA-N 0 3 318.417 2.161 20 10 DECDHN CN(CCNC/C=C/Cl)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001493810127 1063970909 /nfs/dbraw/zinc/97/09/09/1063970909.db2.gz NRILSRUWWICUJH-BVHCNOTJSA-N 0 3 323.784 2.263 20 10 DECDHN COc1cc(C)c(C[NH+]2CCC3(CC2)OCCCO3)c([O-])c1 ZINC001621354930 1078172763 /nfs/dbraw/zinc/17/27/63/1078172763.db2.gz IGCPSTBSJZVQTC-UHFFFAOYSA-N 0 3 307.390 2.438 20 10 DECDHN CN(C)c1ccc(CNC(=O)C2(N(C)C)CCCC2)cc1F ZINC001631437953 1078364655 /nfs/dbraw/zinc/36/46/55/1078364655.db2.gz IOCQBFPWCFGHEB-UHFFFAOYSA-N 0 3 307.413 2.382 20 10 DECDHN C[C@@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CN1C1CC1 ZINC001631593728 1078368279 /nfs/dbraw/zinc/36/82/79/1078368279.db2.gz RBQSJPVMEMZSTH-MFKMUULPSA-N 0 3 315.377 2.204 20 10 DECDHN CSCC[C@H](N)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001579377641 1067319336 /nfs/dbraw/zinc/31/93/36/1067319336.db2.gz MEJBEFNFKWGNKZ-INIZCTEOSA-N 0 3 321.490 2.326 20 10 DECDHN NC(=O)N=Nc1ccc(C(=O)NCCN2CCCCC2)cc1 ZINC001543894875 1072510450 /nfs/dbraw/zinc/51/04/50/1072510450.db2.gz GWXNKTHYADRCCV-UHFFFAOYSA-N 0 3 303.366 2.065 20 10 DECDHN NC(=O)c1ccc(CNCc2ccc(N3CCCC3)cc2)cn1 ZINC001560392753 1075139070 /nfs/dbraw/zinc/13/90/70/1075139070.db2.gz AAVJMQQAZCLAHD-UHFFFAOYSA-N 0 3 310.401 2.071 20 10 DECDHN COc1cc(C)c(CN2C[C@@H](C)O[C@]3(CCOC3)C2)c(O)c1 ZINC001657886055 1080188276 /nfs/dbraw/zinc/18/82/76/1080188276.db2.gz KBABYENOSFQDSN-CXAGYDPISA-N 0 3 307.390 2.089 20 10 DECDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@]3(CCOC3=O)C2)c1[O-] ZINC001660250276 1080294044 /nfs/dbraw/zinc/29/40/44/1080294044.db2.gz KOFLKFHAZGCYDJ-HNNXBMFYSA-N 0 3 311.765 2.193 20 10 DECDHN COc1cc(Cl)cc(C[N@H+]2CC[C@]3(CCOC3=O)C2)c1[O-] ZINC001660250276 1080294050 /nfs/dbraw/zinc/29/40/50/1080294050.db2.gz KOFLKFHAZGCYDJ-HNNXBMFYSA-N 0 3 311.765 2.193 20 10 DECDHN CCc1cccc(CNCc2cc(=O)n3ccccc3n2)c1O ZINC001665135988 1080993261 /nfs/dbraw/zinc/99/32/61/1080993261.db2.gz FOLNWHXJEACBRW-UHFFFAOYSA-N 0 3 309.369 2.252 20 10 DECDHN CN1CCO[C@H]2CN(Cc3cc(C(C)(C)C)ccc3O)C[C@@H]21 ZINC001276444000 1083437587 /nfs/dbraw/zinc/43/75/87/1083437587.db2.gz BFHVGRWZWHEBJU-RDJZCZTQSA-N 0 3 304.434 2.205 20 10 DECDHN [O-]c1c(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)cccc1-c1ccccc1 ZINC001235002346 1084266872 /nfs/dbraw/zinc/26/68/72/1084266872.db2.gz PQHFNJMOJJZOLS-SJLPKXTDSA-N 0 3 313.397 2.234 20 10 DECDHN [O-]c1c(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)cccc1-c1ccccc1 ZINC001235002346 1084266882 /nfs/dbraw/zinc/26/68/82/1084266882.db2.gz PQHFNJMOJJZOLS-SJLPKXTDSA-N 0 3 313.397 2.234 20 10 DECDHN CN1CC[C@]2(CCC[N@H+](Cc3cc(F)ccc3[O-])CC2)C1=O ZINC001273284055 1090707874 /nfs/dbraw/zinc/70/78/74/1090707874.db2.gz DCBNOKFREBSGFV-KRWDZBQOSA-N 0 3 306.381 2.366 20 10 DECDHN CN1CC[C@]2(CCC[N@@H+](Cc3cc(F)ccc3[O-])CC2)C1=O ZINC001273284055 1090707882 /nfs/dbraw/zinc/70/78/82/1090707882.db2.gz DCBNOKFREBSGFV-KRWDZBQOSA-N 0 3 306.381 2.366 20 10 DECDHN CCO[C@@H]1C[N@H+](Cc2c(C)cc(OC)cc2[O-])[C@@H]2CCCO[C@H]12 ZINC001236809908 1138434928 /nfs/dbraw/zinc/43/49/28/1138434928.db2.gz UCYJXNYSQQIGOS-NXHRZFHOSA-N 0 3 321.417 2.478 20 10 DECDHN CCO[C@@H]1C[N@@H+](Cc2c(C)cc(OC)cc2[O-])[C@@H]2CCCO[C@H]12 ZINC001236809908 1138434931 /nfs/dbraw/zinc/43/49/31/1138434931.db2.gz UCYJXNYSQQIGOS-NXHRZFHOSA-N 0 3 321.417 2.478 20 10 DECDHN COC(=O)[C@H]1CCC[N@H+](Cc2c(C)cc(OC)cc2[O-])CC1 ZINC001236815417 1138438595 /nfs/dbraw/zinc/43/85/95/1138438595.db2.gz LIRKNQWJBFITJH-ZDUSSCGKSA-N 0 3 307.390 2.484 20 10 DECDHN COC(=O)[C@H]1CCC[N@@H+](Cc2c(C)cc(OC)cc2[O-])CC1 ZINC001236815417 1138438598 /nfs/dbraw/zinc/43/85/98/1138438598.db2.gz LIRKNQWJBFITJH-ZDUSSCGKSA-N 0 3 307.390 2.484 20 10 DECDHN C[C@H](NC[C@H](O)C(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC001253713155 1142895857 /nfs/dbraw/zinc/89/58/57/1142895857.db2.gz YSIJUDCECSDXJX-WFASDCNBSA-N 0 3 308.422 2.106 20 10 DECDHN CN(C)c1ccc(CN2CCC3(CCN(C)C3=O)CC2)cc1 ZINC000369651432 529780497 /nfs/dbraw/zinc/78/04/97/529780497.db2.gz YCZIVEVYMJCLNV-UHFFFAOYSA-N 0 3 301.434 2.197 20 10 DECDHN C[C@@H]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000066697103 354729469 /nfs/dbraw/zinc/72/94/69/354729469.db2.gz SCCNIPFQQBMYKZ-OAHLLOKOSA-N 0 3 303.450 2.443 20 10 DECDHN CCOc1cccc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c1[O-] ZINC000092218105 193174886 /nfs/dbraw/zinc/17/48/86/193174886.db2.gz XWXRWMYPTOEZQB-INIZCTEOSA-N 0 3 320.433 2.088 20 10 DECDHN CCOc1cccc(C[N@H+]2CCC[C@H]2CN2CCOCC2)c1[O-] ZINC000092218105 193174888 /nfs/dbraw/zinc/17/48/88/193174888.db2.gz XWXRWMYPTOEZQB-INIZCTEOSA-N 0 3 320.433 2.088 20 10 DECDHN C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccccc1[O-] ZINC000272926728 130075476 /nfs/dbraw/zinc/07/54/76/130075476.db2.gz YXAGRVKJVVJVPT-XCRHUMRWSA-N 0 3 304.434 2.421 20 10 DECDHN CN(C)c1ccc(CN(C)C(=O)CC2CCN(C)CC2)cc1 ZINC000273175109 130094582 /nfs/dbraw/zinc/09/45/82/130094582.db2.gz CTWXEJDKSVAGNS-UHFFFAOYSA-N 0 3 303.450 2.443 20 10 DECDHN C[C@H]([NH2+]C[C@H]1CN(C)CCN1C)c1cc2c(cc1[O-])CCCC2 ZINC000273592801 130142316 /nfs/dbraw/zinc/14/23/16/130142316.db2.gz PQUNOARZOKNHJA-YOEHRIQHSA-N 0 3 317.477 2.167 20 10 DECDHN COc1cccc(C[NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)c1[O-] ZINC000275365867 130308529 /nfs/dbraw/zinc/30/85/29/130308529.db2.gz BMCPMRKBUARDMX-WMLDXEAASA-N 0 3 317.389 2.144 20 10 DECDHN COc1ccc([O-])c(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2C)c1 ZINC000275413365 130317445 /nfs/dbraw/zinc/31/74/45/130317445.db2.gz DFRQPLRNAMGACQ-HOCLYGCPSA-N 0 3 317.389 2.144 20 10 DECDHN CN(C)c1ccc(CNC(=O)NCC2(N(C)C)CCC2)cc1F ZINC000275508395 130327453 /nfs/dbraw/zinc/32/74/53/130327453.db2.gz SDHFAICWKVHLHA-UHFFFAOYSA-N 0 3 322.428 2.175 20 10 DECDHN C[C@H]1C[C@@H](N2CCOCC2)CN1Cc1ccc(N(C)C)cc1 ZINC000285835498 131204405 /nfs/dbraw/zinc/20/44/05/131204405.db2.gz HKNPTSSTSWYCBH-MAUKXSAKSA-N 0 3 303.450 2.048 20 10 DECDHN Cc1ccc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c([O-])c1O ZINC000272765158 292063863 /nfs/dbraw/zinc/06/38/63/292063863.db2.gz RCGZHSRUGMIUKG-AWEZNQCLSA-N 0 3 318.417 2.210 20 10 DECDHN CCOc1cccc(CN2CCCN(C(=O)CC)CC2)c1O ZINC000092186981 402002206 /nfs/dbraw/zinc/00/22/06/402002206.db2.gz OCBQIAOLBZYWNN-UHFFFAOYSA-N 0 3 306.406 2.235 20 10 DECDHN C[C@@H](CNC(=O)Cc1ccc(N)cc1)N(C)Cc1ccccc1 ZINC000237557399 402412572 /nfs/dbraw/zinc/41/25/72/402412572.db2.gz OGXASCQLNNNBLE-HNNXBMFYSA-N 0 3 311.429 2.448 20 10 DECDHN CN(Cc1cc2c(cc1O)OCO2)[C@H]1CCCc2c1cnn2C ZINC000162695084 402429189 /nfs/dbraw/zinc/42/91/89/402429189.db2.gz VHCOXJJDNUKSJA-ZDUSSCGKSA-N 0 3 315.373 2.364 20 10 DECDHN COc1ccc(N2CCCN(C(=O)[C@@H](N)C(C)(C)C)CC2)cc1 ZINC000178724540 402530892 /nfs/dbraw/zinc/53/08/92/402530892.db2.gz PIMRVPIEOMPDRG-MRXNPFEDSA-N 0 3 319.449 2.107 20 10 DECDHN Cc1cc([C@](C)(O)C[NH2+]Cc2cc3c(cc2[O-])OCO3)c(C)o1 ZINC000174440162 402741222 /nfs/dbraw/zinc/74/12/22/402741222.db2.gz AQNVARHSIUDZDA-QGZVFWFLSA-N 0 3 319.357 2.328 20 10 DECDHN CCN(CC)c1ccc(CN[C@@H]2C(=O)NCC[C@@H]2C)cc1F ZINC000193684774 402775294 /nfs/dbraw/zinc/77/52/94/402775294.db2.gz LUBWEJHZBIBSCG-LRDDRELGSA-N 0 3 307.413 2.286 20 10 DECDHN Cc1cc(Br)cc(C[N@H+](CCO)C2CC2)c1[O-] ZINC000271748899 402883524 /nfs/dbraw/zinc/88/35/24/402883524.db2.gz UNBTUAFUNGGDFO-UHFFFAOYSA-N 0 3 300.196 2.420 20 10 DECDHN Cc1cc(Br)cc(C[N@@H+](CCO)C2CC2)c1[O-] ZINC000271748899 402883525 /nfs/dbraw/zinc/88/35/25/402883525.db2.gz UNBTUAFUNGGDFO-UHFFFAOYSA-N 0 3 300.196 2.420 20 10 DECDHN CC[C@@H](NCc1cc(OC)c(OC)cc1O)[C@@H](O)C(F)(F)F ZINC000271795470 402884272 /nfs/dbraw/zinc/88/42/72/402884272.db2.gz HSYJXJGMMFHWFB-NOZJJQNGSA-N 0 3 323.311 2.201 20 10 DECDHN COC[C@@H](CO)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000279679098 402961119 /nfs/dbraw/zinc/96/11/19/402961119.db2.gz ITUYSGGNDJRKKU-MRXNPFEDSA-N 0 3 317.385 2.068 20 10 DECDHN CC1(C)C[N@H+](Cc2cc(Br)ccc2[O-])C[C@@H]1O ZINC000280511837 403007796 /nfs/dbraw/zinc/00/77/96/403007796.db2.gz QHUWAUXMBKZBRI-LBPRGKRZSA-N 0 3 300.196 2.357 20 10 DECDHN CC1(C)C[N@@H+](Cc2cc(Br)ccc2[O-])C[C@@H]1O ZINC000280511837 403007799 /nfs/dbraw/zinc/00/77/99/403007799.db2.gz QHUWAUXMBKZBRI-LBPRGKRZSA-N 0 3 300.196 2.357 20 10 DECDHN COc1ccc(O)c([C@H](C)NCC2(S(C)(=O)=O)CCC2)c1 ZINC000281183249 403060454 /nfs/dbraw/zinc/06/04/54/403060454.db2.gz QTYDWHUSSVXPGH-NSHDSACASA-N 0 3 313.419 2.019 20 10 DECDHN CC[C@H](NC[C@@H]1CN(C)CCN1C)c1ccc(N(C)C)cc1 ZINC000268905394 403120655 /nfs/dbraw/zinc/12/06/55/403120655.db2.gz LSMMOVHZADFFMH-MSOLQXFVSA-N 0 3 304.482 2.039 20 10 DECDHN COC(=O)[C@H]1CC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000271080375 403261981 /nfs/dbraw/zinc/26/19/81/403261981.db2.gz INJXTAFKYDSRIA-VIFPVBQESA-N 0 3 314.179 2.150 20 10 DECDHN COC(=O)[C@H]1CC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000271080375 403261982 /nfs/dbraw/zinc/26/19/82/403261982.db2.gz INJXTAFKYDSRIA-VIFPVBQESA-N 0 3 314.179 2.150 20 10 DECDHN CC(C)[C@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)C1(CO)CCC1 ZINC000292871160 403381072 /nfs/dbraw/zinc/38/10/72/403381072.db2.gz WKZCULIPMUVXNX-INIZCTEOSA-N 0 3 307.390 2.398 20 10 DECDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c([O-])c1 ZINC000294002884 403620996 /nfs/dbraw/zinc/62/09/96/403620996.db2.gz CTYBRMGYYDYUBH-KGLIPLIRSA-N 0 3 311.447 2.484 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](O)C23CCCC3)cc1OC ZINC000294073948 403641206 /nfs/dbraw/zinc/64/12/06/403641206.db2.gz YQFJLFDOJJWSBF-MRXNPFEDSA-N 0 3 307.390 2.289 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](O)C23CCCC3)cc1OC ZINC000294073948 403641209 /nfs/dbraw/zinc/64/12/09/403641209.db2.gz YQFJLFDOJJWSBF-MRXNPFEDSA-N 0 3 307.390 2.289 20 10 DECDHN CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+]Cc1cc(F)ccc1[O-] ZINC000295111252 403763569 /nfs/dbraw/zinc/76/35/69/403763569.db2.gz LQSHOECGYDHAME-NHAGDIPZSA-N 0 3 322.380 2.486 20 10 DECDHN CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2c(C)cc(C)cc2[O-])C1 ZINC000294628195 403723710 /nfs/dbraw/zinc/72/37/10/403723710.db2.gz FTYNGDOIRJQPOT-KGLIPLIRSA-N 0 3 305.422 2.463 20 10 DECDHN COc1cccc(CN2CCCC[C@H]2COC(=O)N(C)C)c1O ZINC000289821468 404000706 /nfs/dbraw/zinc/00/07/06/404000706.db2.gz TXVOTDXFLMUDAE-AWEZNQCLSA-N 0 3 322.405 2.454 20 10 DECDHN CC(C)[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)N1CCN(C)CC1 ZINC000295909321 404019314 /nfs/dbraw/zinc/01/93/14/404019314.db2.gz JCZXMMUUZGFQCX-SJORKVTESA-N 0 3 317.477 2.241 20 10 DECDHN CNC(=O)OC[C@H]1CCCCN1Cc1cc(OC)ccc1O ZINC000290277587 404108517 /nfs/dbraw/zinc/10/85/17/404108517.db2.gz YRPKGRMOQUKLTK-CYBMUJFWSA-N 0 3 308.378 2.111 20 10 DECDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1 ZINC000290334151 404129080 /nfs/dbraw/zinc/12/90/80/404129080.db2.gz DYORSNYOYAUZET-AWEZNQCLSA-N 0 3 318.417 2.235 20 10 DECDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1 ZINC000290334151 404129086 /nfs/dbraw/zinc/12/90/86/404129086.db2.gz DYORSNYOYAUZET-AWEZNQCLSA-N 0 3 318.417 2.235 20 10 DECDHN COc1ccc(N2CCN(C[C@H](O)C(C)(C)C)CC2)cc1F ZINC000290461780 404178839 /nfs/dbraw/zinc/17/88/39/404178839.db2.gz WMQZHBUEMBDDJM-INIZCTEOSA-N 0 3 310.413 2.363 20 10 DECDHN Cc1c2ccccc2n(C)c1CNC(=O)N(C)CCN(C)C ZINC000350284372 404358158 /nfs/dbraw/zinc/35/81/58/404358158.db2.gz CXGQNQAXMFOLMC-UHFFFAOYSA-N 0 3 302.422 2.190 20 10 DECDHN C[N@@H+]1CCC[C@H](N2CCN(Cc3cc(Cl)ccc3[O-])CC2)C1 ZINC000367472808 405061653 /nfs/dbraw/zinc/06/16/53/405061653.db2.gz WFMLLHNNGLXXIO-INIZCTEOSA-N 0 3 323.868 2.257 20 10 DECDHN C[N@H+]1CCC[C@H](N2CCN(Cc3cc(Cl)ccc3[O-])CC2)C1 ZINC000367472808 405061656 /nfs/dbraw/zinc/06/16/56/405061656.db2.gz WFMLLHNNGLXXIO-INIZCTEOSA-N 0 3 323.868 2.257 20 10 DECDHN CCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000275674452 225458432 /nfs/dbraw/zinc/45/84/32/225458432.db2.gz VTYHJUZMEWATFV-RDJZCZTQSA-N 0 3 313.401 2.458 20 10 DECDHN CCOc1cccc(C[NH+]2CCC3(CCN(C)C3=O)CC2)c1[O-] ZINC000369800670 227039373 /nfs/dbraw/zinc/03/93/73/227039373.db2.gz WQOHZELVVOOXKD-UHFFFAOYSA-N 0 3 318.417 2.235 20 10 DECDHN CSc1ccc(N(C)C(=O)c2cn[n-]c2[C@H]2CC[NH2+]C2)cc1 ZINC000662586216 425685881 /nfs/dbraw/zinc/68/58/81/425685881.db2.gz QWCKTDRHGCUKKH-NSHDSACASA-N 0 3 316.430 2.485 20 10 DECDHN O=C(c1cn[n-]c1[C@H]1CC[NH2+]C1)N1CCc2c1cccc2Cl ZINC000662605265 425691914 /nfs/dbraw/zinc/69/19/14/425691914.db2.gz KWAOLHUCBVBZHS-JTQLQIEISA-N 0 3 316.792 2.343 20 10 DECDHN Cc1cc(CN(C)[C@@H](C)CN2CCOCC2)ccc1N(C)C ZINC000294000064 301271000 /nfs/dbraw/zinc/27/10/00/301271000.db2.gz FZNUYBGABPFVLX-INIZCTEOSA-N 0 3 305.466 2.214 20 10 DECDHN CN(C)c1ccc(CN[C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000265879563 522211461 /nfs/dbraw/zinc/21/14/61/522211461.db2.gz OEHDBGXDVINKJZ-HOCLYGCPSA-N 0 3 310.463 2.198 20 10 DECDHN COCCNCCNC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000237328859 523939481 /nfs/dbraw/zinc/93/94/81/523939481.db2.gz XABQXJYWNNBEQZ-UHFFFAOYSA-N 0 3 315.417 2.060 20 10 DECDHN Cc1cccc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)c1[O-] ZINC000180031624 524392022 /nfs/dbraw/zinc/39/20/22/524392022.db2.gz SRPRUPUFYCDIFI-MRXNPFEDSA-N 0 3 304.434 2.245 20 10 DECDHN Cc1cccc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)c1[O-] ZINC000180031624 524392029 /nfs/dbraw/zinc/39/20/29/524392029.db2.gz SRPRUPUFYCDIFI-MRXNPFEDSA-N 0 3 304.434 2.245 20 10 DECDHN COc1ccc(N2CCN(CCCn3ccnc3)CC2)cc1F ZINC000182841428 524423739 /nfs/dbraw/zinc/42/37/39/524423739.db2.gz WCHXHNUUYNRCOT-UHFFFAOYSA-N 0 3 318.396 2.243 20 10 DECDHN C[C@@H](NC[C@H]1COC2(CCOCC2)O1)c1ccc(N(C)C)cc1 ZINC000179987835 525507154 /nfs/dbraw/zinc/50/71/54/525507154.db2.gz ZHBOKDZAZVSMIW-PBHICJAKSA-N 0 3 320.433 2.325 20 10 DECDHN COc1cccc(CNC(=O)[C@H](C)N2CCCCCC2)c1O ZINC000266463906 525998571 /nfs/dbraw/zinc/99/85/71/525998571.db2.gz RBFUMXIMMZJFMX-ZDUSSCGKSA-N 0 3 306.406 2.282 20 10 DECDHN CN(C)c1ccc(/C=C\CN(C)[C@H]2CCN3CCO[C@H]2C3)cc1 ZINC000835054994 649872748 /nfs/dbraw/zinc/87/27/48/649872748.db2.gz PBTBCTFMTXXJJQ-DHJFXDNESA-N 0 3 315.461 2.171 20 10 DECDHN CCS(=O)(=O)CCC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000840889579 625435902 /nfs/dbraw/zinc/43/59/02/625435902.db2.gz RWKIDNKWFDZPKK-ZYHUDNBSSA-N 0 3 315.410 2.494 20 10 DECDHN Cc1cc(N(C)C)ccc1CN1CCN(C[C@H]2CCCO2)CC1 ZINC000840910676 625576515 /nfs/dbraw/zinc/57/65/15/625576515.db2.gz WLCNBYIUBCUZJW-LJQANCHMSA-N 0 3 317.477 2.358 20 10 DECDHN F[C@@H]1CC2(CC[C@@H]1NCc1ccc3c(c1)CCO3)OCCO2 ZINC000892794834 625613925 /nfs/dbraw/zinc/61/39/25/625613925.db2.gz XGSMVJIEPSSVQP-CABCVRRESA-N 0 3 307.365 2.345 20 10 DECDHN COC/C(C)=C\C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246169 623789905 /nfs/dbraw/zinc/78/99/05/623789905.db2.gz MTUUSULDGGUKPI-VWILAXROSA-N 0 3 319.449 2.064 20 10 DECDHN CS/C=C\C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891250653 623795991 /nfs/dbraw/zinc/79/59/91/623795991.db2.gz BHWRXJMGLXKINS-WOLCWHLNSA-N 0 3 307.463 2.348 20 10 DECDHN Cc1cnc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000891250740 623796638 /nfs/dbraw/zinc/79/66/38/623796638.db2.gz ZPCPENFEDLORMV-HNNXBMFYSA-N 0 3 316.405 2.082 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)c2ccn(C)c2)N(C)C)cc1 ZINC000891252688 623798660 /nfs/dbraw/zinc/79/86/60/623798660.db2.gz MKJWVEZMEDCRAK-KRWDZBQOSA-N 0 3 314.433 2.124 20 10 DECDHN CS(=O)(=O)C1(CNCc2ccc3c(c2)CCCO3)CCCC1 ZINC000922124489 635881663 /nfs/dbraw/zinc/88/16/63/635881663.db2.gz UAPDACJFPYEEKY-UHFFFAOYSA-N 0 3 323.458 2.459 20 10 DECDHN Nc1ccc(CC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000261552941 635890589 /nfs/dbraw/zinc/89/05/89/635890589.db2.gz SBUZSMAADWUXBL-SFHVURJKSA-N 0 3 309.413 2.202 20 10 DECDHN COc1cc(Br)cc(C[NH2+][C@H]2COC[C@H]2C)c1[O-] ZINC000922641422 636296210 /nfs/dbraw/zinc/29/62/10/636296210.db2.gz LJCVPZQLHWDMAJ-KCJUWKMLSA-N 0 3 316.195 2.288 20 10 DECDHN CC(C)(C)OC(=O)N1CCOC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000924900591 636490371 /nfs/dbraw/zinc/49/03/71/636490371.db2.gz FACIQWIFJOOLFA-CQSZACIVSA-N 0 3 322.405 2.118 20 10 DECDHN CC(=O)c1cc(F)cc(CN2CC[C@@]3(C2)CCCC[NH2+]3)c1[O-] ZINC000923536214 637235048 /nfs/dbraw/zinc/23/50/48/637235048.db2.gz JBGZVKKHCRGKFT-QGZVFWFLSA-N 0 3 306.381 2.452 20 10 DECDHN c1csc(SCCCNCc2cn3cccnc3n2)n1 ZINC000838962653 637728271 /nfs/dbraw/zinc/72/82/71/637728271.db2.gz OAAXDZJDXFQKIH-UHFFFAOYSA-N 0 3 305.432 2.458 20 10 DECDHN CO[C@@H]1COC[C@@H]1NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000839196137 637821996 /nfs/dbraw/zinc/82/19/96/637821996.db2.gz RXZPHYCEPUBFDT-UONOGXRCSA-N 0 3 318.339 2.275 20 10 DECDHN CN(C)c1ccc(CN2CCC3(CC2)COCCO3)cc1F ZINC000895696319 638155255 /nfs/dbraw/zinc/15/52/55/638155255.db2.gz TZSIZXFTWUMHAZ-UHFFFAOYSA-N 0 3 308.397 2.273 20 10 DECDHN COc1cccc([O-])c1C[NH+]1CCC([C@]2(C)COC(=O)N2)CC1 ZINC000896459297 638534207 /nfs/dbraw/zinc/53/42/07/638534207.db2.gz LZBMBFMQCNINKX-KRWDZBQOSA-N 0 3 320.389 2.111 20 10 DECDHN CCOC(=O)c1cccc(C[NH2+]Cc2c([O-])cccc2F)n1 ZINC000896641626 638622196 /nfs/dbraw/zinc/62/21/96/638622196.db2.gz OBFKMZZNYYZEIZ-UHFFFAOYSA-N 0 3 304.321 2.393 20 10 DECDHN CCOC(=O)[C@@H]1CCN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000896960201 639094941 /nfs/dbraw/zinc/09/49/41/639094941.db2.gz KQFDIPNRFPGKEJ-SNVBAGLBSA-N 0 3 313.781 2.439 20 10 DECDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CC(=O)N(C3CC3)C2)c2c1c(F)ccc2[O-] ZINC000756735975 639691183 /nfs/dbraw/zinc/69/11/83/639691183.db2.gz JWNJEBIVCANPNP-GBIKHYSHSA-N 0 3 304.365 2.433 20 10 DECDHN CN(C)CCN(C(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC000897423484 640092238 /nfs/dbraw/zinc/09/22/38/640092238.db2.gz OOETYTVDZFOXTR-UHFFFAOYSA-N 0 3 303.366 2.015 20 10 DECDHN [O-]c1cc2c(cc1C[NH+]1CCc3ccccc3CC1)[C@H](O)CO2 ZINC000768444714 641082845 /nfs/dbraw/zinc/08/28/45/641082845.db2.gz BPEMNSLYTCEUFY-GOSISDBHSA-N 0 3 311.381 2.419 20 10 DECDHN COc1cccc(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1O ZINC000769381383 641229292 /nfs/dbraw/zinc/22/92/92/641229292.db2.gz OPJRBEZSVUHLGX-ZWNOBZJWSA-N 0 3 305.296 2.288 20 10 DECDHN COc1cccc([O-])c1C[N@H+](CCO)CCc1ccccc1 ZINC000769428330 641238436 /nfs/dbraw/zinc/23/84/36/641238436.db2.gz YNMKQCLFBQLPFJ-UHFFFAOYSA-N 0 3 301.386 2.438 20 10 DECDHN COc1cccc([O-])c1C[N@@H+](CCO)CCc1ccccc1 ZINC000769428330 641238446 /nfs/dbraw/zinc/23/84/46/641238446.db2.gz YNMKQCLFBQLPFJ-UHFFFAOYSA-N 0 3 301.386 2.438 20 10 DECDHN CCOc1ccc(C[N@@H+]2CC[C@@H](COCCOC)C2)c([O-])c1 ZINC000769508585 641253018 /nfs/dbraw/zinc/25/30/18/641253018.db2.gz RZCQTMUHHFKSOB-CQSZACIVSA-N 0 3 309.406 2.276 20 10 DECDHN CCOc1ccc(C[N@H+]2CC[C@@H](COCCOC)C2)c([O-])c1 ZINC000769508585 641253021 /nfs/dbraw/zinc/25/30/21/641253021.db2.gz RZCQTMUHHFKSOB-CQSZACIVSA-N 0 3 309.406 2.276 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c([O-])c1 ZINC000770282024 641353422 /nfs/dbraw/zinc/35/34/22/641353422.db2.gz PQNMXPKRSCJUEA-ZBFHGGJFSA-N 0 3 309.431 2.497 20 10 DECDHN CCOc1ccc(C[N@H+]2CCS[C@H]3COCC[C@H]32)c([O-])c1 ZINC000770282024 641353429 /nfs/dbraw/zinc/35/34/29/641353429.db2.gz PQNMXPKRSCJUEA-ZBFHGGJFSA-N 0 3 309.431 2.497 20 10 DECDHN COC(=O)C[C@]1(NCc2ccc(N(C)C)c(F)c2)CCCOC1 ZINC000770675408 641406887 /nfs/dbraw/zinc/40/68/87/641406887.db2.gz FDPODIZWWCXNFX-QGZVFWFLSA-N 0 3 324.396 2.094 20 10 DECDHN C[C@@H](N[C@H](Cc1ccccc1)C(N)=O)c1ccc(N(C)C)cc1 ZINC000774480044 641908906 /nfs/dbraw/zinc/90/89/06/641908906.db2.gz YVQHQCMPRRKLPY-RDTXWAMCSA-N 0 3 311.429 2.500 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)N2CCCCO2)N(C)C)cc1 ZINC000899103634 641935465 /nfs/dbraw/zinc/93/54/65/641935465.db2.gz NRLPPIKMRMPUBF-INIZCTEOSA-N 0 3 320.437 2.092 20 10 DECDHN COC(=O)/C(C)=C/CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775255933 642022430 /nfs/dbraw/zinc/02/24/30/642022430.db2.gz SBDZTOXRYCKAKQ-NHXNDTTKSA-N 0 3 318.417 2.293 20 10 DECDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCCS(=O)(=O)C2)c1[O-] ZINC000776214055 642144877 /nfs/dbraw/zinc/14/48/77/642144877.db2.gz ZDSGWIHDNQHGEL-LBPRGKRZSA-N 0 3 303.811 2.021 20 10 DECDHN CNC(=O)C1([NH2+]Cc2cc(Cl)cc(OC)c2[O-])CCCC1 ZINC000779175373 642469066 /nfs/dbraw/zinc/46/90/66/642469066.db2.gz FAYAGIAGEPWKSN-UHFFFAOYSA-N 0 3 312.797 2.203 20 10 DECDHN CCOc1ccc(C[NH+]2CCC(Cn3cncn3)CC2)c([O-])c1 ZINC000779190702 642470652 /nfs/dbraw/zinc/47/06/52/642470652.db2.gz FGYZHDSYUDQWSG-UHFFFAOYSA-N 0 3 316.405 2.295 20 10 DECDHN CC1(C)CN(Cc2ccc(N3CCOCC3)c(F)c2)CC[C@@H]1O ZINC000783730202 643043895 /nfs/dbraw/zinc/04/38/95/643043895.db2.gz SAODNPVXFBSSQY-KRWDZBQOSA-N 0 3 322.424 2.255 20 10 DECDHN CCOc1ccc(C[NH2+]CC(C)(C)[C@@]2(O)CCOC2)c([O-])c1 ZINC000842758565 650818545 /nfs/dbraw/zinc/81/85/45/650818545.db2.gz MDSIKLIPNLUOJI-QGZVFWFLSA-N 0 3 309.406 2.058 20 10 DECDHN C[C@H]([NH2+]C[C@]1(c2cnn(C)c2)CCCO1)c1ccccc1[O-] ZINC000903355818 643325955 /nfs/dbraw/zinc/32/59/55/643325955.db2.gz KJRWEBMLBNYFHB-GUYCJALGSA-N 0 3 301.390 2.482 20 10 DECDHN CC[C@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1ccccc1[O-] ZINC000903372157 643330643 /nfs/dbraw/zinc/33/06/43/643330643.db2.gz IPRGCNZUKKLLRH-HNNXBMFYSA-N 0 3 321.417 2.481 20 10 DECDHN Cc1nonc1[C@H](C)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903448600 643354805 /nfs/dbraw/zinc/35/48/05/643354805.db2.gz QRSLQZSPQZTYCP-LRDDRELGSA-N 0 3 317.437 2.398 20 10 DECDHN Cc1nonc1[C@@H](C)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903448602 643354887 /nfs/dbraw/zinc/35/48/87/643354887.db2.gz QRSLQZSPQZTYCP-WBMJQRKESA-N 0 3 317.437 2.398 20 10 DECDHN [O-]c1cc2c(cc1C[NH+]1CCC3(CCOCC3)CC1)[C@@H](O)CO2 ZINC000789529941 643743742 /nfs/dbraw/zinc/74/37/42/643743742.db2.gz MVFJHBFSUBKTDZ-INIZCTEOSA-N 0 3 319.401 2.211 20 10 DECDHN CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000790616319 643872853 /nfs/dbraw/zinc/87/28/53/643872853.db2.gz VSVIGDQDRXGHKO-ZDUSSCGKSA-N 0 3 306.406 2.482 20 10 DECDHN CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000790616319 643872856 /nfs/dbraw/zinc/87/28/56/643872856.db2.gz VSVIGDQDRXGHKO-ZDUSSCGKSA-N 0 3 306.406 2.482 20 10 DECDHN COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC)cc2[O-])[C@H]1C ZINC000793387274 644243531 /nfs/dbraw/zinc/24/35/31/644243531.db2.gz BQSMKGCTXBYOJM-SLEUVZQESA-N 0 3 307.390 2.468 20 10 DECDHN CC[C@H]1CN(Cc2cc(OC)c(C)cc2O)C[C@]2(CCOC2)O1 ZINC000794693710 644461786 /nfs/dbraw/zinc/46/17/86/644461786.db2.gz KIHOYQAFPZXMMG-YJBOKZPZSA-N 0 3 321.417 2.479 20 10 DECDHN COc1cc(CN2C[C@@]3(CCOC3)OC(C)(C)C2)c(O)cc1C ZINC000794696026 644463416 /nfs/dbraw/zinc/46/34/16/644463416.db2.gz UFSTWLQNUXBUJA-GOSISDBHSA-N 0 3 321.417 2.479 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](c3ccccn3)C1)[C@@H](O)CO2 ZINC000799158394 645135743 /nfs/dbraw/zinc/13/57/43/645135743.db2.gz KGVNKWFLMZVATO-PXAZEXFGSA-N 0 3 312.369 2.203 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](c3ccccn3)C1)[C@@H](O)CO2 ZINC000799158394 645135748 /nfs/dbraw/zinc/13/57/48/645135748.db2.gz KGVNKWFLMZVATO-PXAZEXFGSA-N 0 3 312.369 2.203 20 10 DECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC2CS(=O)(=O)C2)c1[O-] ZINC000808716356 645303680 /nfs/dbraw/zinc/30/36/80/645303680.db2.gz VWCJKVDBHWAYRW-SNVBAGLBSA-N 0 3 317.838 2.439 20 10 DECDHN CCOc1ccc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c([O-])c1 ZINC000809700712 646265976 /nfs/dbraw/zinc/26/59/76/646265976.db2.gz MZZIYBHJWDVJQI-GDBMZVCRSA-N 0 3 320.433 2.086 20 10 DECDHN CCOc1ccc(C[N@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c([O-])c1 ZINC000809700712 646265981 /nfs/dbraw/zinc/26/59/81/646265981.db2.gz MZZIYBHJWDVJQI-GDBMZVCRSA-N 0 3 320.433 2.086 20 10 DECDHN Cc1cc(Br)c([O-])c(C[N@@H+](C)CCN(C)C)c1 ZINC000809730001 646269435 /nfs/dbraw/zinc/26/94/35/646269435.db2.gz WHBZSGVOZIFANI-UHFFFAOYSA-N 0 3 301.228 2.457 20 10 DECDHN Cc1cc(Br)c([O-])c(C[N@H+](C)CCN(C)C)c1 ZINC000809730001 646269439 /nfs/dbraw/zinc/26/94/39/646269439.db2.gz WHBZSGVOZIFANI-UHFFFAOYSA-N 0 3 301.228 2.457 20 10 DECDHN Cc1cc(Br)c([O-])c(CN(C)CC[NH+](C)C)c1 ZINC000809730001 646269441 /nfs/dbraw/zinc/26/94/41/646269441.db2.gz WHBZSGVOZIFANI-UHFFFAOYSA-N 0 3 301.228 2.457 20 10 DECDHN COC(=O)c1ccc(CNCc2c(O)cccc2OC)cc1 ZINC000809733241 646271060 /nfs/dbraw/zinc/27/10/60/646271060.db2.gz SKXCVOHWWCOXFX-UHFFFAOYSA-N 0 3 301.342 2.477 20 10 DECDHN C[C@@H](CO)N(C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000809743307 646273505 /nfs/dbraw/zinc/27/35/05/646273505.db2.gz VXJJVNKAJJLAKY-ZDUSSCGKSA-N 0 3 307.394 2.398 20 10 DECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](CCNC(C)=O)C1 ZINC000809778978 646282067 /nfs/dbraw/zinc/28/20/67/646282067.db2.gz ZTMQTYPNTFSDLQ-AWEZNQCLSA-N 0 3 306.406 2.139 20 10 DECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](CCNC(C)=O)C1 ZINC000809778978 646282074 /nfs/dbraw/zinc/28/20/74/646282074.db2.gz ZTMQTYPNTFSDLQ-AWEZNQCLSA-N 0 3 306.406 2.139 20 10 DECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](CCNC(C)=O)C1 ZINC000809778979 646282779 /nfs/dbraw/zinc/28/27/79/646282779.db2.gz ZTMQTYPNTFSDLQ-CQSZACIVSA-N 0 3 306.406 2.139 20 10 DECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](CCNC(C)=O)C1 ZINC000809778979 646282785 /nfs/dbraw/zinc/28/27/85/646282785.db2.gz ZTMQTYPNTFSDLQ-CQSZACIVSA-N 0 3 306.406 2.139 20 10 DECDHN Cc1cc(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)ccc1N(C)C ZINC000815037895 646958316 /nfs/dbraw/zinc/95/83/16/646958316.db2.gz YUOPLAZQXIKCSY-MOPGFXCFSA-N 0 3 317.477 2.092 20 10 DECDHN COc1cccc([O-])c1C[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000816625089 647160377 /nfs/dbraw/zinc/16/03/77/647160377.db2.gz QXDUTDFQSJZMNJ-HNNXBMFYSA-N 0 3 301.386 2.436 20 10 DECDHN COc1cccc([O-])c1C[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000816625089 647160378 /nfs/dbraw/zinc/16/03/78/647160378.db2.gz QXDUTDFQSJZMNJ-HNNXBMFYSA-N 0 3 301.386 2.436 20 10 DECDHN CCOc1ccc(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)c([O-])c1 ZINC000816666136 647165523 /nfs/dbraw/zinc/16/55/23/647165523.db2.gz FOEZUGBSTDAUQQ-ZWKOTPCHSA-N 0 3 321.417 2.201 20 10 DECDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])[C@H]1n1cccn1 ZINC000816672092 647167048 /nfs/dbraw/zinc/16/70/48/647167048.db2.gz PKAVXMLJLOKRDF-FVQBIDKESA-N 0 3 305.353 2.236 20 10 DECDHN CN(CCN1CCCCC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000824253133 648553229 /nfs/dbraw/zinc/55/32/29/648553229.db2.gz LJULHJVAQHEWTL-UHFFFAOYSA-N 0 3 317.393 2.407 20 10 DECDHN CC[C@@H](CO)N1CCN(Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824882702 648666211 /nfs/dbraw/zinc/66/62/11/648666211.db2.gz BUVDYXBTZRPRCE-AWEZNQCLSA-N 0 3 312.841 2.243 20 10 DECDHN CO[C@]1(CO)CCCN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000826952859 648951807 /nfs/dbraw/zinc/95/18/07/648951807.db2.gz VJMDQVIEJRJLSW-MJICGBHWSA-N 0 3 304.434 2.239 20 10 DECDHN N[C@H](Cc1ccccc1)C(=O)NCCCSc1nccs1 ZINC000829528257 649319366 /nfs/dbraw/zinc/31/93/66/649319366.db2.gz NOMVDTGCLSAQRI-CYBMUJFWSA-N 0 3 321.471 2.312 20 10 DECDHN N[C@H](Cc1ccccc1)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597124 649465705 /nfs/dbraw/zinc/46/57/05/649465705.db2.gz AEUHTAWKCBTWII-GOSISDBHSA-N 0 3 324.424 2.457 20 10 DECDHN CO[C@H](CNCc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000733329622 649543844 /nfs/dbraw/zinc/54/38/44/649543844.db2.gz IDOFNZNWPCUCLF-CQSZACIVSA-N 0 3 318.339 2.190 20 10 DECDHN COc1ccc(N(C)CCN(C)C[C@H]2CC3(CC3)C(=O)O2)cc1 ZINC000844400321 651122789 /nfs/dbraw/zinc/12/27/89/651122789.db2.gz AMZRRCJSQAFPKP-MRXNPFEDSA-N 0 3 318.417 2.159 20 10 DECDHN COc1cc(Br)cc(C[N@H+](C)[C@H](C)CCO)c1[O-] ZINC000846109113 651308395 /nfs/dbraw/zinc/30/83/95/651308395.db2.gz DCALBVBYWVVSCH-SECBINFHSA-N 0 3 318.211 2.366 20 10 DECDHN COc1cc(Br)cc(C[N@@H+](C)[C@H](C)CCO)c1[O-] ZINC000846109113 651308396 /nfs/dbraw/zinc/30/83/96/651308396.db2.gz DCALBVBYWVVSCH-SECBINFHSA-N 0 3 318.211 2.366 20 10 DECDHN COc1cc(Br)cc([C@@H](C)[NH2+]C/C=C\CO)c1[O-] ZINC000850508448 651941217 /nfs/dbraw/zinc/94/12/17/651941217.db2.gz MQYGMEVCRVUROR-ZBJFTSOASA-N 0 3 316.195 2.362 20 10 DECDHN [O-]c1cccc2c1[C@@H]([NH2+]C1CCN([C@@H]3CCOC3)CC1)CC2 ZINC000850554757 651952863 /nfs/dbraw/zinc/95/28/63/651952863.db2.gz FQLJXMDBOKHDAZ-CVEARBPZSA-N 0 3 302.418 2.222 20 10 DECDHN CC(C)COC[C@H](O)CNCc1cc(F)c(N(C)C)cc1F ZINC000858106721 652256370 /nfs/dbraw/zinc/25/63/70/652256370.db2.gz PQZVSYPAXWOGQL-CYBMUJFWSA-N 0 3 316.392 2.154 20 10 DECDHN Cc1nc2n(n1)C[C@H](NCc1cc(F)c(N(C)C)cc1F)CC2 ZINC000858121931 652259956 /nfs/dbraw/zinc/25/99/56/652259956.db2.gz NPGUIJBGFFEFSY-GFCCVEGCSA-N 0 3 321.375 2.035 20 10 DECDHN COc1cccc([O-])c1C[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000858292700 652298021 /nfs/dbraw/zinc/29/80/21/652298021.db2.gz LXEZUPRWTKKRHW-UHFFFAOYSA-N 0 3 306.406 2.139 20 10 DECDHN CCN(C)c1ccc(CN2CC[C@H](N(C)C(=O)N(C)C)C2)cc1 ZINC000852652810 652433581 /nfs/dbraw/zinc/43/35/81/652433581.db2.gz FMNRPKJWDSCWCU-KRWDZBQOSA-N 0 3 318.465 2.330 20 10 DECDHN COC(=O)CCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000859056288 685645549 /nfs/dbraw/zinc/64/55/49/685645549.db2.gz WENWEABILQKWCW-UHFFFAOYSA-N 0 3 306.406 2.161 20 10 DECDHN C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccc2cccnc2c1O ZINC000862028003 686225788 /nfs/dbraw/zinc/22/57/88/686225788.db2.gz MTAQKGPMFIXTND-STQMWFEESA-N 0 3 313.401 2.429 20 10 DECDHN COc1cc(CN2C[C@@H](CO)[C@H](C(F)(F)F)C2)c(O)cc1C ZINC000872688163 689065640 /nfs/dbraw/zinc/06/56/40/689065640.db2.gz LDFLECRDPYFXGD-NWDGAFQWSA-N 0 3 319.323 2.312 20 10 DECDHN COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccccc2[O-])cc1 ZINC000873190720 689179682 /nfs/dbraw/zinc/17/96/82/689179682.db2.gz CXARGCQPRIFTHD-SFHVURJKSA-N 0 3 301.386 2.484 20 10 DECDHN Cc1cccc([O-])c1C[NH2+]CCNC(=O)Cc1cccc(F)c1 ZINC000876873348 689960298 /nfs/dbraw/zinc/96/02/98/689960298.db2.gz DHXXYJQVHKCFNW-UHFFFAOYSA-N 0 3 316.376 2.288 20 10 DECDHN Cc1cc(C)nc(N2CCN(Cc3c(C)cccc3O)CC2)n1 ZINC000877195889 690043181 /nfs/dbraw/zinc/04/31/81/690043181.db2.gz QDMVOHXYPOLHQG-UHFFFAOYSA-N 0 3 312.417 2.430 20 10 DECDHN Cc1ccc(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)c([O-])c1 ZINC000877478908 690125384 /nfs/dbraw/zinc/12/53/84/690125384.db2.gz QQSWJMBZFMRAOO-MRXNPFEDSA-N 0 3 301.390 2.369 20 10 DECDHN Cc1ccc(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)c([O-])c1 ZINC000877619876 690170090 /nfs/dbraw/zinc/17/00/90/690170090.db2.gz BADLINYDZBZNLW-KRWDZBQOSA-N 0 3 304.434 2.387 20 10 DECDHN Cc1ccc(C[N@H+]2CCC[C@H](N3CCOCC3)CC2)c([O-])c1 ZINC000877619876 690170093 /nfs/dbraw/zinc/17/00/93/690170093.db2.gz BADLINYDZBZNLW-KRWDZBQOSA-N 0 3 304.434 2.387 20 10 DECDHN Cc1ccc(C[NH+]2CCC([C@@H](O)c3ccnn3C)CC2)c([O-])c1 ZINC000877646095 690178695 /nfs/dbraw/zinc/17/86/95/690178695.db2.gz CVZDGQAMYVDZQJ-GOSISDBHSA-N 0 3 315.417 2.380 20 10 DECDHN CNS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000879650335 690699235 /nfs/dbraw/zinc/69/92/35/690699235.db2.gz VOPMDMOFRNEKGA-LBPRGKRZSA-N 0 3 320.414 2.151 20 10 DECDHN COC1CCN(c2ccc(CN3CC=C[C@@H]3CO)cc2)CC1 ZINC000880491428 690911108 /nfs/dbraw/zinc/91/11/08/690911108.db2.gz JFEPVKVJZBFDQG-QGZVFWFLSA-N 0 3 302.418 2.035 20 10 DECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCC2(CCOCC2)CO1 ZINC000883256223 691466554 /nfs/dbraw/zinc/46/65/54/691466554.db2.gz QULPQMYRKVHVCL-AWEZNQCLSA-N 0 3 321.417 2.466 20 10 DECDHN CCN1CCN(CCC[NH2+][C@H](C)c2c([O-])cccc2F)CC1 ZINC000886502938 692095230 /nfs/dbraw/zinc/09/52/30/692095230.db2.gz USDZFAJSQFQVAV-CQSZACIVSA-N 0 3 309.429 2.210 20 10 DECDHN C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000895328475 692995454 /nfs/dbraw/zinc/99/54/54/692995454.db2.gz GKPFGPYTHOJNIX-HKUYNNGSSA-N 0 3 313.397 2.377 20 10 DECDHN C[C@@]1(CO)C[C@H](O)C[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000895328475 692995455 /nfs/dbraw/zinc/99/54/55/692995455.db2.gz GKPFGPYTHOJNIX-HKUYNNGSSA-N 0 3 313.397 2.377 20 10 DECDHN Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@@H](C)c1cnn(C)n1 ZINC000926596585 693477338 /nfs/dbraw/zinc/47/73/38/693477338.db2.gz QCCLKAFBVGMGIO-KGLIPLIRSA-N 0 3 301.438 2.471 20 10 DECDHN COc1ccc(N2CC[C@H](N[C@@H]3CCC3(OC)OC)C2)cc1 ZINC000926681240 693491982 /nfs/dbraw/zinc/49/19/82/693491982.db2.gz XBVAWZAMQVVKRA-XJKSGUPXSA-N 0 3 306.406 2.015 20 10 DECDHN Nc1ccc(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC001346151146 1150945550 /nfs/dbraw/zinc/94/55/50/1150945550.db2.gz SLKLPZAGYLHBHF-SFHVURJKSA-N 0 3 324.428 2.343 20 10 DECDHN O=C1N[C@@H]2CN(Cc3ccc(N4CCCC4)cc3)CC[C@H]2CO1 ZINC001349402893 1151247054 /nfs/dbraw/zinc/24/70/54/1151247054.db2.gz FUCFIYSWNWBEER-DOTOQJQBSA-N 0 3 315.417 2.217 20 10 DECDHN CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2ccccc2[O-])CC1=O ZINC001171686264 793187720 /nfs/dbraw/zinc/18/77/20/793187720.db2.gz VFAXIFGPZXIYMV-LBPRGKRZSA-N 0 3 306.362 2.018 20 10 DECDHN CCn1ccc(CNC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC001179751989 795171639 /nfs/dbraw/zinc/17/16/39/795171639.db2.gz RTKWIMMPFQMFFA-GOSISDBHSA-N 0 3 315.465 2.362 20 10 DECDHN CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204279290 795368595 /nfs/dbraw/zinc/36/85/95/795368595.db2.gz VZKLIVPMRQTIMR-GFCCVEGCSA-N 0 3 322.405 2.444 20 10 DECDHN CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204279290 795368601 /nfs/dbraw/zinc/36/86/01/795368601.db2.gz VZKLIVPMRQTIMR-GFCCVEGCSA-N 0 3 322.405 2.444 20 10 DECDHN COc1cc(Br)cc(C[N@H+](C)CC2COC2)c1[O-] ZINC001204339675 795666155 /nfs/dbraw/zinc/66/61/55/795666155.db2.gz OLZOBYAIOREEJB-UHFFFAOYSA-N 0 3 316.195 2.242 20 10 DECDHN COc1cc(Br)cc(C[N@@H+](C)CC2COC2)c1[O-] ZINC001204339675 795666156 /nfs/dbraw/zinc/66/61/56/795666156.db2.gz OLZOBYAIOREEJB-UHFFFAOYSA-N 0 3 316.195 2.242 20 10 DECDHN Cc1ccc(C(=O)N2CCN(C3CCCC3)[C@H](C)C2)c(O)c1O ZINC001123943384 796006789 /nfs/dbraw/zinc/00/67/89/796006789.db2.gz MJFFEAIDEUEIIC-CYBMUJFWSA-N 0 3 318.417 2.495 20 10 DECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H](Oc2cnccn2)C1 ZINC001140060064 796472024 /nfs/dbraw/zinc/47/20/24/796472024.db2.gz JNAJLJSXDBKTHH-CQSZACIVSA-N 0 3 303.337 2.365 20 10 DECDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H](Oc2cnccn2)C1 ZINC001140060064 796472028 /nfs/dbraw/zinc/47/20/28/796472028.db2.gz JNAJLJSXDBKTHH-CQSZACIVSA-N 0 3 303.337 2.365 20 10 DECDHN COC(=O)[C@@H]1CCC[N@H+](Cc2c([O-])cc(OC)cc2OC)[C@@H]1C ZINC001141029283 796621006 /nfs/dbraw/zinc/62/10/06/796621006.db2.gz NZOGRJRBTJIMJX-DGCLKSJQSA-N 0 3 323.389 2.183 20 10 DECDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])cc(OC)cc2OC)[C@@H]1C ZINC001141029283 796621010 /nfs/dbraw/zinc/62/10/10/796621010.db2.gz NZOGRJRBTJIMJX-DGCLKSJQSA-N 0 3 323.389 2.183 20 10 DECDHN [NH3+]Cc1cc(NCc2cc(Cl)c3cccnc3c2[O-])ncn1 ZINC001157724985 798266735 /nfs/dbraw/zinc/26/67/35/798266735.db2.gz ZTOVRYMRZLRDHQ-UHFFFAOYSA-N 0 3 315.764 2.455 20 10 DECDHN N[C@H]1CN(Cc2cc(OCc3ccccc3)ccc2O)C[C@H]1F ZINC001204836407 800264921 /nfs/dbraw/zinc/26/49/21/800264921.db2.gz GNWKOLBCXZNBFI-SJORKVTESA-N 0 3 316.376 2.452 20 10 DECDHN CCOC(=O)C1(C)CCN(Cc2cc(OC)c(O)cc2O)CC1 ZINC001231635747 801700272 /nfs/dbraw/zinc/70/02/72/801700272.db2.gz JPKXXDXQUKXROA-UHFFFAOYSA-N 0 3 323.389 2.272 20 10 DECDHN CCCNC(=O)[C@@H]1CCCCN1Cc1ccc(N(C)C)cc1O ZINC001232838432 801969892 /nfs/dbraw/zinc/96/98/92/801969892.db2.gz FKJWOOYDTZWASF-INIZCTEOSA-N 0 3 319.449 2.339 20 10 DECDHN O=c1cc2[nH]cnc(O[C@H]3CNCc4ccccc43)c-2cc1O ZINC001218490040 802190255 /nfs/dbraw/zinc/19/02/55/802190255.db2.gz QTWUOAIVTQYHGU-INIZCTEOSA-N 0 3 309.325 2.264 20 10 DECDHN CN1CC2(C1)CC[N@H+](Cc1cccc(OC(F)(F)F)c1[O-])C2 ZINC001233768746 802203885 /nfs/dbraw/zinc/20/38/85/802203885.db2.gz YHFDCPLHJZQSBF-UHFFFAOYSA-N 0 3 316.323 2.428 20 10 DECDHN CN1CC2(C1)CC[N@@H+](Cc1cccc(OC(F)(F)F)c1[O-])C2 ZINC001233768746 802203895 /nfs/dbraw/zinc/20/38/95/802203895.db2.gz YHFDCPLHJZQSBF-UHFFFAOYSA-N 0 3 316.323 2.428 20 10 DECDHN CNC(=O)CC[N@H+](C)Cc1c([O-])ccc2ccc(OC)cc21 ZINC001234553147 802413211 /nfs/dbraw/zinc/41/32/11/802413211.db2.gz WTEYOVKNUPLDTM-UHFFFAOYSA-N 0 3 302.374 2.122 20 10 DECDHN CNC(=O)CC[N@@H+](C)Cc1c([O-])ccc2ccc(OC)cc21 ZINC001234553147 802413213 /nfs/dbraw/zinc/41/32/13/802413213.db2.gz WTEYOVKNUPLDTM-UHFFFAOYSA-N 0 3 302.374 2.122 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@H+](C)CCC(=O)N(C)C)c2c1 ZINC001234561823 802415401 /nfs/dbraw/zinc/41/54/01/802415401.db2.gz BZNQKJPHGQIJBZ-UHFFFAOYSA-N 0 3 316.401 2.464 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@@H+](C)CCC(=O)N(C)C)c2c1 ZINC001234561823 802415404 /nfs/dbraw/zinc/41/54/04/802415404.db2.gz BZNQKJPHGQIJBZ-UHFFFAOYSA-N 0 3 316.401 2.464 20 10 DECDHN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCCCN2C)c1 ZINC001345393158 1150886857 /nfs/dbraw/zinc/88/68/57/1150886857.db2.gz RXSZRXQCWWNCBU-STQMWFEESA-N 0 3 321.421 2.245 20 10 DECDHN C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1cc(C(=O)[O-])ccc1[O-] ZINC001593285621 994637320 /nfs/dbraw/zinc/63/73/20/994637320.db2.gz HGTBAMOUHQBBTP-RGYTYGDFSA-N 0 3 304.390 2.273 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c([O-])c1 ZINC001474554133 1060893427 /nfs/dbraw/zinc/89/34/27/1060893427.db2.gz FABQNCMWXAOOPJ-CQSZACIVSA-N 0 3 318.417 2.154 20 10 DECDHN COc1cc(C)c(C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c([O-])c1 ZINC001474554133 1060893435 /nfs/dbraw/zinc/89/34/35/1060893435.db2.gz FABQNCMWXAOOPJ-CQSZACIVSA-N 0 3 318.417 2.154 20 10 DECDHN COCCN(C/C=C\c1ccc(N(C)C)cc1)CCC(=O)OC ZINC001621182932 1078170872 /nfs/dbraw/zinc/17/08/72/1078170872.db2.gz PSTSRUZPYABNHU-WAYWQWQTSA-N 0 3 320.433 2.277 20 10 DECDHN O=C(NCc1c([O-])cccc1F)C1C[NH+](C2CCCCC2)C1 ZINC001635367087 1078449158 /nfs/dbraw/zinc/44/91/58/1078449158.db2.gz YIRPVQBVDPJJTL-UHFFFAOYSA-N 0 3 306.381 2.412 20 10 DECDHN COc1cccc(CNC(=O)[C@@H](N)CC2CCCCC2)c1O ZINC001579277271 1067286648 /nfs/dbraw/zinc/28/66/48/1067286648.db2.gz BJTQRMPDFOTFKP-AWEZNQCLSA-N 0 3 306.406 2.315 20 10 DECDHN CSCC[C@H](N)C(=O)NCc1c(O)ccc2ccccc21 ZINC001579379234 1067319460 /nfs/dbraw/zinc/31/94/60/1067319460.db2.gz YZVBJFBXZFYWOV-AWEZNQCLSA-N 0 3 304.415 2.242 20 10 DECDHN CC[C@H](C)N1CC[C@@]2(CCCN2Cc2cc(O)ccc2O)C1=O ZINC001272385555 1078845341 /nfs/dbraw/zinc/84/53/41/1078845341.db2.gz BYGIDYNHOGTFDN-UGSOOPFHSA-N 0 3 318.417 2.463 20 10 DECDHN COc1ccc(CNC2(CNC(=O)[C@H](C)SC)CC2)cc1C ZINC001483720007 1078865951 /nfs/dbraw/zinc/86/59/51/1078865951.db2.gz UGSYTDBAOFTPMM-ZDUSSCGKSA-N 0 3 322.474 2.494 20 10 DECDHN C[C@H]([NH2+]CCN1C(=O)c2ccccc2C1=O)c1ccccc1[O-] ZINC001560074944 1075132390 /nfs/dbraw/zinc/13/23/90/1075132390.db2.gz MFZAIRNRRYGKHF-LBPRGKRZSA-N 0 3 310.353 2.339 20 10 DECDHN CN(C)c1ccc(/C=C/C(=O)N2CCC3(CN(C)C3)CC2)cc1 ZINC001270932152 1081842677 /nfs/dbraw/zinc/84/26/77/1081842677.db2.gz KZKCARJDEKYYMJ-RMKNXTFCSA-N 0 3 313.445 2.320 20 10 DECDHN CN(C)C(=O)[C@H]1CCC[C@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001277441938 1083971207 /nfs/dbraw/zinc/97/12/07/1083971207.db2.gz RUCNPENRVJFWGU-CRAIPNDOSA-N 0 3 302.418 2.473 20 10 DECDHN CN(C)C(=O)[C@H]1CCC[C@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001277441938 1083971216 /nfs/dbraw/zinc/97/12/16/1083971216.db2.gz RUCNPENRVJFWGU-CRAIPNDOSA-N 0 3 302.418 2.473 20 10 DECDHN Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)N(C)C)c([O-])c1 ZINC001277569051 1084039558 /nfs/dbraw/zinc/03/95/58/1084039558.db2.gz TXKYXFCXBMUETN-SCAQPMJSSA-N 0 3 302.418 2.247 20 10 DECDHN Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)N(C)C)c([O-])c1 ZINC001277569051 1084039569 /nfs/dbraw/zinc/03/95/69/1084039569.db2.gz TXKYXFCXBMUETN-SCAQPMJSSA-N 0 3 302.418 2.247 20 10 DECDHN CCC[C@@H]1CNCC[N@@H+]1Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001236130930 1084619020 /nfs/dbraw/zinc/61/90/20/1084619020.db2.gz LSUOXQHHTNNNKK-CYBMUJFWSA-N 0 3 316.401 2.381 20 10 DECDHN CCC[C@@H]1CNCC[N@H+]1Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001236130930 1084619024 /nfs/dbraw/zinc/61/90/24/1084619024.db2.gz LSUOXQHHTNNNKK-CYBMUJFWSA-N 0 3 316.401 2.381 20 10 DECDHN CCCCN1CC[C@]2(CCCN2Cc2ccc(O)cc2O)C1=O ZINC001272982459 1085778402 /nfs/dbraw/zinc/77/84/02/1085778402.db2.gz IVXBLLJFNAJTPU-GOSISDBHSA-N 0 3 318.417 2.465 20 10 DECDHN Cc1nccn1CC[NH2+]Cc1c([O-])cccc1Br ZINC000706807764 1086651977 /nfs/dbraw/zinc/65/19/77/1086651977.db2.gz DZIBCMQHPHLAOF-UHFFFAOYSA-N 0 3 310.195 2.449 20 10 DECDHN CN1CC[C@@]2(CCCN2Cc2ccc3c(c2)CCCN3C)C1=O ZINC001273321100 1091036913 /nfs/dbraw/zinc/03/69/13/1091036913.db2.gz NWWIKXZRXMVESX-IBGZPJMESA-N 0 3 313.445 2.266 20 10 DECDHN CCOC(=O)[C@@H]1CCN(Cc2ccc(CC)cc2O)CCC1=O ZINC001236788835 1138428096 /nfs/dbraw/zinc/42/80/96/1138428096.db2.gz PHYDILLYAMHIRJ-OAHLLOKOSA-N 0 3 319.401 2.299 20 10 DECDHN COc1cc(C)c(CN2CCN(c3cccnc3)CC2)c(O)c1 ZINC001236807204 1138434955 /nfs/dbraw/zinc/43/49/55/1138434955.db2.gz DRWNYFVYKRMYAL-UHFFFAOYSA-N 0 3 313.401 2.426 20 10 DECDHN C[C@]1(CO)C[N@H+](Cc2cc3ccccc3cc2[O-])CC[C@@H]1O ZINC001236825641 1138440633 /nfs/dbraw/zinc/44/06/33/1138440633.db2.gz AMXXCHVGWBTLTM-ZWKOTPCHSA-N 0 3 301.386 2.111 20 10 DECDHN C[C@]1(CO)C[N@@H+](Cc2cc3ccccc3cc2[O-])CC[C@@H]1O ZINC001236825641 1138440635 /nfs/dbraw/zinc/44/06/35/1138440635.db2.gz AMXXCHVGWBTLTM-ZWKOTPCHSA-N 0 3 301.386 2.111 20 10 DECDHN CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3cnccn3)C2)c([O-])c1 ZINC001237048824 1138490036 /nfs/dbraw/zinc/49/00/36/1138490036.db2.gz WWMNAGKVAGLKMX-OAHLLOKOSA-N 0 3 315.373 2.234 20 10 DECDHN CCOc1ccc(C[N@H+]2CC[C@@H](Oc3cnccn3)C2)c([O-])c1 ZINC001237048824 1138490040 /nfs/dbraw/zinc/49/00/40/1138490040.db2.gz WWMNAGKVAGLKMX-OAHLLOKOSA-N 0 3 315.373 2.234 20 10 DECDHN Oc1cccc(OC(F)(F)F)c1CN1CCN2CC[C@@H]2C1 ZINC001237124522 1138508917 /nfs/dbraw/zinc/50/89/17/1138508917.db2.gz CETLOIRLYYJRKO-SNVBAGLBSA-N 0 3 302.296 2.181 20 10 DECDHN COC(=O)[C@@H]1CCCN(Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237683735 1138756576 /nfs/dbraw/zinc/75/65/76/1138756576.db2.gz JTPYEOWTLLTUNC-GFCCVEGCSA-N 0 3 323.389 2.185 20 10 DECDHN C[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1cn[nH]c1 ZINC001319732814 1140698094 /nfs/dbraw/zinc/69/80/94/1140698094.db2.gz KGVUOLBVCXPCIT-ZDUSSCGKSA-N 0 3 317.412 2.151 20 10 DECDHN CCOc1ccc(C[NH2+]C[C@H](CO)CC2CCOCC2)c([O-])c1 ZINC001322130260 1141402371 /nfs/dbraw/zinc/40/23/71/1141402371.db2.gz RFVJYSCNUAURQR-OAHLLOKOSA-N 0 3 323.433 2.306 20 10 DECDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](CO)CC1CCOCC1)CC2 ZINC001324600444 1142139491 /nfs/dbraw/zinc/13/94/91/1142139491.db2.gz BXCPIJKXNNVCKA-HOCLYGCPSA-N 0 3 305.418 2.394 20 10 DECDHN CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC001339909504 1143172340 /nfs/dbraw/zinc/17/23/40/1143172340.db2.gz ZAPILOSIXNMHBK-LBPRGKRZSA-N 0 3 309.385 2.061 20 10 DECDHN CC(C)[N@H+]1CC[C@@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC001339909504 1143172346 /nfs/dbraw/zinc/17/23/46/1143172346.db2.gz ZAPILOSIXNMHBK-LBPRGKRZSA-N 0 3 309.385 2.061 20 10 DECDHN O=C1OCCN1[C@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001261673452 1144265236 /nfs/dbraw/zinc/26/52/36/1144265236.db2.gz UXGJBLOZXMMXNT-KRWDZBQOSA-N 0 3 315.417 2.313 20 10 DECDHN COc1cccc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000092704319 185334078 /nfs/dbraw/zinc/33/40/78/185334078.db2.gz WOMQPGSYZAIHNQ-CYBMUJFWSA-N 0 3 322.405 2.500 20 10 DECDHN CN(CCN1CCOCC1)Cc1ccc(N2CCCCC2)cc1 ZINC000072981010 191263880 /nfs/dbraw/zinc/26/38/80/191263880.db2.gz AYMDZQACNAZCDA-UHFFFAOYSA-N 0 3 317.477 2.441 20 10 DECDHN Cc1ccc([C@@H](C)[NH2+]CCCN2CCN(C)CC2)c([O-])c1C ZINC000273424066 130119444 /nfs/dbraw/zinc/11/94/44/130119444.db2.gz SRNJWDXPSYOXTH-MRXNPFEDSA-N 0 3 305.466 2.297 20 10 DECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@]2(N(C)C)CCSC2)c1 ZINC000273598758 130142178 /nfs/dbraw/zinc/14/21/78/130142178.db2.gz ROVAIKPSJGADPG-BLLLJJGKSA-N 0 3 310.463 2.489 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]C[C@](C)(O)C(F)(F)F)c1[O-] ZINC000273783439 130166908 /nfs/dbraw/zinc/16/69/08/130166908.db2.gz TWGUXCPXQMCCEK-NSHDSACASA-N 0 3 313.703 2.457 20 10 DECDHN CCN(CCO)CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000274436028 130234220 /nfs/dbraw/zinc/23/42/20/130234220.db2.gz TURAQCXOSYLVHU-UHFFFAOYSA-N 0 3 314.429 2.463 20 10 DECDHN C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc(O)c1[O-] ZINC000274894909 130272158 /nfs/dbraw/zinc/27/21/58/130272158.db2.gz NCZWPCNXQJLGOJ-CYBMUJFWSA-N 0 3 306.406 2.482 20 10 DECDHN C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cccc(O)c1[O-] ZINC000274894909 130272159 /nfs/dbraw/zinc/27/21/59/130272159.db2.gz NCZWPCNXQJLGOJ-CYBMUJFWSA-N 0 3 306.406 2.482 20 10 DECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000275122632 130293699 /nfs/dbraw/zinc/29/36/99/130293699.db2.gz HWUDQBWRYRUKLX-LLVKDONJSA-N 0 3 316.323 2.201 20 10 DECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000275122632 130293704 /nfs/dbraw/zinc/29/37/04/130293704.db2.gz HWUDQBWRYRUKLX-LLVKDONJSA-N 0 3 316.323 2.201 20 10 DECDHN O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000275131189 130293988 /nfs/dbraw/zinc/29/39/88/130293988.db2.gz KNUAUQDBTNUOTN-VIFPVBQESA-N 0 3 320.286 2.032 20 10 DECDHN O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000275131189 130293991 /nfs/dbraw/zinc/29/39/91/130293991.db2.gz KNUAUQDBTNUOTN-VIFPVBQESA-N 0 3 320.286 2.032 20 10 DECDHN CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cccc(OC)c1[O-] ZINC000285271635 131153476 /nfs/dbraw/zinc/15/34/76/131153476.db2.gz UMJUNTXECLUBEJ-AWEZNQCLSA-N 0 3 306.406 2.282 20 10 DECDHN CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1cccc(OC)c1[O-] ZINC000285271635 131153477 /nfs/dbraw/zinc/15/34/77/131153477.db2.gz UMJUNTXECLUBEJ-AWEZNQCLSA-N 0 3 306.406 2.282 20 10 DECDHN C[C@@H]1C[C@H](N2CCOCC2)CN1Cc1ccc(N(C)C)cc1 ZINC000285835503 131204197 /nfs/dbraw/zinc/20/41/97/131204197.db2.gz HKNPTSSTSWYCBH-QAPCUYQASA-N 0 3 303.450 2.048 20 10 DECDHN CCOc1cccc(CN[C@@H]2COc3ccccc3[C@@H]2O)c1O ZINC000288427560 131325189 /nfs/dbraw/zinc/32/51/89/131325189.db2.gz BMRIVGQDBPDPHO-KDOFPFPSSA-N 0 3 315.369 2.375 20 10 DECDHN CCOc1cccc(C[NH2+][C@@H]2COc3ccccc3[C@@H]2O)c1[O-] ZINC000288427560 131325190 /nfs/dbraw/zinc/32/51/90/131325190.db2.gz BMRIVGQDBPDPHO-KDOFPFPSSA-N 0 3 315.369 2.375 20 10 DECDHN CN(C)c1ccc(CNC(=O)C23CCCN2CCC3)cc1F ZINC000290220698 131465705 /nfs/dbraw/zinc/46/57/05/131465705.db2.gz QSKYQDGETGTYIH-UHFFFAOYSA-N 0 3 305.397 2.136 20 10 DECDHN CC1CCN(CCNC(=O)N(C)Cc2ccccc2O)CC1 ZINC000071932977 401698843 /nfs/dbraw/zinc/69/88/43/401698843.db2.gz ZTKZEKKYOKSSOU-UHFFFAOYSA-N 0 3 305.422 2.266 20 10 DECDHN C[C@@H]1C[C@H](NC(=O)NCc2ccc(N(C)C)cc2)CN1C1CC1 ZINC000119854032 401968577 /nfs/dbraw/zinc/96/85/77/401968577.db2.gz MRSFDAGJGJQZAR-HIFRSBDPSA-N 0 3 316.449 2.177 20 10 DECDHN [O-]c1cc2c(cc1C[NH+]1CCC(n3ccnc3)CC1)OCO2 ZINC000152097006 402075179 /nfs/dbraw/zinc/07/51/79/402075179.db2.gz AIASKNUCPUPAJV-UHFFFAOYSA-N 0 3 301.346 2.155 20 10 DECDHN Oc1cc2c(cc1CN1CCC(n3ccnc3)CC1)OCO2 ZINC000152097006 402075181 /nfs/dbraw/zinc/07/51/81/402075181.db2.gz AIASKNUCPUPAJV-UHFFFAOYSA-N 0 3 301.346 2.155 20 10 DECDHN [O-]c1ccccc1C[N@H+](CCC1OCCO1)C[C@H]1CCCO1 ZINC000124943953 402204699 /nfs/dbraw/zinc/20/46/99/402204699.db2.gz CLVUUYAKXVTPEG-OAHLLOKOSA-N 0 3 307.390 2.136 20 10 DECDHN [O-]c1ccccc1C[N@@H+](CCC1OCCO1)C[C@H]1CCCO1 ZINC000124943953 402204702 /nfs/dbraw/zinc/20/47/02/402204702.db2.gz CLVUUYAKXVTPEG-OAHLLOKOSA-N 0 3 307.390 2.136 20 10 DECDHN COC(=O)[C@]1(C)CC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000184700693 402293031 /nfs/dbraw/zinc/29/30/31/402293031.db2.gz CCRCRLGNKHLFMK-OAHLLOKOSA-N 0 3 313.781 2.439 20 10 DECDHN COC(=O)[C@]1(C)CC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000184700693 402293034 /nfs/dbraw/zinc/29/30/34/402293034.db2.gz CCRCRLGNKHLFMK-OAHLLOKOSA-N 0 3 313.781 2.439 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)CN2CCCC2=O)c1[O-] ZINC000228671563 402339169 /nfs/dbraw/zinc/33/91/69/402339169.db2.gz IOSJSGLULPXVRC-JTQLQIEISA-N 0 3 312.797 2.155 20 10 DECDHN CC1CC[NH+](CCCCNC(=O)c2cccc(O)c2[O-])CC1 ZINC000186945344 402472656 /nfs/dbraw/zinc/47/26/56/402472656.db2.gz QEWWYWXWYWTTHF-UHFFFAOYSA-N 0 3 306.406 2.340 20 10 DECDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(N)cc1 ZINC000165640633 402477321 /nfs/dbraw/zinc/47/73/21/402477321.db2.gz PWYLLYBYTJSOPS-GOSISDBHSA-N 0 3 311.429 2.100 20 10 DECDHN CN(C)c1ccc(CN(C)C(=O)CN(C)CCC2CC2)cc1 ZINC000179246683 402582601 /nfs/dbraw/zinc/58/26/01/402582601.db2.gz RVLRMTHFFOVLIX-UHFFFAOYSA-N 0 3 303.450 2.443 20 10 DECDHN Cc1ccc(C(=O)NC[C@@H](c2ccccc2)N(C)C)c(O)c1O ZINC000179387310 402587894 /nfs/dbraw/zinc/58/78/94/402587894.db2.gz PFVHYZJRKNSMHR-HNNXBMFYSA-N 0 3 314.385 2.439 20 10 DECDHN CC[NH+]1CCC(CCNC(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000179518627 402593801 /nfs/dbraw/zinc/59/38/01/402593801.db2.gz JVXWJYBNPDCVQD-UHFFFAOYSA-N 0 3 306.406 2.258 20 10 DECDHN COc1ccc(O)c(CN2CCC(c3nc(C)no3)CC2)c1 ZINC000179756187 402599735 /nfs/dbraw/zinc/59/97/35/402599735.db2.gz PHHIDIQVOSLKBL-UHFFFAOYSA-N 0 3 303.362 2.472 20 10 DECDHN COc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000183594829 402779996 /nfs/dbraw/zinc/77/99/96/402779996.db2.gz BEDFQLAUMZUITE-ZDUSSCGKSA-N 0 3 314.385 2.481 20 10 DECDHN Cn1nccc1N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000278825406 402875813 /nfs/dbraw/zinc/87/58/13/402875813.db2.gz ZXPGXCMYKYALRJ-CQSZACIVSA-N 0 3 304.369 2.023 20 10 DECDHN Cc1cc(Br)cc(CN2CCC[C@H]2CO)c1O ZINC000271718562 402883035 /nfs/dbraw/zinc/88/30/35/402883035.db2.gz JHRSAXVJNXVUPK-LBPRGKRZSA-N 0 3 300.196 2.420 20 10 DECDHN CCCOc1ccc(C[N@H+](C)[C@@H](C)CN2CCOCC2)c([O-])c1 ZINC000278987285 402893627 /nfs/dbraw/zinc/89/36/27/402893627.db2.gz ACVJISHMHJHRBK-HNNXBMFYSA-N 0 3 322.449 2.334 20 10 DECDHN CCCOc1ccc(C[N@@H+](C)[C@@H](C)CN2CCOCC2)c([O-])c1 ZINC000278987285 402893630 /nfs/dbraw/zinc/89/36/30/402893630.db2.gz ACVJISHMHJHRBK-HNNXBMFYSA-N 0 3 322.449 2.334 20 10 DECDHN O=C(CNCc1ccc(N2CCCCC2)cc1)NCC(F)F ZINC000280201612 402974687 /nfs/dbraw/zinc/97/46/87/402974687.db2.gz DVTKYJMYTIALCM-UHFFFAOYSA-N 0 3 311.376 2.148 20 10 DECDHN COC[C@@H](CO)N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000280946046 403052649 /nfs/dbraw/zinc/05/26/49/403052649.db2.gz JFAZWZQNQMHKPB-DZGCQCFKSA-N 0 3 310.413 2.474 20 10 DECDHN COc1ccc([O-])c(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c1 ZINC000282989301 403164902 /nfs/dbraw/zinc/16/49/02/403164902.db2.gz JWESEYCFBQSZIL-GUYCJALGSA-N 0 3 321.417 2.058 20 10 DECDHN CCNC(=O)C1(C[NH2+]Cc2cccc(OCC)c2[O-])CCC1 ZINC000276761828 403193026 /nfs/dbraw/zinc/19/30/26/403193026.db2.gz AHTHDYFYLZJFIZ-UHFFFAOYSA-N 0 3 306.406 2.187 20 10 DECDHN COC(=O)CC[N@H+](Cc1cc(OC)c(OC)cc1[O-])C(C)C ZINC000271106449 403265021 /nfs/dbraw/zinc/26/50/21/403265021.db2.gz RZJZUCJZZSSLKD-UHFFFAOYSA-N 0 3 311.378 2.183 20 10 DECDHN COC(=O)CC[N@@H+](Cc1cc(OC)c(OC)cc1[O-])C(C)C ZINC000271106449 403265022 /nfs/dbraw/zinc/26/50/22/403265022.db2.gz RZJZUCJZZSSLKD-UHFFFAOYSA-N 0 3 311.378 2.183 20 10 DECDHN Cc1ccc(C(=O)NCCCCC[NH+]2CCCC2)c([O-])c1O ZINC000294025881 403627793 /nfs/dbraw/zinc/62/77/93/403627793.db2.gz WEBLIHHOAVPVQM-UHFFFAOYSA-N 0 3 306.406 2.402 20 10 DECDHN COC[C@H](CO)NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000296133521 404107837 /nfs/dbraw/zinc/10/78/37/404107837.db2.gz UQAYXEMXDYGOFF-HNNXBMFYSA-N 0 3 320.458 2.481 20 10 DECDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000290334157 404128900 /nfs/dbraw/zinc/12/89/00/404128900.db2.gz DYORSNYOYAUZET-CQSZACIVSA-N 0 3 318.417 2.235 20 10 DECDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000290334157 404128905 /nfs/dbraw/zinc/12/89/05/404128905.db2.gz DYORSNYOYAUZET-CQSZACIVSA-N 0 3 318.417 2.235 20 10 DECDHN Cc1cc(Br)cc(CN2C[C@H]3[C@H](CO)[C@H]3C2)c1O ZINC000368351264 227009600 /nfs/dbraw/zinc/00/96/00/227009600.db2.gz CVIVBDXFZKUPGX-ITGUQSILSA-N 0 3 312.207 2.133 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CC[C@]3(C2)CCCOC3)cc1OC ZINC000368497061 227011669 /nfs/dbraw/zinc/01/16/69/227011669.db2.gz VAUJJVTURKOQSJ-KRWDZBQOSA-N 0 3 307.390 2.412 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CC[C@]3(C2)CCCOC3)cc1OC ZINC000368497061 227011672 /nfs/dbraw/zinc/01/16/72/227011672.db2.gz VAUJJVTURKOQSJ-KRWDZBQOSA-N 0 3 307.390 2.412 20 10 DECDHN CN(C)c1ccc(/C=C/CN2CCN(CCCCO)CC2)cc1 ZINC000835027189 649868532 /nfs/dbraw/zinc/86/85/32/649868532.db2.gz DAVAYAIYSAQOES-AATRIKPKSA-N 0 3 317.477 2.156 20 10 DECDHN CN(C)c1ccc(/C=C\CN2CCN(CC(C)(C)O)CC2)cc1 ZINC000835027541 649868715 /nfs/dbraw/zinc/86/87/15/649868715.db2.gz MWOCFFOUZMLISB-WAYWQWQTSA-N 0 3 317.477 2.154 20 10 DECDHN CCOc1ccc([O-])c(C[NH2+][C@H](CO)Cc2ccccc2)c1 ZINC000131515241 521155214 /nfs/dbraw/zinc/15/52/14/521155214.db2.gz GFXOAFPJIJPWSC-INIZCTEOSA-N 0 3 301.386 2.484 20 10 DECDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2cccc(OCC(N)=O)c2)c1 ZINC000185577929 525365222 /nfs/dbraw/zinc/36/52/22/525365222.db2.gz VEVSGCANNUCLBE-ZDUSSCGKSA-N 0 3 314.385 2.416 20 10 DECDHN COCCn1cc(CNC/C=C\c2ccc(N(C)C)cc2)cn1 ZINC000835049080 649872036 /nfs/dbraw/zinc/87/20/36/649872036.db2.gz FHKUJEFIXUPIBK-PLNGDYQASA-N 0 3 314.433 2.399 20 10 DECDHN C[C@H](NC/C=C\c1ccc(N(C)C)cc1)C1(S(C)(=O)=O)CC1 ZINC000835052493 649872484 /nfs/dbraw/zinc/87/24/84/649872484.db2.gz DOFOWQJFWRHJIF-GXMNPTEKSA-N 0 3 322.474 2.321 20 10 DECDHN CC(C)OC[C@@H](CO)N(C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835054832 649873003 /nfs/dbraw/zinc/87/30/03/649873003.db2.gz ZKAVQDVUWHYADZ-HPFMTEOYSA-N 0 3 306.450 2.484 20 10 DECDHN CCOc1ccc(O)c(CN[C@@H]2C[C@@H]3CCCCN3C2=O)c1 ZINC000835074703 649875712 /nfs/dbraw/zinc/87/57/12/649875712.db2.gz TVHQTVSKFXFARZ-DZGCQCFKSA-N 0 3 304.390 2.034 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)C2CC=CC2)N(C)C)cc1 ZINC000891250487 623795621 /nfs/dbraw/zinc/79/56/21/623795621.db2.gz AGYLFRDOWJHVMJ-QGZVFWFLSA-N 0 3 301.434 2.438 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCS2)N(C)C)cc1 ZINC000891253084 623798306 /nfs/dbraw/zinc/79/83/06/623798306.db2.gz QKBSIFJPNLZMNE-CVEARBPZSA-N 0 3 321.490 2.367 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)c2cc[nH]c2)N(C)C)cc1 ZINC000891252433 623798707 /nfs/dbraw/zinc/79/87/07/623798707.db2.gz LIOLJPQBVRHWFK-MRXNPFEDSA-N 0 3 300.406 2.113 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)C2=CCCCO2)N(C)C)cc1 ZINC000891252388 623799603 /nfs/dbraw/zinc/79/96/03/623799603.db2.gz KINVBQCZCVQLBG-INIZCTEOSA-N 0 3 317.433 2.166 20 10 DECDHN C[C@@H]1C[C@H]1CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000892060377 624767061 /nfs/dbraw/zinc/76/70/61/624767061.db2.gz JMTPMDZXRYWZGE-KMFMINBZSA-N 0 3 318.465 2.311 20 10 DECDHN Cc1ccc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c([O-])c1O ZINC000177675755 625055801 /nfs/dbraw/zinc/05/58/01/625055801.db2.gz OJLSIFWDTLRUPL-AAEUAGOBSA-N 0 3 306.406 2.256 20 10 DECDHN Cc1ccc(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c([O-])c1O ZINC000177675755 625055803 /nfs/dbraw/zinc/05/58/03/625055803.db2.gz OJLSIFWDTLRUPL-AAEUAGOBSA-N 0 3 306.406 2.256 20 10 DECDHN COc1ccc(CN[C@@H](C)c2cn(C)nc2C)c(O)c1OC ZINC000892936549 625734444 /nfs/dbraw/zinc/73/44/44/625734444.db2.gz PQEIGAIRCKGIPL-JTQLQIEISA-N 0 3 305.378 2.302 20 10 DECDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cc(N)ccn2)c1 ZINC000925767862 634842297 /nfs/dbraw/zinc/84/22/97/634842297.db2.gz QROFQDYWWSFNEG-JTQLQIEISA-N 0 3 301.346 2.007 20 10 DECDHN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H](NCCF)C2)cc1 ZINC001001033442 635392530 /nfs/dbraw/zinc/39/25/30/635392530.db2.gz XOTDYKFDANQPFK-ZDUSSCGKSA-N 0 3 321.356 2.013 20 10 DECDHN COc1ccc(N2CCCN(Cc3ccc(CO)o3)CC2)cc1 ZINC000092380749 636189923 /nfs/dbraw/zinc/18/99/23/636189923.db2.gz MOLKCAUTCZZQTP-UHFFFAOYSA-N 0 3 316.401 2.493 20 10 DECDHN CC[C@H](CNCc1cc(F)c(N(C)C)cc1F)C(=O)OC ZINC000895140609 637656454 /nfs/dbraw/zinc/65/64/54/637656454.db2.gz UZXZGBKAPXJPJS-SNVBAGLBSA-N 0 3 300.349 2.320 20 10 DECDHN C[C@@H]([NH2+]CC(C)(C)[C@@H]1COCC12OCCO2)c1ccccc1[O-] ZINC000840795871 650359056 /nfs/dbraw/zinc/35/90/56/650359056.db2.gz CAFVYXVOWOHIAR-CJNGLKHVSA-N 0 3 321.417 2.459 20 10 DECDHN CC[C@H](NC1(C(=O)NCCOC)CC1)c1ccc(N(C)C)cc1 ZINC000840822705 650362775 /nfs/dbraw/zinc/36/27/75/650362775.db2.gz PIMRNTVSAQMSEE-INIZCTEOSA-N 0 3 319.449 2.089 20 10 DECDHN Cc1cc(N(C)C)ccc1CN[C@H]1C[C@@H]2CCCCN2C1=O ZINC000840953331 650394301 /nfs/dbraw/zinc/39/43/01/650394301.db2.gz QCZLKOMKADUFER-IRXDYDNUSA-N 0 3 301.434 2.304 20 10 DECDHN COCCN(CC[NH+](C)C)Cc1c([O-])cc(C)cc1Cl ZINC000840949461 650393448 /nfs/dbraw/zinc/39/34/48/650393448.db2.gz XZUSNGBMLWZDKR-UHFFFAOYSA-N 0 3 300.830 2.364 20 10 DECDHN COc1c([O-])c(C[NH2+][C@@H](CN)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000841039116 650411602 /nfs/dbraw/zinc/41/16/02/650411602.db2.gz AXQRIBQYUTWLPA-ZDUSSCGKSA-N 0 3 323.393 2.306 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)NCC(C)(C)F)N(C)C)cc1 ZINC000896078550 638347124 /nfs/dbraw/zinc/34/71/24/638347124.db2.gz NUFLEUASDBXIAK-OAHLLOKOSA-N 0 3 324.444 2.403 20 10 DECDHN C[C@@]1([C@@H]2CCC[N@H+](Cc3cc(F)ccc3[O-])C2)COC(=O)N1 ZINC000896394546 638500940 /nfs/dbraw/zinc/50/09/40/638500940.db2.gz FKTARYKJSGSKOJ-WBMJQRKESA-N 0 3 308.353 2.242 20 10 DECDHN C[C@@]1([C@@H]2CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)COC(=O)N1 ZINC000896394546 638500943 /nfs/dbraw/zinc/50/09/43/638500943.db2.gz FKTARYKJSGSKOJ-WBMJQRKESA-N 0 3 308.353 2.242 20 10 DECDHN Cc1ccc(C[NH2+]CCc2ccccc2S(C)(=O)=O)c([O-])c1 ZINC000896811447 638690185 /nfs/dbraw/zinc/69/01/85/638690185.db2.gz JOXKCLARKYJJTL-UHFFFAOYSA-N 0 3 319.426 2.436 20 10 DECDHN C[C@H](CN1CCOCC1)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756413102 639659808 /nfs/dbraw/zinc/65/98/08/639659808.db2.gz BQKPJHXICIQWHI-SCRDCRAPSA-N 0 3 308.397 2.390 20 10 DECDHN C[C@@H]1C[C@H]([NH2+]CCN2CCO[C@H](C)C2)c2c1c(F)ccc2[O-] ZINC000756547343 639672430 /nfs/dbraw/zinc/67/24/30/639672430.db2.gz ZXKCZTBUOMFDOJ-BZPMIXESSA-N 0 3 308.397 2.390 20 10 DECDHN CCNC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)C1 ZINC000756761934 639692741 /nfs/dbraw/zinc/69/27/41/639692741.db2.gz VJYDLHHCCKERIW-GMXVVIOVSA-N 0 3 321.396 2.473 20 10 DECDHN CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000761223893 640287623 /nfs/dbraw/zinc/28/76/23/640287623.db2.gz UHKUAPMUWRXVJD-GXTWGEPZSA-N 0 3 315.797 2.338 20 10 DECDHN Nc1ccc(CCNC(=O)NC[C@H]2CCCCN2C2CC2)cc1 ZINC000841886046 650593532 /nfs/dbraw/zinc/59/35/32/650593532.db2.gz JZTSBJLJRCTOQX-QGZVFWFLSA-N 0 3 316.449 2.127 20 10 DECDHN CC[N@H+](CCC(=O)NC)Cc1cc(Cl)cc(OC)c1[O-] ZINC000897709938 640908127 /nfs/dbraw/zinc/90/81/27/640908127.db2.gz MAIGLDUOIPJHDG-UHFFFAOYSA-N 0 3 300.786 2.012 20 10 DECDHN CC[N@@H+](CCC(=O)NC)Cc1cc(Cl)cc(OC)c1[O-] ZINC000897709938 640908128 /nfs/dbraw/zinc/90/81/28/640908128.db2.gz MAIGLDUOIPJHDG-UHFFFAOYSA-N 0 3 300.786 2.012 20 10 DECDHN COc1cc(Cl)cc(CNCc2cnc3n2CCOC3)c1O ZINC000898268134 641076959 /nfs/dbraw/zinc/07/69/59/641076959.db2.gz WAEAYGDPEVNJHB-UHFFFAOYSA-N 0 3 323.780 2.071 20 10 DECDHN [O-]c1cc2c(cc1C[NH+]1CCC(OCC3CC3)CC1)[C@H](O)CO2 ZINC000768464778 641084542 /nfs/dbraw/zinc/08/45/42/641084542.db2.gz ACKMRTBSYJZUKW-QGZVFWFLSA-N 0 3 319.401 2.209 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c([O-])c1 ZINC000770282012 641353908 /nfs/dbraw/zinc/35/39/08/641353908.db2.gz PQNMXPKRSCJUEA-GOEBONIOSA-N 0 3 309.431 2.497 20 10 DECDHN CCOc1ccc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c([O-])c1 ZINC000770282012 641353912 /nfs/dbraw/zinc/35/39/12/641353912.db2.gz PQNMXPKRSCJUEA-GOEBONIOSA-N 0 3 309.431 2.497 20 10 DECDHN CCCN(C)CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000730105255 641472907 /nfs/dbraw/zinc/47/29/07/641472907.db2.gz FDCALSJNZKSCHF-UHFFFAOYSA-N 0 3 321.490 2.198 20 10 DECDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccnn2C)c2c1c(F)ccc2[O-] ZINC000927137260 641708805 /nfs/dbraw/zinc/70/88/05/641708805.db2.gz VELPFTBTXTYOKN-GLXFQSAKSA-N 0 3 305.353 2.136 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CC23CC3)N(C)C)cc1 ZINC000899097680 641930854 /nfs/dbraw/zinc/93/08/54/641930854.db2.gz DYTYQTCOTLMLNP-JKSUJKDBSA-N 0 3 316.449 2.207 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=S)NC2CCC2)N(C)C)cc1 ZINC000899724009 642149999 /nfs/dbraw/zinc/14/99/99/642149999.db2.gz ISJOEUDEMLRNMW-INIZCTEOSA-N 0 3 320.506 2.372 20 10 DECDHN CC(C)(C)c1cc(O)c(O)c(CN2CC[C@H](n3cncn3)C2)c1 ZINC000776774974 642207119 /nfs/dbraw/zinc/20/71/19/642207119.db2.gz NNSRSRLPIJZWTK-AWEZNQCLSA-N 0 3 316.405 2.434 20 10 DECDHN COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000776869742 642214094 /nfs/dbraw/zinc/21/40/94/642214094.db2.gz ZGDKEXDHAMVPKD-UKPHBRMFSA-N 0 3 309.406 2.172 20 10 DECDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)CC(N)=O)c1[O-] ZINC000779030866 642456976 /nfs/dbraw/zinc/45/69/76/642456976.db2.gz XTWZFINIFKZDSD-RKDXNWHRSA-N 0 3 315.211 2.378 20 10 DECDHN Oc1cc2c(cc1CN1CCC[C@@H](OC(F)F)C1)[C@H](O)CO2 ZINC000781150519 642720114 /nfs/dbraw/zinc/72/01/14/642720114.db2.gz DWFMSEJKTDMQDL-ZWNOBZJWSA-N 0 3 315.316 2.022 20 10 DECDHN C[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)CCN1CC(C)(C)O ZINC000783722834 643042065 /nfs/dbraw/zinc/04/20/65/643042065.db2.gz IZSSOVFKQVTRHP-AWEZNQCLSA-N 0 3 323.456 2.169 20 10 DECDHN C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccn(C)n1 ZINC000903447765 643355007 /nfs/dbraw/zinc/35/50/07/643355007.db2.gz CEPGSHBEVLMOSE-RDTXWAMCSA-N 0 3 315.465 2.440 20 10 DECDHN CN(C)c1ccc([C@H](CN[C@@H]2CCn3ccnc32)N(C)C)cc1 ZINC000903449149 643356012 /nfs/dbraw/zinc/35/60/12/643356012.db2.gz VSJAYPNXHOZCNR-SJORKVTESA-N 0 3 313.449 2.286 20 10 DECDHN C[C@H]1C[C@@H]([NH2+]CCC2CS(=O)(=O)C2)c2c1c(F)ccc2[O-] ZINC000786943880 643431353 /nfs/dbraw/zinc/43/13/53/643431353.db2.gz BEKSXBDDBSPYBU-JOYOIKCWSA-N 0 3 313.394 2.104 20 10 DECDHN COc1cccc([O-])c1C[NH2+]C[C@H](C)NC(=O)OC(C)(C)C ZINC000793215714 644209797 /nfs/dbraw/zinc/20/97/97/644209797.db2.gz MNSGRFWPKUSFIO-NSHDSACASA-N 0 3 310.394 2.404 20 10 DECDHN CCN(CC)c1ccc(CN2CCN(C[C@H](C)O)C[C@@H]2C)cc1 ZINC000793591023 644276973 /nfs/dbraw/zinc/27/69/73/644276973.db2.gz QKJRSBKOOFZQJA-IRXDYDNUSA-N 0 3 319.493 2.420 20 10 DECDHN CCOc1ccc(C[NH2+]CC2CCN(C(=O)OC)CC2)c([O-])c1 ZINC000796509548 644748245 /nfs/dbraw/zinc/74/82/45/644748245.db2.gz HYQIPDJGHZXCNK-UHFFFAOYSA-N 0 3 322.405 2.359 20 10 DECDHN Fc1cc(CN2CCC3(CCO3)CC2)ccc1N1CCOCC1 ZINC000800538295 645286189 /nfs/dbraw/zinc/28/61/89/645286189.db2.gz VSZWTTPWTRBXFG-UHFFFAOYSA-N 0 3 320.408 2.417 20 10 DECDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CN(C)C(C)C ZINC000839917781 645296352 /nfs/dbraw/zinc/29/63/52/645296352.db2.gz IANQGLQGHZXFFF-OAHLLOKOSA-N 0 3 305.466 2.448 20 10 DECDHN CNC(=O)[C@H](CCSC)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000806662544 645859374 /nfs/dbraw/zinc/85/93/74/645859374.db2.gz DIAHYFUGYRUFFQ-WFASDCNBSA-N 0 3 309.479 2.271 20 10 DECDHN CC(C)[C@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCCO1 ZINC000840098922 645961069 /nfs/dbraw/zinc/96/10/69/645961069.db2.gz XSRRIZRIYSCXRY-NVXWUHKLSA-N 0 3 307.390 2.065 20 10 DECDHN CC(C)[C@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCCO1 ZINC000840098922 645961073 /nfs/dbraw/zinc/96/10/73/645961073.db2.gz XSRRIZRIYSCXRY-NVXWUHKLSA-N 0 3 307.390 2.065 20 10 DECDHN CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cc(C)ccc3[O-])[C@H]2C1 ZINC000808445804 646086158 /nfs/dbraw/zinc/08/61/58/646086158.db2.gz ZXWCKXDRMJMCTI-BHYGNILZSA-N 0 3 302.418 2.437 20 10 DECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](O)c2cnn(C)c2)c1[O-] ZINC000808699346 646130263 /nfs/dbraw/zinc/13/02/63/646130263.db2.gz WYNNOPQSLCKLSP-YGRLFVJLSA-N 0 3 309.797 2.472 20 10 DECDHN CC(C)S(=O)(=O)CC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000808725787 646133060 /nfs/dbraw/zinc/13/30/60/646133060.db2.gz FEJJWOWRXLVOJR-CMPLNLGQSA-N 0 3 315.410 2.492 20 10 DECDHN COc1cccc(O)c1CN1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000809697821 646265671 /nfs/dbraw/zinc/26/56/71/646265671.db2.gz PBAVMUWQNBVHLI-JQWIXIFHSA-N 0 3 319.323 2.394 20 10 DECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000809697821 646265674 /nfs/dbraw/zinc/26/56/74/646265674.db2.gz PBAVMUWQNBVHLI-JQWIXIFHSA-N 0 3 319.323 2.394 20 10 DECDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000809697821 646265676 /nfs/dbraw/zinc/26/56/76/646265676.db2.gz PBAVMUWQNBVHLI-JQWIXIFHSA-N 0 3 319.323 2.394 20 10 DECDHN CC[C@@H]([NH2+]C[C@H](O)CN(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810216213 646340293 /nfs/dbraw/zinc/34/02/93/646340293.db2.gz FUHSPPDKVNRHJM-WCQYABFASA-N 0 3 320.355 2.374 20 10 DECDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COC[C@@H]1CCCO1 ZINC000174373098 646806070 /nfs/dbraw/zinc/80/60/70/646806070.db2.gz YXGUTPWVJSWCEU-IRXDYDNUSA-N 0 3 323.433 2.161 20 10 DECDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)COC[C@@H]1CCCO1 ZINC000174373098 646806073 /nfs/dbraw/zinc/80/60/73/646806073.db2.gz YXGUTPWVJSWCEU-IRXDYDNUSA-N 0 3 323.433 2.161 20 10 DECDHN C[N@@H+]1C[C@H]2CCN(Cc3cc(Br)ccc3[O-])[C@H]2C1 ZINC000814173669 646857503 /nfs/dbraw/zinc/85/75/03/646857503.db2.gz NXRAVEANTIESRT-MFKMUULPSA-N 0 3 311.223 2.291 20 10 DECDHN C[N@H+]1C[C@H]2CCN(Cc3cc(Br)ccc3[O-])[C@H]2C1 ZINC000814173669 646857506 /nfs/dbraw/zinc/85/75/06/646857506.db2.gz NXRAVEANTIESRT-MFKMUULPSA-N 0 3 311.223 2.291 20 10 DECDHN C[C@@H](CNC(=O)NCc1c([O-])cccc1F)C[NH+]1CCCC1 ZINC000914242992 647233370 /nfs/dbraw/zinc/23/33/70/647233370.db2.gz AWAXWQKHQLSMMQ-LBPRGKRZSA-N 0 3 309.385 2.062 20 10 DECDHN C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1c([O-])cccc1F ZINC000914340600 647269226 /nfs/dbraw/zinc/26/92/26/647269226.db2.gz FPWXBVRKIKJCBY-OLZOCXBDSA-N 0 3 323.412 2.451 20 10 DECDHN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCc1c([O-])cccc1F ZINC000914340600 647269227 /nfs/dbraw/zinc/26/92/27/647269227.db2.gz FPWXBVRKIKJCBY-OLZOCXBDSA-N 0 3 323.412 2.451 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c([O-])c1 ZINC000822504781 648221332 /nfs/dbraw/zinc/22/13/32/648221332.db2.gz ZSBLZGGYNJETCL-CQSZACIVSA-N 0 3 302.378 2.220 20 10 DECDHN CCOc1ccc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)c([O-])c1 ZINC000822504781 648221333 /nfs/dbraw/zinc/22/13/33/648221333.db2.gz ZSBLZGGYNJETCL-CQSZACIVSA-N 0 3 302.378 2.220 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c([O-])c1 ZINC000822504778 648221340 /nfs/dbraw/zinc/22/13/40/648221340.db2.gz ZSBLZGGYNJETCL-AWEZNQCLSA-N 0 3 302.378 2.220 20 10 DECDHN CCOc1ccc(C[N@H+]2CCC[C@H](n3ccnn3)C2)c([O-])c1 ZINC000822504778 648221341 /nfs/dbraw/zinc/22/13/41/648221341.db2.gz ZSBLZGGYNJETCL-AWEZNQCLSA-N 0 3 302.378 2.220 20 10 DECDHN CCN(CC)CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000920454507 648227744 /nfs/dbraw/zinc/22/77/44/648227744.db2.gz UWYJYMFIYWHPOK-UHFFFAOYSA-N 0 3 321.490 2.198 20 10 DECDHN COc1ccc(O)c([C@@H](C)N[C@@H]2CCN(C(C)(C)C)C2=O)c1 ZINC000822818094 648295440 /nfs/dbraw/zinc/29/54/40/648295440.db2.gz JSJBBWQYMQCQEE-BXUZGUMPSA-N 0 3 306.406 2.451 20 10 DECDHN NC(=O)CC[N@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000179893534 648431675 /nfs/dbraw/zinc/43/16/75/648431675.db2.gz FPCXSNKQYDHTJS-UHFFFAOYSA-N 0 3 302.349 2.409 20 10 DECDHN NC(=O)CC[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000179893534 648431678 /nfs/dbraw/zinc/43/16/78/648431678.db2.gz FPCXSNKQYDHTJS-UHFFFAOYSA-N 0 3 302.349 2.409 20 10 DECDHN C/C(=C\C(=O)N1C[C@@H](N(C)C)Cc2ccccc21)c1cnccn1 ZINC000825805630 648813125 /nfs/dbraw/zinc/81/31/25/648813125.db2.gz KYBJFVSJSDLCQQ-DKGMDFAASA-N 0 3 322.412 2.399 20 10 DECDHN COc1cc(Br)cc(C[NH2+][C@@H]2CO[C@@H](C)C2)c1[O-] ZINC000842773609 648869600 /nfs/dbraw/zinc/86/96/00/648869600.db2.gz BYAIALLWIRBSAI-KWQFWETISA-N 0 3 316.195 2.430 20 10 DECDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1[O-] ZINC000827132411 648978867 /nfs/dbraw/zinc/97/88/67/648978867.db2.gz MHPYBWLPGWYPBC-RISCZKNCSA-N 0 3 308.809 2.455 20 10 DECDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1[O-] ZINC000827132411 648978868 /nfs/dbraw/zinc/97/88/68/648978868.db2.gz MHPYBWLPGWYPBC-RISCZKNCSA-N 0 3 308.809 2.455 20 10 DECDHN C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H](C)C1O ZINC000827151836 648982676 /nfs/dbraw/zinc/98/26/76/648982676.db2.gz KPWFFCRAVPMXPW-ZIAGYGMSSA-N 0 3 322.424 2.111 20 10 DECDHN CCN(CC)c1ccc(CNC(=O)C(N)C(F)(F)F)cc1 ZINC000827341022 649018604 /nfs/dbraw/zinc/01/86/04/649018604.db2.gz PRYGNQSRHSIFLK-LBPRGKRZSA-N 0 3 303.328 2.039 20 10 DECDHN Cc1cc([O-])c(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(Cl)c1 ZINC000827699525 649071290 /nfs/dbraw/zinc/07/12/90/649071290.db2.gz IGOGCFTVTATESN-CQSZACIVSA-N 0 3 324.852 2.385 20 10 DECDHN Cc1cc([O-])c(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)c(Cl)c1 ZINC000827699525 649071292 /nfs/dbraw/zinc/07/12/92/649071292.db2.gz IGOGCFTVTATESN-CQSZACIVSA-N 0 3 324.852 2.385 20 10 DECDHN CC(C)[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)N1CCOCC1 ZINC000834496885 649807336 /nfs/dbraw/zinc/80/73/36/649807336.db2.gz SXVMDSIPWWYMRF-CVEARBPZSA-N 0 3 304.434 2.326 20 10 DECDHN COc1ccc(N(C)CCN(C)Cc2ccnc(N)c2)cc1 ZINC000844401249 651123366 /nfs/dbraw/zinc/12/33/66/651123366.db2.gz IUYYQKAFUGDTES-UHFFFAOYSA-N 0 3 300.406 2.241 20 10 DECDHN COc1ccc(N2CC[C@@H](NCc3cc(C)nn3C)C2)cc1 ZINC000850347420 651905700 /nfs/dbraw/zinc/90/57/00/651905700.db2.gz RWWXJQDJGSDCAN-CQSZACIVSA-N 0 3 300.406 2.106 20 10 DECDHN COc1ccc(N2CC[C@@H](N[C@@H](C)c3ccc(=O)[nH]n3)C2)cc1 ZINC000850488763 651938107 /nfs/dbraw/zinc/93/81/07/651938107.db2.gz OLOBSNHSTGXOKM-QWHCGFSZSA-N 0 3 314.389 2.120 20 10 DECDHN O=C1N(CC[NH2+][C@@H]2CCc3cccc([O-])c32)C[C@H]2CCCCN12 ZINC000850560370 651954172 /nfs/dbraw/zinc/95/41/72/651954172.db2.gz DPOFWDPIJZGCTM-HUUCEWRRSA-N 0 3 315.417 2.259 20 10 DECDHN Cc1nc2n(n1)C[C@@H](NCc1cc(F)c(N(C)C)cc1F)CC2 ZINC000858121933 652259858 /nfs/dbraw/zinc/25/98/58/652259858.db2.gz NPGUIJBGFFEFSY-LBPRGKRZSA-N 0 3 321.375 2.035 20 10 DECDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CCCc3c1cnn3CCO)CC2 ZINC000391863003 685447119 /nfs/dbraw/zinc/44/71/19/685447119.db2.gz UBNOWCGQJLKAEG-CABCVRRESA-N 0 3 313.401 2.236 20 10 DECDHN Cc1cc(C(=O)N[C@@H]2CCN(C)[C@H]2C)c(C)n1-c1ccccn1 ZINC000928457438 693786227 /nfs/dbraw/zinc/78/62/27/693786227.db2.gz XEXWXBXWFBACIS-GOEBONIOSA-N 0 3 312.417 2.312 20 10 DECDHN CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCc2c([O-])cccc2F)C1 ZINC000928705258 693830682 /nfs/dbraw/zinc/83/06/82/693830682.db2.gz FLFPXFLDYIKEOY-MRXNPFEDSA-N 0 3 312.360 2.360 20 10 DECDHN CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCc2c([O-])cccc2F)C1 ZINC000928705258 693830685 /nfs/dbraw/zinc/83/06/85/693830685.db2.gz FLFPXFLDYIKEOY-MRXNPFEDSA-N 0 3 312.360 2.360 20 10 DECDHN CCN(CC)c1ccc(CN2CC[C@@H]3COC(=O)N[C@H]3C2)cc1 ZINC000281317880 685215817 /nfs/dbraw/zinc/21/58/17/685215817.db2.gz RAATXIPGHHFAID-WBVHZDCISA-N 0 3 317.433 2.463 20 10 DECDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H]1CCC13CCOCC3)OCO2 ZINC000865779087 687331635 /nfs/dbraw/zinc/33/16/35/687331635.db2.gz RMUJJWGCRPHALZ-ZDUSSCGKSA-N 0 3 305.374 2.417 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)Nc2ccon2)N(C)C)cc1 ZINC000930653185 694211177 /nfs/dbraw/zinc/21/11/77/694211177.db2.gz UKMGAPVTLHQCHV-AWEZNQCLSA-N 0 3 317.393 2.165 20 10 DECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000877516357 690137730 /nfs/dbraw/zinc/13/77/30/690137730.db2.gz DEBFQTSPMPFJOZ-OAHLLOKOSA-N 0 3 317.433 2.470 20 10 DECDHN COc1ccc(O)c(CN2C[C@@H](O)[C@H](Oc3ccccc3)C2)c1 ZINC000877665777 690183857 /nfs/dbraw/zinc/18/38/57/690183857.db2.gz IUSWDZYFOUJRNV-QZTJIDSGSA-N 0 3 315.369 2.025 20 10 DECDHN Cc1cc(Br)cc(C[NH2+][C@H]2C[C@@H](CO)C2)c1[O-] ZINC000877667883 690184407 /nfs/dbraw/zinc/18/44/07/690184407.db2.gz RZEHLVIFWHOUPZ-WVSHTKLVSA-N 0 3 300.196 2.324 20 10 DECDHN CONC(=O)C1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000877785754 690228976 /nfs/dbraw/zinc/22/89/76/690228976.db2.gz FJAADWNWKQJIQX-PLNGDYQASA-N 0 3 317.433 2.155 20 10 DECDHN COc1ccc(N2CCN(CC[C@@H]3CCCO3)CC2)c(OC)c1 ZINC000879462311 690646543 /nfs/dbraw/zinc/64/65/43/690646543.db2.gz NZVHCDYNNMAOIO-HNNXBMFYSA-N 0 3 320.433 2.395 20 10 DECDHN COc1ccc(N2CCN([C@@H]3CC[C@@H](OC)C3)CC2)c(OC)c1 ZINC000879461723 690646653 /nfs/dbraw/zinc/64/66/53/690646653.db2.gz HMUBTYKKHOQDIY-HUUCEWRRSA-N 0 3 320.433 2.393 20 10 DECDHN Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651712 690699037 /nfs/dbraw/zinc/69/90/37/690699037.db2.gz IHZKJQIPRALQHU-JTQLQIEISA-N 0 3 302.378 2.032 20 10 DECDHN CCN(C)c1ccc([C@@H](C)N[C@H]2C[C@H](S(C)(=O)=O)C2)cc1 ZINC000883374146 691492382 /nfs/dbraw/zinc/49/23/82/691492382.db2.gz READEELJXMHLOA-XNRPHZJLSA-N 0 3 310.463 2.369 20 10 DECDHN COc1cccc([O-])c1C[NH2+]C[C@H](O)Cc1ccccc1F ZINC000886234005 692032647 /nfs/dbraw/zinc/03/26/47/692032647.db2.gz CXSMECIZDPDFSB-CYBMUJFWSA-N 0 3 305.349 2.233 20 10 DECDHN CCN1CCN([C@H](C)C[NH2+][C@H](C)c2c([O-])cccc2F)CC1 ZINC000886504238 692095824 /nfs/dbraw/zinc/09/58/24/692095824.db2.gz XQMFAXGVQITEDZ-ZIAGYGMSSA-N 0 3 309.429 2.208 20 10 DECDHN C[C@@H]1[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CCN1C ZINC000925328135 693257448 /nfs/dbraw/zinc/25/74/48/693257448.db2.gz UXIMIKXSDFMSDM-WBMJQRKESA-N 0 3 317.433 2.163 20 10 DECDHN COc1cc(O)c(CN2CCN(C3CCC3)CC2)c(OC)c1 ZINC001141032248 778138559 /nfs/dbraw/zinc/13/85/59/778138559.db2.gz XGGMKFAKFSIYLF-UHFFFAOYSA-N 0 3 306.406 2.080 20 10 DECDHN CN(C)Cc1cccc(C(=O)NCc2ccc(O)cc2O)c1 ZINC001142532984 780798193 /nfs/dbraw/zinc/79/81/93/780798193.db2.gz BIPJRJZSLWVCCB-UHFFFAOYSA-N 0 3 300.358 2.089 20 10 DECDHN C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCN1C1CCCC1 ZINC001177713626 794735330 /nfs/dbraw/zinc/73/53/30/794735330.db2.gz WRJRKXAZBUUDQV-ZDUSSCGKSA-N 0 3 318.417 2.116 20 10 DECDHN CNC(=O)[C@@H](Cc1ccccc1)NCc1ccc(OC)c(C)c1 ZINC001178482676 794934771 /nfs/dbraw/zinc/93/47/71/794934771.db2.gz IXNOTDRGRDVGDM-QGZVFWFLSA-N 0 3 312.413 2.451 20 10 DECDHN COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC001116753261 794983701 /nfs/dbraw/zinc/98/37/01/794983701.db2.gz NVOJOLAQBSGSTM-VXGBXAGGSA-N 0 3 313.781 2.486 20 10 DECDHN [O-]c1cc2c(cc1C[NH+]1CCC3(CCCCO3)CC1)[C@H](O)CO2 ZINC001119392452 795297265 /nfs/dbraw/zinc/29/72/65/795297265.db2.gz LURLXDBFDLFHNQ-MRXNPFEDSA-N 0 3 319.401 2.353 20 10 DECDHN COc1ccc(CN[C@@H](C)c2cnn(C)c2C)c(O)c1OC ZINC001119940759 795376454 /nfs/dbraw/zinc/37/64/54/795376454.db2.gz LTOIZNBRHHSUHO-JTQLQIEISA-N 0 3 305.378 2.302 20 10 DECDHN CCN1CCN(Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001138337955 796198637 /nfs/dbraw/zinc/19/86/37/796198637.db2.gz HVYCFCCSUIMITC-UHFFFAOYSA-N 0 3 315.461 2.229 20 10 DECDHN COc1cc(CN2CCC(=O)C[C@H]2C)cc(CN(C)C)c1O ZINC001139256318 796349695 /nfs/dbraw/zinc/34/96/95/796349695.db2.gz YPVQSMNZMWKGMR-GFCCVEGCSA-N 0 3 306.406 2.016 20 10 DECDHN Cc1ccnc(N2CCN(Cc3c(C)ccc(C)c3O)CC2)n1 ZINC001140185468 796488694 /nfs/dbraw/zinc/48/86/94/796488694.db2.gz WHXWTGXKIXGVJI-UHFFFAOYSA-N 0 3 312.417 2.430 20 10 DECDHN C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2F)CC[C@]1(C)O ZINC001140660598 796552710 /nfs/dbraw/zinc/55/27/10/796552710.db2.gz XNEKBFFHPCMPTM-KDOFPFPSSA-N 0 3 322.424 2.255 20 10 DECDHN COc1cc([O-])c(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c(OC)c1 ZINC001141029305 796621023 /nfs/dbraw/zinc/62/10/23/796621023.db2.gz OWJSFYGRBOHDCB-CRJCFHLZSA-N 0 3 305.374 2.019 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c(OC)c1 ZINC001141029305 796621028 /nfs/dbraw/zinc/62/10/28/796621028.db2.gz OWJSFYGRBOHDCB-CRJCFHLZSA-N 0 3 305.374 2.019 20 10 DECDHN COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141029325 796621106 /nfs/dbraw/zinc/62/11/06/796621106.db2.gz PRFLWHLODVBAPH-RYUDHWBXSA-N 0 3 323.389 2.040 20 10 DECDHN COC(=O)[C@H]1C[C@H](C)C[N@@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141029325 796621110 /nfs/dbraw/zinc/62/11/10/796621110.db2.gz PRFLWHLODVBAPH-RYUDHWBXSA-N 0 3 323.389 2.040 20 10 DECDHN Cc1cnc(O[C@@H]2CCCN(Cc3cc(O)ccc3O)C2)nc1 ZINC001141162834 796643206 /nfs/dbraw/zinc/64/32/06/796643206.db2.gz GTJOUNGJDFBLIA-OAHLLOKOSA-N 0 3 315.373 2.240 20 10 DECDHN [O-]c1ccccc1C[N@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001203551862 800079385 /nfs/dbraw/zinc/07/93/85/800079385.db2.gz RCIRBXYEFKTNLG-CALCHBBNSA-N 0 3 309.413 2.351 20 10 DECDHN [O-]c1ccccc1C[N@@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001203551862 800079394 /nfs/dbraw/zinc/07/93/94/800079394.db2.gz RCIRBXYEFKTNLG-CALCHBBNSA-N 0 3 309.413 2.351 20 10 DECDHN COc1ccc(C[N@H+](C(C)C)[C@@H]2CCN(C(C)=O)C2)c([O-])c1 ZINC001203634396 800095040 /nfs/dbraw/zinc/09/50/40/800095040.db2.gz CYTBSWGFQAHJLR-OAHLLOKOSA-N 0 3 306.406 2.232 20 10 DECDHN COc1ccc(C[N@@H+](C(C)C)[C@@H]2CCN(C(C)=O)C2)c([O-])c1 ZINC001203634396 800095049 /nfs/dbraw/zinc/09/50/49/800095049.db2.gz CYTBSWGFQAHJLR-OAHLLOKOSA-N 0 3 306.406 2.232 20 10 DECDHN COc1ccc(CN2CCCN(C(=O)CC(C)C)CC2)c(O)c1 ZINC001203634882 800097530 /nfs/dbraw/zinc/09/75/30/800097530.db2.gz ZNUFJZULSPPHIJ-UHFFFAOYSA-N 0 3 320.433 2.481 20 10 DECDHN CCNC(=O)OC1CCN(Cc2cc(OC)ccc2O)CC1 ZINC001203680419 800104864 /nfs/dbraw/zinc/10/48/64/800104864.db2.gz WJSJRSYYQFLNPO-UHFFFAOYSA-N 0 3 308.378 2.111 20 10 DECDHN CC(C)N1CCC2(CCN(Cc3ccc(O)c(O)c3)CC2)C1=O ZINC001203883747 800139317 /nfs/dbraw/zinc/13/93/17/800139317.db2.gz NKYVFAQAOSXFCE-UHFFFAOYSA-N 0 3 318.417 2.321 20 10 DECDHN CN(C)C(=O)C1CN(Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204243348 800193697 /nfs/dbraw/zinc/19/36/97/800193697.db2.gz YACCDTHDACNGRI-UHFFFAOYSA-N 0 3 311.429 2.426 20 10 DECDHN Cc1ccnc(OC2CCN(Cc3ccc(O)cc3O)CC2)n1 ZINC001204277642 800198952 /nfs/dbraw/zinc/19/89/52/800198952.db2.gz HSBUDMJKKDCDPO-UHFFFAOYSA-N 0 3 315.373 2.240 20 10 DECDHN CC(=O)N[C@@H]1CCCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204327289 800205212 /nfs/dbraw/zinc/20/52/12/800205212.db2.gz PJJGXPHNKLZQAM-QGZVFWFLSA-N 0 3 301.434 2.387 20 10 DECDHN COc1cc(CN2CC[C@H](c3ccncc3)C2)cc(O)c1O ZINC001204342550 800206566 /nfs/dbraw/zinc/20/65/66/800206566.db2.gz NFNILKZYSXWFAS-AWEZNQCLSA-N 0 3 300.358 2.491 20 10 DECDHN Cc1cccc(CN2CCN(CCc3ccccn3)CC2)c1O ZINC001231593352 801691752 /nfs/dbraw/zinc/69/17/52/801691752.db2.gz UVXIZSYOTCPUJH-UHFFFAOYSA-N 0 3 311.429 2.456 20 10 DECDHN COC(=O)c1c(CN2CC[C@](C)(CO)C2)c2ccccc2n1C ZINC001232402371 801870063 /nfs/dbraw/zinc/87/00/63/801870063.db2.gz MFHZUNSJTXZGEG-SFHVURJKSA-N 0 3 316.401 2.169 20 10 DECDHN CCOC(=O)c1c(CN2CC(N(C)C)C2)c2ccccc2n1C ZINC001233270522 802059694 /nfs/dbraw/zinc/05/96/94/802059694.db2.gz QIJGHEWACNIXIJ-UHFFFAOYSA-N 0 3 315.417 2.101 20 10 DECDHN CCOC(=O)c1c(CN2CC[C@H](CO)C2)c2ccccc2n1C ZINC001233272338 802059715 /nfs/dbraw/zinc/05/97/15/802059715.db2.gz HKOWUHQEJQPCDR-ZDUSSCGKSA-N 0 3 316.401 2.169 20 10 DECDHN CCOC(=O)c1c(CN2CC[C@](C)(O)C2)c2ccccc2n1C ZINC001233270563 802060349 /nfs/dbraw/zinc/06/03/49/802060349.db2.gz RPYNEHRKZZQKRI-SFHVURJKSA-N 0 3 316.401 2.312 20 10 DECDHN COc1cc(Cl)cc(C[NH+]2CCC(C)(C(N)=O)CC2)c1[O-] ZINC001233289698 802064576 /nfs/dbraw/zinc/06/45/76/802064576.db2.gz IEXQIIMMCFKOHS-UHFFFAOYSA-N 0 3 312.797 2.142 20 10 DECDHN CN(Cc1cc(O)c(O)cc1O)C[C@@H]1Cc2ccccc2O1 ZINC001233487409 802129020 /nfs/dbraw/zinc/12/90/20/802129020.db2.gz CDFYZCVUYCQRDB-ZDUSSCGKSA-N 0 3 301.342 2.239 20 10 DECDHN CC(=O)N[C@@H]1CCN(Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233768542 802204353 /nfs/dbraw/zinc/20/43/53/802204353.db2.gz TZFSZUXBBUMAKT-LLVKDONJSA-N 0 3 318.295 2.001 20 10 DECDHN CC(C)N1CCC[C@H](Oc2nc[nH]c3cc(=O)c(O)cc2-3)C1 ZINC001233948375 802249677 /nfs/dbraw/zinc/24/96/77/802249677.db2.gz GHZLBYMNZDJUMZ-NSHDSACASA-N 0 3 303.362 2.293 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c([O-])c1 ZINC001621160279 1078170832 /nfs/dbraw/zinc/17/08/32/1078170832.db2.gz UUAZRVITBFXQFS-AWEZNQCLSA-N 0 3 316.405 2.213 20 10 DECDHN COc1cc(C)c(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)c([O-])c1 ZINC001621160279 1078170833 /nfs/dbraw/zinc/17/08/33/1078170833.db2.gz UUAZRVITBFXQFS-AWEZNQCLSA-N 0 3 316.405 2.213 20 10 DECDHN CN(C)Cc1cccc(C(=O)NCc2cc(O)ccc2O)c1 ZINC001644752518 1078860124 /nfs/dbraw/zinc/86/01/24/1078860124.db2.gz IYOAMIPBNWTVKT-UHFFFAOYSA-N 0 3 300.358 2.089 20 10 DECDHN COc1ccc(CNC2(CNC(=O)[C@@H](C)SC)CC2)cc1C ZINC001483720005 1078865758 /nfs/dbraw/zinc/86/57/58/1078865758.db2.gz UGSYTDBAOFTPMM-CYBMUJFWSA-N 0 3 322.474 2.494 20 10 DECDHN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCCN1C ZINC001540488250 1072414173 /nfs/dbraw/zinc/41/41/73/1072414173.db2.gz KCWRAZKMUCBHRD-KRWDZBQOSA-N 0 3 301.434 2.339 20 10 DECDHN CC(C)CN1CC[C@]2(CC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618514 1079014970 /nfs/dbraw/zinc/01/49/70/1079014970.db2.gz KESUHALTURUALM-SFHVURJKSA-N 0 3 302.418 2.473 20 10 DECDHN CC(C)CN1CC[C@]2(CC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618514 1079014973 /nfs/dbraw/zinc/01/49/73/1079014973.db2.gz KESUHALTURUALM-SFHVURJKSA-N 0 3 302.418 2.473 20 10 DECDHN C[C@@H]([NH2+]Cc1ccc(OCC(N)=O)cc1)c1ccccc1[O-] ZINC001560575964 1075142109 /nfs/dbraw/zinc/14/21/09/1075142109.db2.gz XEUWMIDRCGRFHR-GFCCVEGCSA-N 0 3 300.358 2.107 20 10 DECDHN Cc1ccc(C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)c(O)c1 ZINC001592165902 1076864785 /nfs/dbraw/zinc/86/47/85/1076864785.db2.gz NFJHUHRAEATURG-UHFFFAOYSA-N 0 3 313.336 2.310 20 10 DECDHN CN1CCN(c2ccc(CNCc3cnsc3)cc2)CC1 ZINC001621047733 1077511781 /nfs/dbraw/zinc/51/17/81/1077511781.db2.gz CANOYEIQSGGIEY-UHFFFAOYSA-N 0 3 302.447 2.185 20 10 DECDHN CCc1cc(CNCc2ccc(N3CCOCC3)c(F)c2)n[nH]1 ZINC001656458818 1080095520 /nfs/dbraw/zinc/09/55/20/1080095520.db2.gz WBKUUVUEAXGSMO-UHFFFAOYSA-N 0 3 318.396 2.238 20 10 DECDHN CCc1ccc(C[N@@H+]2CCC[C@@]3(CN(C)CCO3)C2)c([O-])c1 ZINC001276805547 1083623370 /nfs/dbraw/zinc/62/33/70/1083623370.db2.gz XREKTTYDOTWATK-GOSISDBHSA-N 0 3 304.434 2.251 20 10 DECDHN CCc1ccc(C[N@H+]2CCC[C@@]3(CN(C)CCO3)C2)c([O-])c1 ZINC001276805547 1083623377 /nfs/dbraw/zinc/62/33/77/1083623377.db2.gz XREKTTYDOTWATK-GOSISDBHSA-N 0 3 304.434 2.251 20 10 DECDHN CCN(C(=O)[C@@]12C[C@@H]1CCN2Cc1ccc(O)cc1O)C(C)C ZINC001277192651 1083839882 /nfs/dbraw/zinc/83/98/82/1083839882.db2.gz SBUJTEJUZLJERI-KBXCAEBGSA-N 0 3 318.417 2.319 20 10 DECDHN Cc1cc([O-])c(CN2CCCC23C[NH2+]C3)cc1Br ZINC001235091082 1084308224 /nfs/dbraw/zinc/30/82/24/1084308224.db2.gz YKOUPKKAVIYNOL-UHFFFAOYSA-N 0 3 311.223 2.401 20 10 DECDHN CC(C)(C)c1ccc(C[NH+]2CCC(NC(N)=O)CC2)c([O-])c1 ZINC001235674079 1084496382 /nfs/dbraw/zinc/49/63/82/1084496382.db2.gz DJQKTKGXEXYQHD-UHFFFAOYSA-N 0 3 305.422 2.322 20 10 DECDHN CCc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NC)CC2)c([O-])c1 ZINC001274653920 1091353113 /nfs/dbraw/zinc/35/31/13/1091353113.db2.gz BFGKFROUZNMKGP-OAHLLOKOSA-N 0 3 302.418 2.303 20 10 DECDHN CC(C)NC(=O)N1CCC2(CN(Cc3ccccc3O)C2)C1 ZINC001275266633 1091644239 /nfs/dbraw/zinc/64/42/39/1091644239.db2.gz BVGXKIXNKLIATA-UHFFFAOYSA-N 0 3 303.406 2.018 20 10 DECDHN CCc1ccc(CN2Cc3ccnn3C[C@H](COC)C2)c(O)c1 ZINC001236788487 1138428805 /nfs/dbraw/zinc/42/88/05/1138428805.db2.gz KLQHNFHPLWWUDH-OAHLLOKOSA-N 0 3 315.417 2.430 20 10 DECDHN COc1cc(C)c(CN2CCN(C[C@@H]3CCCO3)CC2)c(O)c1 ZINC001236815015 1138438535 /nfs/dbraw/zinc/43/85/35/1138438535.db2.gz ZUMCJAPBKGONSU-HNNXBMFYSA-N 0 3 320.433 2.006 20 10 DECDHN C[C@]1(CO)CC[N@H+](Cc2cc3ccccc3cc2[O-])C[C@H]1O ZINC001236827198 1138440888 /nfs/dbraw/zinc/44/08/88/1138440888.db2.gz RAQXSAAFYQHCHZ-QZTJIDSGSA-N 0 3 301.386 2.111 20 10 DECDHN C[C@]1(CO)CC[N@@H+](Cc2cc3ccccc3cc2[O-])C[C@H]1O ZINC001236827198 1138440894 /nfs/dbraw/zinc/44/08/94/1138440894.db2.gz RAQXSAAFYQHCHZ-QZTJIDSGSA-N 0 3 301.386 2.111 20 10 DECDHN CN1C[C@@H]2C[C@H]1CN2Cc1ccc(N2CCOCC2)cc1Cl ZINC001236920193 1138456881 /nfs/dbraw/zinc/45/68/81/1138456881.db2.gz SNUQLXXGYPRFRP-HOTGVXAUSA-N 0 3 321.852 2.065 20 10 DECDHN CN1CCCc2cc(CN3CCNC[C@@H]3C(F)(F)F)ccc21 ZINC001236977761 1138473922 /nfs/dbraw/zinc/47/39/22/1138473922.db2.gz VYAXEOYHCLHALY-OAHLLOKOSA-N 0 3 313.367 2.405 20 10 DECDHN CCOc1ccc(CN2C[C@@H]3C[C@H](C2)C3C(=O)OC)c(O)c1 ZINC001237046402 1138487557 /nfs/dbraw/zinc/48/75/57/1138487557.db2.gz BVRKHPCHZGEAFF-OCZCAGDBSA-N 0 3 305.374 2.032 20 10 DECDHN CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@H](C2)C3C(=O)OC)c([O-])c1 ZINC001237046402 1138487569 /nfs/dbraw/zinc/48/75/69/1138487569.db2.gz BVRKHPCHZGEAFF-OCZCAGDBSA-N 0 3 305.374 2.032 20 10 DECDHN CCOc1ccc(C[N@H+]2C[C@@H]3C[C@H](C2)C3C(=O)OC)c([O-])c1 ZINC001237046402 1138487581 /nfs/dbraw/zinc/48/75/81/1138487581.db2.gz BVRKHPCHZGEAFF-OCZCAGDBSA-N 0 3 305.374 2.032 20 10 DECDHN CC(C)CN(C)Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237203614 1138529970 /nfs/dbraw/zinc/52/99/70/1138529970.db2.gz UAQODRSGSHMJJF-UHFFFAOYSA-N 0 3 310.463 2.009 20 10 DECDHN C[C@H]1CCCCN1Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237204011 1138530120 /nfs/dbraw/zinc/53/01/20/1138530120.db2.gz XGCHGTQOEMIAPO-HNNXBMFYSA-N 0 3 322.474 2.296 20 10 DECDHN Cc1cc(O)c(CN2CCN3CC[C@H]3C2)cc1Br ZINC001237684191 1138756859 /nfs/dbraw/zinc/75/68/59/1138756859.db2.gz HQZCWDFQRJIELU-LBPRGKRZSA-N 0 3 311.223 2.353 20 10 DECDHN Cc1cc(F)cc(C[N@H+]2CCCC[C@@]23CC(=O)N(C)C3)c1[O-] ZINC001238059648 1138819220 /nfs/dbraw/zinc/81/92/20/1138819220.db2.gz BVHNJKDGFKCUGU-KRWDZBQOSA-N 0 3 306.381 2.427 20 10 DECDHN Cc1cc(F)cc(C[N@@H+]2CCCC[C@@]23CC(=O)N(C)C3)c1[O-] ZINC001238059648 1138819221 /nfs/dbraw/zinc/81/92/21/1138819221.db2.gz BVHNJKDGFKCUGU-KRWDZBQOSA-N 0 3 306.381 2.427 20 10 DECDHN CCOc1ccc(N2CCN(C(=O)[C@@H](CC)N(C)C)CC2)cc1 ZINC001319624860 1140627556 /nfs/dbraw/zinc/62/75/56/1140627556.db2.gz ZTLQFFPXMFGOFJ-QGZVFWFLSA-N 0 3 319.449 2.074 20 10 DECDHN CNC(=O)C1(NCc2ccc(N3CCCC3)cc2)CCCC1 ZINC001320486889 1140870867 /nfs/dbraw/zinc/87/08/67/1140870867.db2.gz PNURXXJCRNRXQQ-UHFFFAOYSA-N 0 3 301.434 2.435 20 10 DECDHN CCOc1ccc(C[NH2+]C[C@@H](CO)CC2CCOCC2)c([O-])c1 ZINC001322130259 1141400812 /nfs/dbraw/zinc/40/08/12/1141400812.db2.gz RFVJYSCNUAURQR-HNNXBMFYSA-N 0 3 323.433 2.306 20 10 DECDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)c([O-])c1 ZINC001249201440 1141859123 /nfs/dbraw/zinc/85/91/23/1141859123.db2.gz SKWUNHOFFUESQW-LBPRGKRZSA-N 0 3 317.307 2.492 20 10 DECDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C2)c([O-])c1 ZINC001249201440 1141859125 /nfs/dbraw/zinc/85/91/25/1141859125.db2.gz SKWUNHOFFUESQW-LBPRGKRZSA-N 0 3 317.307 2.492 20 10 DECDHN CNC(=O)CC[N@H+](C)Cc1cc(C)c(Br)cc1[O-] ZINC001250129117 1142086605 /nfs/dbraw/zinc/08/66/05/1142086605.db2.gz XXTCNUQFOWRKKO-UHFFFAOYSA-N 0 3 315.211 2.031 20 10 DECDHN CNC(=O)CC[N@@H+](C)Cc1cc(C)c(Br)cc1[O-] ZINC001250129117 1142086608 /nfs/dbraw/zinc/08/66/08/1142086608.db2.gz XXTCNUQFOWRKKO-UHFFFAOYSA-N 0 3 315.211 2.031 20 10 DECDHN Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001251701395 1142489768 /nfs/dbraw/zinc/48/97/68/1142489768.db2.gz UJLZQIYKOKGCSS-INIZCTEOSA-N 0 3 313.397 2.499 20 10 DECDHN Cc1ccccc1OC[C@@H](O)C[N@H+]1CCc2cccc([O-])c2C1 ZINC001251701395 1142489771 /nfs/dbraw/zinc/48/97/71/1142489771.db2.gz UJLZQIYKOKGCSS-INIZCTEOSA-N 0 3 313.397 2.499 20 10 DECDHN COc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC001252904903 1142828812 /nfs/dbraw/zinc/82/88/12/1142828812.db2.gz IHAJGDUCVSQISN-KGLIPLIRSA-N 0 3 317.385 2.491 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]Cc2c(C)c(C)n[nH]c2=O)c1[O-] ZINC001254815600 1143327339 /nfs/dbraw/zinc/32/73/39/1143327339.db2.gz ZIIUXYSCIWJXGW-UHFFFAOYSA-N 0 3 323.780 2.456 20 10 DECDHN COCCOCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000079433071 185171092 /nfs/dbraw/zinc/17/10/92/185171092.db2.gz ZOFPYKZKDWENFL-MRXNPFEDSA-N 0 3 309.406 2.036 20 10 DECDHN COCCOCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000079433071 185171093 /nfs/dbraw/zinc/17/10/93/185171093.db2.gz ZOFPYKZKDWENFL-MRXNPFEDSA-N 0 3 309.406 2.036 20 10 DECDHN COc1cccc(C[N@@H+]2CCC[C@H](c3nc(C)no3)C2)c1[O-] ZINC000091832994 193113810 /nfs/dbraw/zinc/11/38/10/193113810.db2.gz YQSOTNWRVXRKNQ-ZDUSSCGKSA-N 0 3 303.362 2.472 20 10 DECDHN COc1cccc(C[N@H+]2CCC[C@H](c3nc(C)no3)C2)c1[O-] ZINC000091832994 193113811 /nfs/dbraw/zinc/11/38/11/193113811.db2.gz YQSOTNWRVXRKNQ-ZDUSSCGKSA-N 0 3 303.362 2.472 20 10 DECDHN COCCCOC1CC[NH+](Cc2cccc(OC)c2[O-])CC1 ZINC000093561505 193267821 /nfs/dbraw/zinc/26/78/21/193267821.db2.gz QEEFIBXDIIGBCO-UHFFFAOYSA-N 0 3 309.406 2.418 20 10 DECDHN C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1cc(F)ccc1[O-] ZINC000186022225 299423516 /nfs/dbraw/zinc/42/35/16/299423516.db2.gz BERGZWDABHIXQJ-KWQFWETISA-N 0 3 320.286 2.345 20 10 DECDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CCN(C)CC2)c([O-])c1C ZINC000273594143 130141482 /nfs/dbraw/zinc/14/14/82/130141482.db2.gz QBAPJKCNOUOVAZ-GOEBONIOSA-N 0 3 305.466 2.296 20 10 DECDHN COc1ccc([O-])c(C[NH2+]CCc2cn3c(n2)SCC3)c1 ZINC000274449854 130235799 /nfs/dbraw/zinc/23/57/99/130235799.db2.gz URIIZHAJRLKXKJ-UHFFFAOYSA-N 0 3 305.403 2.035 20 10 DECDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)c1 ZINC000275582449 130339900 /nfs/dbraw/zinc/33/99/00/130339900.db2.gz PEFGVPUTEIPALH-DOTOQJQBSA-N 0 3 301.390 2.444 20 10 DECDHN C[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@@H](O)c1ccccc1 ZINC000288549179 131330191 /nfs/dbraw/zinc/33/01/91/131330191.db2.gz LIJQTXXCTJEEOJ-PIGZYNQJSA-N 0 3 301.342 2.333 20 10 DECDHN C[C@](O)(C[NH2+]Cc1cc2c(cc1[O-])OCO2)c1ccccc1 ZINC000114508536 401802531 /nfs/dbraw/zinc/80/25/31/401802531.db2.gz MBGYJUSSZVYMQQ-KRWDZBQOSA-N 0 3 301.342 2.118 20 10 DECDHN Cc1ccc([O-])c(C[NH2+]C[C@@H](C(C)C)N2CCN(C)CC2)c1 ZINC000103855723 402194452 /nfs/dbraw/zinc/19/44/52/402194452.db2.gz GOAMRDWDVUOBBD-KRWDZBQOSA-N 0 3 305.466 2.062 20 10 DECDHN CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000185345082 402346178 /nfs/dbraw/zinc/34/61/78/402346178.db2.gz BWASJZQMCQFWHE-GJZGRUSLSA-N 0 3 323.456 2.456 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1OC ZINC000160452423 402346365 /nfs/dbraw/zinc/34/63/65/402346365.db2.gz IKCDQLQXEOJXHN-IUODEOHRSA-N 0 3 307.390 2.410 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1OC ZINC000160452423 402346368 /nfs/dbraw/zinc/34/63/68/402346368.db2.gz IKCDQLQXEOJXHN-IUODEOHRSA-N 0 3 307.390 2.410 20 10 DECDHN COCCN1CCC([NH2+][C@H](C)c2cc(OC)ccc2[O-])CC1 ZINC000185144871 402328125 /nfs/dbraw/zinc/32/81/25/402328125.db2.gz WTFAMCROHCXJPV-CYBMUJFWSA-N 0 3 308.422 2.162 20 10 DECDHN C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2ccccc2[O-])CC1 ZINC000179565124 402595049 /nfs/dbraw/zinc/59/50/49/402595049.db2.gz RRLGILGCRHRCCB-IRXDYDNUSA-N 0 3 317.477 2.383 20 10 DECDHN COc1cc([O-])c(C[N@H+](CC2CCC2)[C@@H](C)CO)cc1OC ZINC000289586406 286238765 /nfs/dbraw/zinc/23/87/65/286238765.db2.gz UIQPYSDLTGZCGZ-LBPRGKRZSA-N 0 3 309.406 2.392 20 10 DECDHN COc1cc([O-])c(C[N@@H+](CC2CCC2)[C@@H](C)CO)cc1OC ZINC000289586406 286238768 /nfs/dbraw/zinc/23/87/68/286238768.db2.gz UIQPYSDLTGZCGZ-LBPRGKRZSA-N 0 3 309.406 2.392 20 10 DECDHN COc1cc(N2CCN(CC3CC3)CC2)cc(OC)c1OC ZINC000183697614 402789775 /nfs/dbraw/zinc/78/97/75/402789775.db2.gz QFOJWIPGPPXPGE-UHFFFAOYSA-N 0 3 306.406 2.244 20 10 DECDHN NC(=O)N[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000271415935 402868660 /nfs/dbraw/zinc/86/86/60/402868660.db2.gz YMRBMQAFUCALPI-INIZCTEOSA-N 0 3 311.385 2.302 20 10 DECDHN NC(=O)N[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000271415935 402868662 /nfs/dbraw/zinc/86/86/62/402868662.db2.gz YMRBMQAFUCALPI-INIZCTEOSA-N 0 3 311.385 2.302 20 10 DECDHN CC[C@H]([NH2+]CCCN1CCN(C)CC1)c1ccc(C)cc1[O-] ZINC000280060307 402966880 /nfs/dbraw/zinc/96/68/80/402966880.db2.gz KGDGSIYYKPSEDY-KRWDZBQOSA-N 0 3 305.466 2.379 20 10 DECDHN CCN(C)c1ccc([C@@H](C)NCC2(S(C)(=O)=O)CC2)cc1 ZINC000280863028 403044469 /nfs/dbraw/zinc/04/44/69/403044469.db2.gz CHPQZTQHAGCABC-CYBMUJFWSA-N 0 3 310.463 2.371 20 10 DECDHN [O-]c1ccccc1C[N@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000281700897 403083001 /nfs/dbraw/zinc/08/30/01/403083001.db2.gz COGRHEWDSJLQFZ-QUCCMNQESA-N 0 3 324.424 2.477 20 10 DECDHN [O-]c1ccccc1C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000281700897 403083003 /nfs/dbraw/zinc/08/30/03/403083003.db2.gz COGRHEWDSJLQFZ-QUCCMNQESA-N 0 3 324.424 2.477 20 10 DECDHN CC(C)[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)C1(CO)CCC1 ZINC000292871161 403380889 /nfs/dbraw/zinc/38/08/89/403380889.db2.gz WKZCULIPMUVXNX-MRXNPFEDSA-N 0 3 307.390 2.398 20 10 DECDHN CCCOc1ccc(C[NH2+]CCCc2cnn(C)n2)c([O-])c1 ZINC000292952328 403384046 /nfs/dbraw/zinc/38/40/46/403384046.db2.gz KSJOEQWBOIRHLQ-UHFFFAOYSA-N 0 3 304.394 2.032 20 10 DECDHN CC(=O)NC[C@@H]1CCCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000293408615 403464600 /nfs/dbraw/zinc/46/46/00/403464600.db2.gz HZFBMTPWAUFWRM-KRWDZBQOSA-N 0 3 303.450 2.409 20 10 DECDHN [O-]c1ccccc1C[N@H+](CCc1cn[nH]c1)C[C@@H]1CCCO1 ZINC000290055959 404023925 /nfs/dbraw/zinc/02/39/25/404023925.db2.gz PBPGQBZMBFDDOZ-INIZCTEOSA-N 0 3 301.390 2.339 20 10 DECDHN [O-]c1ccccc1C[N@@H+](CCc1cn[nH]c1)C[C@@H]1CCCO1 ZINC000290055959 404023933 /nfs/dbraw/zinc/02/39/33/404023933.db2.gz PBPGQBZMBFDDOZ-INIZCTEOSA-N 0 3 301.390 2.339 20 10 DECDHN CN(C)c1ccc(CN2CC[C@@H](C(=O)N3CCCC3)C2)cc1F ZINC000290430567 404165445 /nfs/dbraw/zinc/16/54/45/404165445.db2.gz LHEFPYXFEUCTAC-OAHLLOKOSA-N 0 3 319.424 2.336 20 10 DECDHN C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1cc(F)ccc1[O-] ZINC000363870475 404232200 /nfs/dbraw/zinc/23/22/00/404232200.db2.gz VRRFZXUJEWDDAR-AAEUAGOBSA-N 0 3 304.369 2.194 20 10 DECDHN C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2ccccc2[O-])C[C@H](C)O1 ZINC000245589072 225220537 /nfs/dbraw/zinc/22/05/37/225220537.db2.gz FUXUZJBDJDRDCR-HLLBOEOZSA-N 0 3 304.434 2.466 20 10 DECDHN C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2ccccc2[O-])C[C@H](C)O1 ZINC000245589072 225220538 /nfs/dbraw/zinc/22/05/38/225220538.db2.gz FUXUZJBDJDRDCR-HLLBOEOZSA-N 0 3 304.434 2.466 20 10 DECDHN C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cc(F)ccc1[O-] ZINC000374900208 227140127 /nfs/dbraw/zinc/14/01/27/227140127.db2.gz URKXKCGUFATGLA-HLLBOEOZSA-N 0 3 308.397 2.215 20 10 DECDHN Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2cc(F)ccc2[O-])cn1 ZINC000374901691 227141705 /nfs/dbraw/zinc/14/17/05/227141705.db2.gz WXVABGXNLCFOGJ-NVXWUHKLSA-N 0 3 319.380 2.353 20 10 DECDHN Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2Cc2cc(F)ccc2[O-])cn1 ZINC000374901691 227141710 /nfs/dbraw/zinc/14/17/10/227141710.db2.gz WXVABGXNLCFOGJ-NVXWUHKLSA-N 0 3 319.380 2.353 20 10 DECDHN CN(C)c1ccc(CN[C@H](CO)C[C@@H](O)c2ccccc2)cc1 ZINC000269955944 276883972 /nfs/dbraw/zinc/88/39/72/276883972.db2.gz SSZYLZQTUDWKBL-PKOBYXMFSA-N 0 3 314.429 2.327 20 10 DECDHN C[C@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(F)cc1[O-] ZINC000185366794 333207783 /nfs/dbraw/zinc/20/77/83/333207783.db2.gz LVLCIVBALZTVFJ-AWEZNQCLSA-N 0 3 309.429 2.210 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](C3CCOCC3)C1)OCO2 ZINC000372212250 534448527 /nfs/dbraw/zinc/44/85/27/534448527.db2.gz OVVUCKHLWIFQHC-CYBMUJFWSA-N 0 3 305.374 2.369 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](C3CCOCC3)C1)OCO2 ZINC000372212250 534448532 /nfs/dbraw/zinc/44/85/32/534448532.db2.gz OVVUCKHLWIFQHC-CYBMUJFWSA-N 0 3 305.374 2.369 20 10 DECDHN CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cccc(OC)c1[O-])CC2 ZINC000093614048 520554498 /nfs/dbraw/zinc/55/44/98/520554498.db2.gz BCDRZFMYILVYSD-CVEARBPZSA-N 0 3 321.417 2.153 20 10 DECDHN CN(CCNC(=O)NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC000264821050 522854720 /nfs/dbraw/zinc/85/47/20/522854720.db2.gz HNUOTIGTMWTCMH-UHFFFAOYSA-N 0 3 316.449 2.180 20 10 DECDHN C[N@H+](Cc1cc(F)ccc1[O-])CC(C)(C)CN1CCOCC1 ZINC000180223895 523182695 /nfs/dbraw/zinc/18/26/95/523182695.db2.gz CZRDQNHZGXGYCP-UHFFFAOYSA-N 0 3 310.413 2.322 20 10 DECDHN C[N@@H+](Cc1cc(F)ccc1[O-])CC(C)(C)CN1CCOCC1 ZINC000180223895 523182701 /nfs/dbraw/zinc/18/27/01/523182701.db2.gz CZRDQNHZGXGYCP-UHFFFAOYSA-N 0 3 310.413 2.322 20 10 DECDHN Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180276602 527457006 /nfs/dbraw/zinc/45/70/06/527457006.db2.gz ODLUAIZFHJZUOW-WBMJQRKESA-N 0 3 319.380 2.210 20 10 DECDHN Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180276602 527457009 /nfs/dbraw/zinc/45/70/09/527457009.db2.gz ODLUAIZFHJZUOW-WBMJQRKESA-N 0 3 319.380 2.210 20 10 DECDHN CC1CCN(c2ccc(CNC(=O)[C@@]3(F)CCNC3)cc2)CC1 ZINC000371262583 528266140 /nfs/dbraw/zinc/26/61/40/528266140.db2.gz NYSIZMQWSXLKSX-GOSISDBHSA-N 0 3 319.424 2.241 20 10 DECDHN CC[C@@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)N(CC)CC ZINC000273153555 535425002 /nfs/dbraw/zinc/42/50/02/535425002.db2.gz IJRVKZCLCQGZFQ-OCCSQVGLSA-N 0 3 308.422 2.265 20 10 DECDHN CCN(C)c1ccc([C@H](C)NCC2(S(C)(=O)=O)CC2)cc1 ZINC000280863030 535765704 /nfs/dbraw/zinc/76/57/04/535765704.db2.gz CHPQZTQHAGCABC-ZDUSSCGKSA-N 0 3 310.463 2.371 20 10 DECDHN COC1(CO)CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835051809 649872506 /nfs/dbraw/zinc/87/25/06/649872506.db2.gz JYJNICNFISEKDF-PLNGDYQASA-N 0 3 304.434 2.239 20 10 DECDHN CCOC(=O)[C@H]1CCCN(Cc2ccc(OC)c(OC)c2O)C1 ZINC000891389027 624136537 /nfs/dbraw/zinc/13/65/37/624136537.db2.gz AFHUWGVYQBCVNU-ZDUSSCGKSA-N 0 3 323.389 2.185 20 10 DECDHN CCCCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891423230 624159336 /nfs/dbraw/zinc/15/93/36/624159336.db2.gz JZUHZSDZIOYCKQ-INIZCTEOSA-N 0 3 306.454 2.455 20 10 DECDHN Cc1ccc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c([O-])c1O ZINC000177675765 625056222 /nfs/dbraw/zinc/05/62/22/625056222.db2.gz OJLSIFWDTLRUPL-WCQYABFASA-N 0 3 306.406 2.256 20 10 DECDHN Cc1ccc(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c([O-])c1O ZINC000177675765 625056224 /nfs/dbraw/zinc/05/62/24/625056224.db2.gz OJLSIFWDTLRUPL-WCQYABFASA-N 0 3 306.406 2.256 20 10 DECDHN C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)C2CC2)c2c1c(F)ccc2[O-] ZINC000840884607 625192999 /nfs/dbraw/zinc/19/29/99/625192999.db2.gz RWDDMPYLTDKYEQ-SKDRFNHKSA-N 0 3 313.394 2.246 20 10 DECDHN CCCN1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009671905 633810636 /nfs/dbraw/zinc/81/06/36/633810636.db2.gz LADZZPAYFIBXII-AWEZNQCLSA-N 0 3 317.393 2.453 20 10 DECDHN CCN1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009678915 633825131 /nfs/dbraw/zinc/82/51/31/633825131.db2.gz ZTDPFDRATRRDRY-ZDUSSCGKSA-N 0 3 303.366 2.063 20 10 DECDHN C[C@H](NC[C@H]1C[NH2+]CCC1(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000925784811 635222742 /nfs/dbraw/zinc/22/27/42/635222742.db2.gz SKYCPMBMXVUNQZ-VHSXEESVSA-N 0 3 315.320 2.196 20 10 DECDHN COc1ccc(CN[C@@H](C)C(OC)OC)cc1Cn1cccn1 ZINC000922314130 636079754 /nfs/dbraw/zinc/07/97/54/636079754.db2.gz VEEZHQWYRGDLCA-ZDUSSCGKSA-N 0 3 319.405 2.037 20 10 DECDHN CCC[N@H+](CC)C[C@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000922547083 636225436 /nfs/dbraw/zinc/22/54/36/636225436.db2.gz LYEYSJZAFWHNEO-LBPRGKRZSA-N 0 3 311.401 2.451 20 10 DECDHN CCC[N@@H+](CC)C[C@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000922547083 636225441 /nfs/dbraw/zinc/22/54/41/636225441.db2.gz LYEYSJZAFWHNEO-LBPRGKRZSA-N 0 3 311.401 2.451 20 10 DECDHN COc1cc(Br)cc(C[NH2+][C@H]2C[C@H](CO)C2)c1[O-] ZINC000923008918 636909139 /nfs/dbraw/zinc/90/91/39/636909139.db2.gz ZPXFGLOGQBVPRW-JLIMDTESSA-N 0 3 316.195 2.024 20 10 DECDHN COc1ccc(CNCc2c3c(nn2C)CCSC3)c(O)c1 ZINC000894640503 637145073 /nfs/dbraw/zinc/14/50/73/637145073.db2.gz ZADSWPBGFWYTRZ-UHFFFAOYSA-N 0 3 319.430 2.213 20 10 DECDHN COc1ccc(C[NH2+]Cc2c3c(nn2C)CCSC3)c([O-])c1 ZINC000894640503 637145079 /nfs/dbraw/zinc/14/50/79/637145079.db2.gz ZADSWPBGFWYTRZ-UHFFFAOYSA-N 0 3 319.430 2.213 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)NCCCCF)N(C)C)cc1 ZINC000894996820 637369361 /nfs/dbraw/zinc/36/93/61/637369361.db2.gz ICYCLPYCTXEEJY-INIZCTEOSA-N 0 3 324.444 2.404 20 10 DECDHN CCOc1cccc(CNCc2n[nH]c(C(C)(C)C)n2)c1O ZINC000839168989 637807807 /nfs/dbraw/zinc/80/78/07/637807807.db2.gz FPFOLDDFCKMTDU-UHFFFAOYSA-N 0 3 304.394 2.496 20 10 DECDHN Cc1cc([O-])c(C[NH2+]CCCN2CCC(O)CC2)c(Cl)c1 ZINC000840885013 650371191 /nfs/dbraw/zinc/37/11/91/650371191.db2.gz SJWMZHIAIPDHLG-UHFFFAOYSA-N 0 3 312.841 2.290 20 10 DECDHN CNC(=O)[C@H](CCSC)NCc1ccc(N(C)C)cc1C ZINC000840945360 650392783 /nfs/dbraw/zinc/39/27/83/650392783.db2.gz LGEYCPQXFFAMGU-HNNXBMFYSA-N 0 3 309.479 2.018 20 10 DECDHN Oc1cc2c(cc1CN1C[C@H](O)C[C@H]1c1ccccc1)OCO2 ZINC000840956171 650394899 /nfs/dbraw/zinc/39/48/99/650394899.db2.gz KGOGOPZMVVOEDI-CABCVRRESA-N 0 3 313.353 2.429 20 10 DECDHN C/C=C/CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000896018497 638312960 /nfs/dbraw/zinc/31/29/60/638312960.db2.gz OOFSPBAFIGNRRD-MOEXGYKKSA-N 0 3 304.438 2.231 20 10 DECDHN C[C@@H](CNCc1ccc(N2CCCCC2)cc1)S(C)(=O)=O ZINC000754085701 639384491 /nfs/dbraw/zinc/38/44/91/639384491.db2.gz OMZIUFWBTCUBQO-AWEZNQCLSA-N 0 3 310.463 2.200 20 10 DECDHN O[C@@H](CNCc1ccc(N2CCOCC2)c(F)c1)c1ccco1 ZINC000304489623 639456943 /nfs/dbraw/zinc/45/69/43/639456943.db2.gz CTMCXRULFQEGAS-INIZCTEOSA-N 0 3 320.364 2.079 20 10 DECDHN COc1cc(C)cc(CN2CCCC[C@@H]2C2OCCO2)c1O ZINC000754732486 639466396 /nfs/dbraw/zinc/46/63/96/639466396.db2.gz NSPLXWSFXUQPDW-CQSZACIVSA-N 0 3 307.390 2.437 20 10 DECDHN CCOc1ccc(C[NH2+]CCCN2CCCO[C@H](C)C2)c([O-])c1 ZINC000762484812 640431450 /nfs/dbraw/zinc/43/14/50/640431450.db2.gz WJGDMSNNLCITHS-OAHLLOKOSA-N 0 3 322.449 2.381 20 10 DECDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000925313808 640811980 /nfs/dbraw/zinc/81/19/80/640811980.db2.gz PNVPMXDJSIVUEZ-WMLDXEAASA-N 0 3 318.465 2.377 20 10 DECDHN [O-]c1cc2c(cc1C[NH+]1CCc3ccccc3CC1)[C@@H](O)CO2 ZINC000768444715 641082391 /nfs/dbraw/zinc/08/23/91/641082391.db2.gz BPEMNSLYTCEUFY-SFHVURJKSA-N 0 3 311.381 2.419 20 10 DECDHN CN(c1cccc(C[NH2+]Cc2ccccc2[O-])c1)S(C)(=O)=O ZINC000898286127 641084817 /nfs/dbraw/zinc/08/48/17/641084817.db2.gz CEPVZVGMIXBIOH-UHFFFAOYSA-N 0 3 320.414 2.078 20 10 DECDHN COc1cccc(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)c1O ZINC000769381378 641229969 /nfs/dbraw/zinc/22/99/69/641229969.db2.gz OPJRBEZSVUHLGX-GXFFZTMASA-N 0 3 305.296 2.288 20 10 DECDHN CCOc1ccc(C[NH+]2CCC(CCC(N)=O)CC2)c([O-])c1 ZINC000769468732 641245939 /nfs/dbraw/zinc/24/59/39/641245939.db2.gz OXPWZYMBCRUNHL-UHFFFAOYSA-N 0 3 306.406 2.268 20 10 DECDHN C[C@@H]1C[C@H](NCCF)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000989838076 641246638 /nfs/dbraw/zinc/24/66/38/641246638.db2.gz JNYCHDVOOGNUOS-MFKMUULPSA-N 0 3 321.356 2.011 20 10 DECDHN COc1cccc([O-])c1C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000769508493 641252781 /nfs/dbraw/zinc/25/27/81/641252781.db2.gz QWPGPYUJXAGMEV-UHFFFAOYSA-N 0 3 318.417 2.378 20 10 DECDHN CCOc1ccc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c([O-])c1 ZINC000770752327 641416280 /nfs/dbraw/zinc/41/62/80/641416280.db2.gz MHVPCAMJTCQCRU-YOEHRIQHSA-N 0 3 307.390 2.219 20 10 DECDHN Cc1c[nH]c(CNC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000898447393 641665085 /nfs/dbraw/zinc/66/50/85/641665085.db2.gz JBTIPQGOOBXPAD-INIZCTEOSA-N 0 3 301.438 2.177 20 10 DECDHN CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000775382366 642036730 /nfs/dbraw/zinc/03/67/30/642036730.db2.gz VVMRTKOQZXBJHU-GOEBONIOSA-N 0 3 309.431 2.067 20 10 DECDHN C[C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)CN1C ZINC000775984946 642118902 /nfs/dbraw/zinc/11/89/02/642118902.db2.gz IPWFFVCXDDHMGK-GJZGRUSLSA-N 0 3 321.440 2.187 20 10 DECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCc2nnnn2C)c1[O-] ZINC000903348431 643322364 /nfs/dbraw/zinc/32/23/64/643322364.db2.gz CDPFIJGJADVDML-JTQLQIEISA-N 0 3 309.801 2.161 20 10 DECDHN COCCN(Cc1cc(Cl)cc(OC)c1O)[C@H]1CCOC1 ZINC000787335927 643483416 /nfs/dbraw/zinc/48/34/16/643483416.db2.gz VQQQTLFYWNDARZ-ZDUSSCGKSA-N 0 3 315.797 2.292 20 10 DECDHN COc1cc(C)cc(CN2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1O ZINC000790396410 643847402 /nfs/dbraw/zinc/84/74/02/643847402.db2.gz SFDSZVSFCGXKIE-PMUMKWKESA-N 0 3 321.417 2.478 20 10 DECDHN COCC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@@H]1CC[C@H](C)C1 ZINC000790481644 643858037 /nfs/dbraw/zinc/85/80/37/643858037.db2.gz YABNFBGRFXNXQQ-QEORTHHSSA-N 0 3 321.417 2.455 20 10 DECDHN COCC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@@H]1CC[C@H](C)C1 ZINC000790481644 643858039 /nfs/dbraw/zinc/85/80/39/643858039.db2.gz YABNFBGRFXNXQQ-QEORTHHSSA-N 0 3 321.417 2.455 20 10 DECDHN COc1cccc(O)c1CN1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000790932341 643910778 /nfs/dbraw/zinc/91/07/78/643910778.db2.gz NTNOEKDGGWOYCP-OGHNNQOOSA-N 0 3 307.390 2.169 20 10 DECDHN CN(C)c1ccc(CNCC2(S(C)(=O)=O)CCCC2)cc1 ZINC000796515385 644748270 /nfs/dbraw/zinc/74/82/70/644748270.db2.gz SQHQNUWORPPROB-UHFFFAOYSA-N 0 3 310.463 2.200 20 10 DECDHN COc1ccc(O)c([C@H](C)NCc2cnc(OC)nc2C)c1 ZINC000799154122 645134458 /nfs/dbraw/zinc/13/44/58/645134458.db2.gz BQAFENHLWHOOLM-NSHDSACASA-N 0 3 303.362 2.359 20 10 DECDHN COCCn1cc(CN[C@@H](C)c2cc(OC)ccc2O)cn1 ZINC000800495109 645280766 /nfs/dbraw/zinc/28/07/66/645280766.db2.gz KCIGVBJHUZSUNL-LBPRGKRZSA-N 0 3 305.378 2.095 20 10 DECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](O)c2cnn(C)c2)c1[O-] ZINC000808699342 646130095 /nfs/dbraw/zinc/13/00/95/646130095.db2.gz WYNNOPQSLCKLSP-IINYFYTJSA-N 0 3 309.797 2.472 20 10 DECDHN CN(C)c1ccc(CNC(=O)CN2CCC[C@@H](C3CC3)C2)cc1 ZINC000808778287 646140463 /nfs/dbraw/zinc/14/04/63/646140463.db2.gz QYUQQUAAYLWIRT-QGZVFWFLSA-N 0 3 315.461 2.491 20 10 DECDHN CNC(=O)[C@H](CCSC)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000809785388 646283718 /nfs/dbraw/zinc/28/37/18/646283718.db2.gz VUSJBSNKOXTKCR-LBPRGKRZSA-N 0 3 316.854 2.311 20 10 DECDHN COc1ccc(N2CCC(NC(=O)[C@@H](N)CC(C)C)CC2)cc1 ZINC000167241473 646551734 /nfs/dbraw/zinc/55/17/34/646551734.db2.gz HNNQKQIJYRVTBE-KRWDZBQOSA-N 0 3 319.449 2.154 20 10 DECDHN CCN(CC)C(=O)CNCc1cc(Cl)cc(OC)c1O ZINC000228672554 646636706 /nfs/dbraw/zinc/63/67/06/646636706.db2.gz JXALDUXZMWTUKF-UHFFFAOYSA-N 0 3 300.786 2.012 20 10 DECDHN [O-]c1ccc(Br)cc1CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000311211903 646811706 /nfs/dbraw/zinc/81/17/06/646811706.db2.gz LMRJEHXCWSADQF-GXFFZTMASA-N 0 3 311.223 2.339 20 10 DECDHN CC(=O)c1cc(F)cc(C[NH+]2CCC3(CC2)OCCCO3)c1[O-] ZINC000815156920 646981963 /nfs/dbraw/zinc/98/19/63/646981963.db2.gz UZIXMEUEYIMHIY-UHFFFAOYSA-N 0 3 323.364 2.463 20 10 DECDHN C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])CCN1CCO ZINC000816574840 647154269 /nfs/dbraw/zinc/15/42/69/647154269.db2.gz UEUSJNUBJQNJTO-CQSZACIVSA-N 0 3 300.402 2.044 20 10 DECDHN C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])CCN1CCO ZINC000816574840 647154271 /nfs/dbraw/zinc/15/42/71/647154271.db2.gz UEUSJNUBJQNJTO-CQSZACIVSA-N 0 3 300.402 2.044 20 10 DECDHN COc1ccc(O)c(CNCc2cnnn2-c2ccccc2)c1 ZINC000816618652 647159582 /nfs/dbraw/zinc/15/95/82/647159582.db2.gz DLYGTSWIKDYADD-UHFFFAOYSA-N 0 3 310.357 2.271 20 10 DECDHN C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@H](C)N1C ZINC000816653158 647163657 /nfs/dbraw/zinc/16/36/57/647163657.db2.gz IEPYHGXHUSFRSX-GASCZTMLSA-N 0 3 321.440 2.187 20 10 DECDHN C[C@@H]1CCN(CC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000816910949 647196503 /nfs/dbraw/zinc/19/65/03/647196503.db2.gz XISJXVKMWKSOMU-CQSZACIVSA-N 0 3 301.434 2.027 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](NC(C)=O)C3)c2c1 ZINC000817364381 647277222 /nfs/dbraw/zinc/27/72/22/647277222.db2.gz DNXQLVLNHJJXLP-CQSZACIVSA-N 0 3 314.385 2.264 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](NC(C)=O)C3)c2c1 ZINC000817364381 647277226 /nfs/dbraw/zinc/27/72/26/647277226.db2.gz DNXQLVLNHJJXLP-CQSZACIVSA-N 0 3 314.385 2.264 20 10 DECDHN CCOc1ccc(C[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)c([O-])c1 ZINC000817412121 647288348 /nfs/dbraw/zinc/28/83/48/647288348.db2.gz DFUZXRLPEQBPIN-JOCQHMNTSA-N 0 3 306.406 2.172 20 10 DECDHN CN(C)C(=O)CCN(Cc1ccco1)Cc1ccccc1O ZINC000731844892 647513341 /nfs/dbraw/zinc/51/33/41/647513341.db2.gz QIQZEPIUQLAUBA-UHFFFAOYSA-N 0 3 302.374 2.466 20 10 DECDHN COc1ccc(N2CC[C@H](CNc3cc(C)nc(N)n3)C2)cc1 ZINC000819934356 647743146 /nfs/dbraw/zinc/74/31/46/647743146.db2.gz FDBMRCNLRBVKFE-CYBMUJFWSA-N 0 3 313.405 2.314 20 10 DECDHN CN(C)c1ccc(CN2CC[C@H](CN3CCOC3=O)C2)cc1F ZINC000824451240 648591139 /nfs/dbraw/zinc/59/11/39/648591139.db2.gz POGYWFAFQVQNAH-AWEZNQCLSA-N 0 3 321.396 2.166 20 10 DECDHN CCNC(=O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000827006916 648959653 /nfs/dbraw/zinc/95/96/53/648959653.db2.gz XMNINSLKMZVCRF-UHFFFAOYSA-N 0 3 314.385 2.197 20 10 DECDHN CCNC(=O)CNCc1ccc(OCc2ccccc2)cc1O ZINC000827006916 648959659 /nfs/dbraw/zinc/95/96/59/648959659.db2.gz XMNINSLKMZVCRF-UHFFFAOYSA-N 0 3 314.385 2.197 20 10 DECDHN CCS(=O)(=O)C1(CNCc2ccc(N(C)C)cc2C)CC1 ZINC000827580076 649053145 /nfs/dbraw/zinc/05/31/45/649053145.db2.gz PLJCFKRFUMYFIW-UHFFFAOYSA-N 0 3 310.463 2.118 20 10 DECDHN CCS(=O)(=O)C1(C[NH2+]Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000827580712 649053276 /nfs/dbraw/zinc/05/32/76/649053276.db2.gz VMZJIWUCENMASV-UHFFFAOYSA-N 0 3 317.838 2.411 20 10 DECDHN CN(C)c1ccc(CN2CC[C@H](CN3CCCC3=O)C2)cc1F ZINC000827634075 649059990 /nfs/dbraw/zinc/05/99/90/649059990.db2.gz HPVGKLCVPHFQCN-HNNXBMFYSA-N 0 3 319.424 2.336 20 10 DECDHN C[C@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1cc(F)ccc1[O-] ZINC000185578320 649563065 /nfs/dbraw/zinc/56/30/65/649563065.db2.gz HUXYEQSQCQPWLI-NSHDSACASA-N 0 3 318.348 2.246 20 10 DECDHN Cc1cc(N(C)C)ccc1CNC(=O)C1(N)Cc2ccccc2C1 ZINC000844186758 651088303 /nfs/dbraw/zinc/08/83/03/651088303.db2.gz TUSWFISSPNEPIC-UHFFFAOYSA-N 0 3 323.440 2.174 20 10 DECDHN C[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848556903 651470460 /nfs/dbraw/zinc/47/04/60/651470460.db2.gz DBMRNURJUGAWDL-HGTKMLMNSA-N 0 3 304.434 2.467 20 10 DECDHN CN(C)c1ccc(/C=C\CNC[C@@H]2CN(C3CC3)C(=O)O2)cc1 ZINC000848576256 651473512 /nfs/dbraw/zinc/47/35/12/651473512.db2.gz LFQLUIVTWHGVMA-CWIOURORSA-N 0 3 315.417 2.339 20 10 DECDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCc3c(nnn3C)C2)c1[O-] ZINC000848926758 651564878 /nfs/dbraw/zinc/56/48/78/651564878.db2.gz YGBIHMAABRMYPT-GFCCVEGCSA-N 0 3 306.797 2.130 20 10 DECDHN COc1ccc(N2CCC(NCc3nc(C)c[nH]3)CC2)cc1 ZINC000850115637 651833496 /nfs/dbraw/zinc/83/34/96/651833496.db2.gz JDHWTOKDELWERO-UHFFFAOYSA-N 0 3 300.406 2.485 20 10 DECDHN CCOc1ccc(C[NH2+][C@H](CO)[C@H]2CCC[C@@H](OC)C2)c([O-])c1 ZINC000850353961 651908953 /nfs/dbraw/zinc/90/89/53/651908953.db2.gz QYOZQTABVXTUHU-YSVLISHTSA-N 0 3 323.433 2.447 20 10 DECDHN CS(=O)(=O)CC1(CC[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000850485883 651937726 /nfs/dbraw/zinc/93/77/26/651937726.db2.gz OQFWPBDDQLYHCG-CYBMUJFWSA-N 0 3 309.431 2.184 20 10 DECDHN CC(C)COC[C@@H](O)CNCc1cc(F)c(N(C)C)cc1F ZINC000858106722 652256073 /nfs/dbraw/zinc/25/60/73/652256073.db2.gz PQZVSYPAXWOGQL-ZDUSSCGKSA-N 0 3 316.392 2.154 20 10 DECDHN CN(C)c1cc(F)c(CNCCNc2cnccn2)cc1F ZINC000858149998 652267154 /nfs/dbraw/zinc/26/71/54/652267154.db2.gz CIUINHXRZTYWDY-UHFFFAOYSA-N 0 3 307.348 2.023 20 10 DECDHN COc1cccc(O)c1CNC[C@H](n1cccn1)C(F)(F)F ZINC000858209837 652279503 /nfs/dbraw/zinc/27/95/03/652279503.db2.gz WCPVLUIJQOGCFT-ZDUSSCGKSA-N 0 3 315.295 2.491 20 10 DECDHN COc1ccc(CN[C@@H]2CCO[C@@H]2c2nc(C)no2)cc1C ZINC000858327619 652307605 /nfs/dbraw/zinc/30/76/05/652307605.db2.gz VKUZGRLIMCJKPT-HIFRSBDPSA-N 0 3 303.362 2.315 20 10 DECDHN OCc1cc(NCc2ccc(N3CCOCC3)c(F)c2)ccn1 ZINC000858353947 652315616 /nfs/dbraw/zinc/31/56/16/652315616.db2.gz FHIUGFDXLHTJDI-UHFFFAOYSA-N 0 3 317.364 2.162 20 10 DECDHN COc1ccc(CNC(=O)NC[C@@H]2CCN2C(C)(C)C)c(O)c1 ZINC000852412938 652397941 /nfs/dbraw/zinc/39/79/41/652397941.db2.gz MAAFHVMXRBGSEQ-ZDUSSCGKSA-N 0 3 321.421 2.073 20 10 DECDHN CCN1C[C@@H](NCc2ccc(N3CCCCC3)cc2)CC1=O ZINC000391576233 685446636 /nfs/dbraw/zinc/44/66/36/685446636.db2.gz YPCAOCJZABGSTM-INIZCTEOSA-N 0 3 301.434 2.387 20 10 DECDHN CON(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000858580010 685560688 /nfs/dbraw/zinc/56/06/88/685560688.db2.gz JFKFBUAURTVNDU-ZJUUUORDSA-N 0 3 300.786 2.413 20 10 DECDHN Cc1noc([C@H]2OCC[C@H]2[NH2+][C@H](C)c2cc(F)ccc2[O-])n1 ZINC000858591723 685564896 /nfs/dbraw/zinc/56/48/96/685564896.db2.gz IFIYDTMVFBVPIB-RGZBUGHASA-N 0 3 307.325 2.404 20 10 DECDHN Cc1cc(C(=O)N[C@H]2CCN(C)[C@@H]2C)c(C)n1-c1ccccn1 ZINC000928457446 693785840 /nfs/dbraw/zinc/78/58/40/693785840.db2.gz XEXWXBXWFBACIS-ZBFHGGJFSA-N 0 3 312.417 2.312 20 10 DECDHN [O-]c1ccc(Cl)cc1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000119521395 684082704 /nfs/dbraw/zinc/08/27/04/684082704.db2.gz MVTKHOSPQAYZPJ-UHFFFAOYSA-N 0 3 323.868 2.259 20 10 DECDHN CC[C@@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1ccccc1[O-] ZINC000121095312 684105612 /nfs/dbraw/zinc/10/56/12/684105612.db2.gz JJMLQWNHWKYDRC-MRXNPFEDSA-N 0 3 314.385 2.497 20 10 DECDHN C[C@]1(O)CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000129487456 684179988 /nfs/dbraw/zinc/17/99/88/684179988.db2.gz UZKIVOOFQKRCFD-KRWDZBQOSA-N 0 3 308.397 2.009 20 10 DECDHN CCOC(=O)/C=C/CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000929185651 693912998 /nfs/dbraw/zinc/91/29/98/693912998.db2.gz QNOKZCRLJPODAO-SNAWJCMRSA-N 0 3 318.417 2.074 20 10 DECDHN CN(C)c1ccc(/C=C\CN(C)[C@H]2CCC(=O)N(C)C2)cc1 ZINC000862428441 686301261 /nfs/dbraw/zinc/30/12/61/686301261.db2.gz QIFZNLHKTRUULL-OSJSJHBBSA-N 0 3 301.434 2.318 20 10 DECDHN COC(=O)[C@]1(OC)CCN(C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000862475815 686308305 /nfs/dbraw/zinc/30/83/05/686308305.db2.gz YCAZKSIKERRUFB-XFHJGTJQSA-N 0 3 318.417 2.030 20 10 DECDHN CCOc1ccc(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)c([O-])c1 ZINC000865780635 687332137 /nfs/dbraw/zinc/33/21/37/687332137.db2.gz ONDZFTZMFXOYIR-MRXNPFEDSA-N 0 3 321.417 2.466 20 10 DECDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874825553 689500512 /nfs/dbraw/zinc/50/05/12/689500512.db2.gz PZVJXPLQDXNALI-UONOGXRCSA-N 0 3 315.377 2.158 20 10 DECDHN Cc1ccc(C[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)c([O-])c1 ZINC000876935588 689976833 /nfs/dbraw/zinc/97/68/33/689976833.db2.gz CFCXPINNTTYCLW-UHFFFAOYSA-N 0 3 320.414 2.362 20 10 DECDHN Cc1cccc([O-])c1C[NH2+]CCn1cc(Br)cn1 ZINC000877520136 690139014 /nfs/dbraw/zinc/13/90/14/690139014.db2.gz ZWTMULOXCMOGDC-UHFFFAOYSA-N 0 3 310.195 2.449 20 10 DECDHN OC1CCN(c2ccc(CN3CC4(C3)CCOCC4)cc2)CC1 ZINC000877581157 690158307 /nfs/dbraw/zinc/15/83/07/690158307.db2.gz OKGYUEVYRZAABS-UHFFFAOYSA-N 0 3 316.445 2.260 20 10 DECDHN Cc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c([O-])c1 ZINC000877656306 690181291 /nfs/dbraw/zinc/18/12/91/690181291.db2.gz DMVQNWIVPRFBOF-PBHICJAKSA-N 0 3 300.358 2.421 20 10 DECDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccccn2)c1 ZINC000878360310 690388086 /nfs/dbraw/zinc/38/80/86/690388086.db2.gz KCEJYOXQFOYRAM-NSHDSACASA-N 0 3 301.346 2.085 20 10 DECDHN COCC[C@@H](C)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879461624 690646585 /nfs/dbraw/zinc/64/65/85/690646585.db2.gz GUGHSJJPOMRAQV-CQSZACIVSA-N 0 3 308.422 2.251 20 10 DECDHN C[C@H]([NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000879650730 690699453 /nfs/dbraw/zinc/69/94/53/690699453.db2.gz PQUCZLGDNXZEDL-SJCJKPOMSA-N 0 3 324.421 2.319 20 10 DECDHN CCCCN1CC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039059303 691006260 /nfs/dbraw/zinc/00/62/60/691006260.db2.gz FVAJFRJWOHPBJQ-CQSZACIVSA-N 0 3 317.393 2.453 20 10 DECDHN COc1ccc(O)c(CNCc2c3c(nn2C)CCSC3)c1 ZINC000883000295 691407052 /nfs/dbraw/zinc/40/70/52/691407052.db2.gz WBJWRIXJWRJZGD-UHFFFAOYSA-N 0 3 319.430 2.213 20 10 DECDHN CCN(C)c1ccc([C@H](C)N[C@H]2C[C@H](S(C)(=O)=O)C2)cc1 ZINC000883374145 691492525 /nfs/dbraw/zinc/49/25/25/691492525.db2.gz READEELJXMHLOA-NOLJZWGESA-N 0 3 310.463 2.369 20 10 DECDHN COc1ccc(N(C)CCN(C)C[C@@](C)(O)C(F)F)cc1 ZINC000886267009 692039966 /nfs/dbraw/zinc/03/99/66/692039966.db2.gz CZYZWNKMYGQDBT-OAHLLOKOSA-N 0 3 302.365 2.079 20 10 DECDHN CCn1cc([C@H](C)NCc2ccc(OC)c(OC)c2O)cn1 ZINC000894764819 692987755 /nfs/dbraw/zinc/98/77/55/692987755.db2.gz VRFCZXWZDKGMKD-NSHDSACASA-N 0 3 305.378 2.477 20 10 DECDHN CC[C@@H](C)C[C@H](N)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001343446054 1150742687 /nfs/dbraw/zinc/74/26/87/1150742687.db2.gz ZEHAQHOBGICHIF-OCCSQVGLSA-N 0 3 305.422 2.242 20 10 DECDHN CCCN1CC[C@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994340 784294457 /nfs/dbraw/zinc/29/44/57/784294457.db2.gz JFIDLQMQJUJLOK-AWEZNQCLSA-N 0 3 317.393 2.405 20 10 DECDHN CCc1cc(CNCc2ccc(N3CCN(C)CC3)cc2)on1 ZINC001177913020 794774227 /nfs/dbraw/zinc/77/42/27/794774227.db2.gz UBJNCIZBYNZBGF-UHFFFAOYSA-N 0 3 314.433 2.279 20 10 DECDHN COC(=O)/C=C/c1ccc(CNCc2cccc(OC)c2O)o1 ZINC001181485869 795485022 /nfs/dbraw/zinc/48/50/22/795485022.db2.gz KUMAUBVZRZMMKY-CMDGGOBGSA-N 0 3 317.341 2.470 20 10 DECDHN [O-]c1cc(Cl)ccc1CN1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001140464375 796526197 /nfs/dbraw/zinc/52/61/97/796526197.db2.gz NAPAWZNACIDXLR-HNNXBMFYSA-N 0 3 310.825 2.342 20 10 DECDHN OC[C@@H]1CCCCN1Cc1ccc(N2CCOCC2)cc1F ZINC001140662464 796553407 /nfs/dbraw/zinc/55/34/07/796553407.db2.gz VOIPENFLRSMUIA-INIZCTEOSA-N 0 3 308.397 2.009 20 10 DECDHN CCN1CCN(Cc2ccc(N3CCOCC3)cc2F)C[C@H]1C ZINC001140667583 796554338 /nfs/dbraw/zinc/55/43/38/796554338.db2.gz YQXFIBRCURTPNL-OAHLLOKOSA-N 0 3 321.440 2.188 20 10 DECDHN Cc1c(O)ccc(CN2CCC[C@@H](NC(=O)C(C)C)C2)c1O ZINC001140750264 796567463 /nfs/dbraw/zinc/56/74/63/796567463.db2.gz ZOIBHPIOYFIMRP-CQSZACIVSA-N 0 3 306.406 2.143 20 10 DECDHN Cc1ccc(C[NH+]2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)c([O-])c1 ZINC001140949459 796605161 /nfs/dbraw/zinc/60/51/61/796605161.db2.gz CIMIDAZCLHJMIL-HZPDHXFCSA-N 0 3 310.401 2.059 20 10 DECDHN Cc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)N(C)C)CC2)c([O-])c1 ZINC001140949919 796606193 /nfs/dbraw/zinc/60/61/93/796606193.db2.gz KMFFZLBGNKZAJW-HNNXBMFYSA-N 0 3 302.418 2.391 20 10 DECDHN COC(=O)[C@H]1CN(Cc2cccc(C(C)(C)C)c2O)CCCO1 ZINC001143117237 796803717 /nfs/dbraw/zinc/80/37/17/796803717.db2.gz ZAYLWYBYROOVAH-OAHLLOKOSA-N 0 3 321.417 2.454 20 10 DECDHN CCCCNC(=O)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001190641156 797047377 /nfs/dbraw/zinc/04/73/77/797047377.db2.gz WBMOAFOHRDDOLS-UHFFFAOYSA-N 0 3 305.422 2.456 20 10 DECDHN Oc1cccc2c1CN(C(=S)NCCN1CCCCC1)CC2 ZINC001200430961 798636642 /nfs/dbraw/zinc/63/66/42/798636642.db2.gz RKFUCNQBXGQFSU-UHFFFAOYSA-N 0 3 319.474 2.111 20 10 DECDHN Cc1c2ccccc2n(C)c1CNC1CN(c2ccncn2)C1 ZINC001203434261 800047516 /nfs/dbraw/zinc/04/75/16/800047516.db2.gz PSFZZNNSJMYYAM-UHFFFAOYSA-N 0 3 307.401 2.255 20 10 DECDHN O=C1N(c2cccnc2)CC[C@@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001203552056 800078911 /nfs/dbraw/zinc/07/89/11/800078911.db2.gz YPYMIGVHZDOTHM-LJQANCHMSA-N 0 3 323.396 2.416 20 10 DECDHN O=C1N(c2cccnc2)CC[C@@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001203552056 800078921 /nfs/dbraw/zinc/07/89/21/800078921.db2.gz YPYMIGVHZDOTHM-LJQANCHMSA-N 0 3 323.396 2.416 20 10 DECDHN O=C(c1ccco1)N1C[C@@H]2C[N@H+](Cc3ccccc3[O-])C[C@@H]2C1 ZINC001203552919 800079300 /nfs/dbraw/zinc/07/93/00/800079300.db2.gz VKMWMRSSICYDHF-GASCZTMLSA-N 0 3 312.369 2.189 20 10 DECDHN O=C(c1ccco1)N1C[C@@H]2C[N@@H+](Cc3ccccc3[O-])C[C@@H]2C1 ZINC001203552919 800079307 /nfs/dbraw/zinc/07/93/07/800079307.db2.gz VKMWMRSSICYDHF-GASCZTMLSA-N 0 3 312.369 2.189 20 10 DECDHN CC[C@H]1[N@H+](Cc2ccc(O)cc2[O-])CCC[C@]12CCC(=O)N2 ZINC001204273751 800197976 /nfs/dbraw/zinc/19/79/76/800197976.db2.gz GZBVGCRARJEYEH-WBVHZDCISA-N 0 3 304.390 2.121 20 10 DECDHN CC[C@H]1[N@@H+](Cc2ccc(O)cc2[O-])CCC[C@]12CCC(=O)N2 ZINC001204273751 800197978 /nfs/dbraw/zinc/19/79/78/800197978.db2.gz GZBVGCRARJEYEH-WBVHZDCISA-N 0 3 304.390 2.121 20 10 DECDHN OC[C@@H]1[C@H](C(F)(F)F)CCCN1Cc1ccc(O)cc1O ZINC001204277289 800199561 /nfs/dbraw/zinc/19/95/61/800199561.db2.gz XXWRUVLZHUMZHK-VXGBXAGGSA-N 0 3 305.296 2.233 20 10 DECDHN COc1cc(N(C)C)ccc1CN1CCC(n2cnnc2)CC1 ZINC001231854161 801738693 /nfs/dbraw/zinc/73/86/93/801738693.db2.gz AIZHOGOUGUSWDY-UHFFFAOYSA-N 0 3 315.421 2.190 20 10 DECDHN COc1cc(N(C)C)ccc1CN1CCC(N(C)C(C)=O)CC1 ZINC001231855591 801739247 /nfs/dbraw/zinc/73/92/47/801739247.db2.gz WPFJGIVHTCSBSB-UHFFFAOYSA-N 0 3 319.449 2.204 20 10 DECDHN COc1cc(N(C)C)ccc1CN1CC[C@H](c2nc(C)no2)C1 ZINC001231854268 801739335 /nfs/dbraw/zinc/73/93/35/801739335.db2.gz DOVFOUAJROPFAA-AWEZNQCLSA-N 0 3 316.405 2.442 20 10 DECDHN CN(C)c1ccc(CN2CCN(c3cccnc3)CC2)c(O)c1 ZINC001232835390 801967328 /nfs/dbraw/zinc/96/73/28/801967328.db2.gz BOFGNMWCDOZVPO-UHFFFAOYSA-N 0 3 312.417 2.175 20 10 DECDHN COC(=O)c1c(CNC[C@H](O)C(C)C)c2cc(F)ccc2n1C ZINC001331531845 1149512613 /nfs/dbraw/zinc/51/26/13/1149512613.db2.gz DTZAZJBIIDBONH-HNNXBMFYSA-N 0 3 322.380 2.211 20 10 DECDHN Cc1ccc(C[N@@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)c([O-])c1 ZINC001331549151 1149527523 /nfs/dbraw/zinc/52/75/23/1149527523.db2.gz QENIIBNJNKVDRU-IBGZPJMESA-N 0 3 310.397 2.330 20 10 DECDHN Cc1ccc(C[N@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)c([O-])c1 ZINC001331549151 1149527524 /nfs/dbraw/zinc/52/75/24/1149527524.db2.gz QENIIBNJNKVDRU-IBGZPJMESA-N 0 3 310.397 2.330 20 10 DECDHN CCC[C@@H](C)C(=O)NCC[NH2+]Cc1c(C)cc(OC)cc1[O-] ZINC001462260633 1058791224 /nfs/dbraw/zinc/79/12/24/1058791224.db2.gz CJLFXBRXZZCIHO-GFCCVEGCSA-N 0 3 308.422 2.351 20 10 DECDHN Cn1c(=O)oc2ccc(C[NH2+]Cc3cc(F)ccc3[O-])cc21 ZINC001462491444 1058839732 /nfs/dbraw/zinc/83/97/32/1058839732.db2.gz OAGQFDIORCKGOL-UHFFFAOYSA-N 0 3 302.305 2.266 20 10 DECDHN CC[C@H](F)CN[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001266996391 1078487785 /nfs/dbraw/zinc/48/77/85/1078487785.db2.gz OXYBUNKWYZISMJ-PWSUYJOCSA-N 0 3 323.372 2.305 20 10 DECDHN O=C1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])CN1c1ccccc1 ZINC001659447281 1080240782 /nfs/dbraw/zinc/24/07/82/1080240782.db2.gz UJOIGXFGMSYDTJ-CQSZACIVSA-N 0 3 300.333 2.426 20 10 DECDHN Cc1cc([O-])c(C[NH2+][C@@H](C)[C@H]2CN(C)CCN2C)cc1Cl ZINC001660047244 1080259991 /nfs/dbraw/zinc/25/99/91/1080259991.db2.gz HMOWUXZTAPESSE-SWLSCSKDSA-N 0 3 311.857 2.078 20 10 DECDHN C[N@@H+]1C[C@H]2C[C@@H](C1)N(Cc1cc(Br)ccc1[O-])C2 ZINC001275276383 1091648234 /nfs/dbraw/zinc/64/82/34/1091648234.db2.gz WXZPTXLQAQTVBW-MFKMUULPSA-N 0 3 311.223 2.291 20 10 DECDHN C[N@H+]1C[C@H]2C[C@@H](C1)N(Cc1cc(Br)ccc1[O-])C2 ZINC001275276383 1091648237 /nfs/dbraw/zinc/64/82/37/1091648237.db2.gz WXZPTXLQAQTVBW-MFKMUULPSA-N 0 3 311.223 2.291 20 10 DECDHN CC(C)NC(=O)N1CC2(C1)CCC[N@H+](Cc1ccccc1[O-])C2 ZINC001275267334 1091645197 /nfs/dbraw/zinc/64/51/97/1091645197.db2.gz LTXBPKJSKNAZOB-UHFFFAOYSA-N 0 3 317.433 2.408 20 10 DECDHN CC(C)NC(=O)N1CC2(C1)CCC[N@@H+](Cc1ccccc1[O-])C2 ZINC001275267334 1091645199 /nfs/dbraw/zinc/64/51/99/1091645199.db2.gz LTXBPKJSKNAZOB-UHFFFAOYSA-N 0 3 317.433 2.408 20 10 DECDHN COc1cc(O)c(CN2CC[C@@H]3CCCO[C@@H]3C2)cc1OC ZINC001236750126 1138408224 /nfs/dbraw/zinc/40/82/24/1138408224.db2.gz OUWHYSFCIDAEKB-YVEFUNNKSA-N 0 3 307.390 2.410 20 10 DECDHN COc1cc(C[N@H+](C)[C@@H]2CCOC2)c([O-])cc1Br ZINC001236753234 1138409347 /nfs/dbraw/zinc/40/93/47/1138409347.db2.gz KXMSGDOQRXXNCP-SNVBAGLBSA-N 0 3 316.195 2.384 20 10 DECDHN COc1cc(C[N@@H+](C)[C@@H]2CCOC2)c([O-])cc1Br ZINC001236753234 1138409360 /nfs/dbraw/zinc/40/93/60/1138409360.db2.gz KXMSGDOQRXXNCP-SNVBAGLBSA-N 0 3 316.195 2.384 20 10 DECDHN COc1cc(C)c(C[NH+]2CCC3(CCCC(=O)N3)CC2)c([O-])c1 ZINC001236812118 1138436930 /nfs/dbraw/zinc/43/69/30/1138436930.db2.gz WETZPRIRQSXFPV-UHFFFAOYSA-N 0 3 318.417 2.344 20 10 DECDHN OC[C@@H]1CCCN1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236920986 1138457067 /nfs/dbraw/zinc/45/70/67/1138457067.db2.gz BNGVJVDUUCKAKR-HNNXBMFYSA-N 0 3 310.825 2.133 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)N(C)C)C2)c([O-])c1 ZINC001237041135 1138486119 /nfs/dbraw/zinc/48/61/19/1138486119.db2.gz GIDCTXIHKVBLMQ-AWEZNQCLSA-N 0 3 306.406 2.091 20 10 DECDHN CCOc1ccc(C[N@H+]2CCC[C@H](C(=O)N(C)C)C2)c([O-])c1 ZINC001237041135 1138486123 /nfs/dbraw/zinc/48/61/23/1138486123.db2.gz GIDCTXIHKVBLMQ-AWEZNQCLSA-N 0 3 306.406 2.091 20 10 DECDHN Cc1cccc([O-])c1C[NH+]1C[C@@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001237486891 1138654191 /nfs/dbraw/zinc/65/41/91/1138654191.db2.gz VFKMUWGQQIGLOM-HUUCEWRRSA-N 0 3 310.401 2.059 20 10 DECDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@](C)(O)C2)cc1Br ZINC001237678432 1138752993 /nfs/dbraw/zinc/75/29/93/1138752993.db2.gz YZWPYVRHTADOHG-CYBMUJFWSA-N 0 3 300.196 2.420 20 10 DECDHN Cc1cc([O-])c(C[N@H+]2CC[C@@](C)(O)C2)cc1Br ZINC001237678432 1138753001 /nfs/dbraw/zinc/75/30/01/1138753001.db2.gz YZWPYVRHTADOHG-CYBMUJFWSA-N 0 3 300.196 2.420 20 10 DECDHN COc1cc(CN2CCN(C(C)C)[C@@H](C)C2)c(O)c(OC)c1 ZINC001237686181 1138758016 /nfs/dbraw/zinc/75/80/16/1138758016.db2.gz XYEUGVDZAAWYPD-ZDUSSCGKSA-N 0 3 308.422 2.324 20 10 DECDHN Cc1cc(Cl)cc(C[NH+]2CCC3(CNC(=O)O3)CC2)c1[O-] ZINC001237687264 1138758457 /nfs/dbraw/zinc/75/84/57/1138758457.db2.gz WHRDKNAAYRENMV-UHFFFAOYSA-N 0 3 310.781 2.428 20 10 DECDHN CN(C)C(=O)OCCN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001320359953 1140854982 /nfs/dbraw/zinc/85/49/82/1140854982.db2.gz ZBNCRNCGQIMKKT-UHFFFAOYSA-N 0 3 305.422 2.415 20 10 DECDHN CN1CCN(c2ccc(CN3CCSCC3)cc2F)CC1 ZINC001320475859 1140870489 /nfs/dbraw/zinc/87/04/89/1140870489.db2.gz QAIGPDGPFWJJEL-UHFFFAOYSA-N 0 3 309.454 2.126 20 10 DECDHN Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]3CNCCN3)n2)cc1 ZINC001247715978 1141460214 /nfs/dbraw/zinc/46/02/14/1141460214.db2.gz HRMYQFJOPQORCL-INIZCTEOSA-N 0 3 323.400 2.378 20 10 DECDHN CCOc1ccc(N2CCN(CCn3ccnc3)CC2)cc1 ZINC001323207370 1141827198 /nfs/dbraw/zinc/82/71/98/1141827198.db2.gz SZGCAWHETHKTTH-UHFFFAOYSA-N 0 3 300.406 2.104 20 10 DECDHN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccc(N2CCCC2)cc1 ZINC001338769020 1142877183 /nfs/dbraw/zinc/87/71/83/1142877183.db2.gz HMBNDMDXWNOPHG-NXHRZFHOSA-N 0 3 313.445 2.373 20 10 DECDHN CN(C)c1ccc(CN2CCC([C@H](O)c3ncc[nH]3)CC2)cc1 ZINC000375690407 529780407 /nfs/dbraw/zinc/78/04/07/529780407.db2.gz HDJWQZLHWNHECB-KRWDZBQOSA-N 0 3 314.433 2.421 20 10 DECDHN C[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1C ZINC000076111471 355127266 /nfs/dbraw/zinc/12/72/66/355127266.db2.gz CZUANBKTYVDYEG-HUUCEWRRSA-N 0 3 303.450 2.299 20 10 DECDHN CCCOc1ccc(CN(C)CCNC(=O)C(C)C)c(O)c1 ZINC000092104263 193159520 /nfs/dbraw/zinc/15/95/20/193159520.db2.gz KTWKKARXWRYTCR-UHFFFAOYSA-N 0 3 308.422 2.385 20 10 DECDHN COc1ccc(CNCc2cc(OC)c(OC)cc2O)cc1O ZINC000271859828 129974254 /nfs/dbraw/zinc/97/42/54/129974254.db2.gz KBBYHTFRSZYPMI-UHFFFAOYSA-N 0 3 319.357 2.413 20 10 DECDHN Cc1ccc([C@H](C)[NH2+]CCCN2CCN(C)CC2)c([O-])c1C ZINC000273424065 130118616 /nfs/dbraw/zinc/11/86/16/130118616.db2.gz SRNJWDXPSYOXTH-INIZCTEOSA-N 0 3 305.466 2.297 20 10 DECDHN CC[C@@H]([NH2+]CC1(OCCO)CCOCC1)c1ccc(C)cc1[O-] ZINC000282473076 130923872 /nfs/dbraw/zinc/92/38/72/130923872.db2.gz GQCABHMOXJEHNC-MRXNPFEDSA-N 0 3 323.433 2.299 20 10 DECDHN O=C(N1CCCC1)N1CCC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000285420326 131166738 /nfs/dbraw/zinc/16/67/38/131166738.db2.gz GPLQKLAROFSPNL-HNNXBMFYSA-N 0 3 303.406 2.162 20 10 DECDHN CCOc1ccc(O)c(CN[C@H](C)C(=O)NCc2ccco2)c1 ZINC000111398911 401714505 /nfs/dbraw/zinc/71/45/05/401714505.db2.gz COMZTJKRJXZAKB-GFCCVEGCSA-N 0 3 318.373 2.178 20 10 DECDHN C[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C[C@@H]1n1ccnc1 ZINC000121707235 402049771 /nfs/dbraw/zinc/04/97/71/402049771.db2.gz QSVCFCBOYXSXPM-JSGCOSHPSA-N 0 3 315.373 2.401 20 10 DECDHN C[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C[C@@H]1n1ccnc1 ZINC000121707235 402049775 /nfs/dbraw/zinc/04/97/75/402049775.db2.gz QSVCFCBOYXSXPM-JSGCOSHPSA-N 0 3 315.373 2.401 20 10 DECDHN COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(C)cc1[O-])CC2 ZINC000186103219 402401898 /nfs/dbraw/zinc/40/18/98/402401898.db2.gz KCRIIOFTVVVEBZ-QWHCGFSZSA-N 0 3 316.405 2.104 20 10 DECDHN COCCC(=O)N1CCC([NH2+][C@@H](C)c2cc(C)ccc2[O-])CC1 ZINC000186127991 402403709 /nfs/dbraw/zinc/40/37/09/402403709.db2.gz FNEUDZOTPXCKBA-AWEZNQCLSA-N 0 3 320.433 2.379 20 10 DECDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2COC3(CCOCC3)O2)c([O-])c1 ZINC000186375631 402426237 /nfs/dbraw/zinc/42/62/37/402426237.db2.gz PFVNZPFDYRRECQ-KGLIPLIRSA-N 0 3 307.390 2.273 20 10 DECDHN C[C@@H]1[C@@H](C)CCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000177880604 402442162 /nfs/dbraw/zinc/44/21/62/402442162.db2.gz PAVCMGJZHXCCBV-LSDHHAIUSA-N 0 3 303.450 2.441 20 10 DECDHN C[C@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000186585578 402444402 /nfs/dbraw/zinc/44/44/02/402444402.db2.gz PEUMHQKIXLCUGJ-KGLIPLIRSA-N 0 3 309.429 2.208 20 10 DECDHN CCCOc1ccc(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)c(O)c1 ZINC000245699971 402480834 /nfs/dbraw/zinc/48/08/34/402480834.db2.gz CWHLQFMQHFXNSS-LSDHHAIUSA-N 0 3 322.449 2.068 20 10 DECDHN CCCOc1ccc(CN2CCCN(C(C)=O)CC2)c(O)c1 ZINC000179947514 402604473 /nfs/dbraw/zinc/60/44/73/402604473.db2.gz GLRFTNWMBHRWFL-UHFFFAOYSA-N 0 3 306.406 2.235 20 10 DECDHN CCOC1CC(O)(C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000278808687 402873240 /nfs/dbraw/zinc/87/32/40/402873240.db2.gz YLKZCMUJWJJHTB-UHFFFAOYSA-N 0 3 315.797 2.074 20 10 DECDHN COc1cccc(CN2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1O ZINC000280565715 403013398 /nfs/dbraw/zinc/01/33/98/403013398.db2.gz VIZFMDFZFYYISG-AHIWAGSCSA-N 0 3 307.390 2.169 20 10 DECDHN CCOC[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)C(C)C ZINC000285703574 403361437 /nfs/dbraw/zinc/36/14/37/403361437.db2.gz CVDXPHDKYDHPCS-KRWDZBQOSA-N 0 3 321.465 2.020 20 10 DECDHN COc1ccc([O-])c(C[NH2+]C2(C(=O)N(C)C)CCCCC2)c1 ZINC000294687746 403724613 /nfs/dbraw/zinc/72/46/13/403724613.db2.gz AIHMXSLHTXSSID-UHFFFAOYSA-N 0 3 306.406 2.282 20 10 DECDHN COc1ccc(O)c(CNC2(C(=O)N(C)C)CCCCC2)c1 ZINC000294687746 403724615 /nfs/dbraw/zinc/72/46/15/403724615.db2.gz AIHMXSLHTXSSID-UHFFFAOYSA-N 0 3 306.406 2.282 20 10 DECDHN CCCOc1ccc(C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c([O-])c1 ZINC000295195671 403792656 /nfs/dbraw/zinc/79/26/56/403792656.db2.gz XWAOOUWYGQUGAC-AEFFLSMTSA-N 0 3 320.433 2.086 20 10 DECDHN CCCOc1ccc(C[N@@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c([O-])c1 ZINC000295195671 403792660 /nfs/dbraw/zinc/79/26/60/403792660.db2.gz XWAOOUWYGQUGAC-AEFFLSMTSA-N 0 3 320.433 2.086 20 10 DECDHN CN(C)CCC[NH+](CCCN(C)C)Cc1cccc(F)c1[O-] ZINC000289684211 403993278 /nfs/dbraw/zinc/99/32/78/403993278.db2.gz FDXWMYRYHAWFPN-UHFFFAOYSA-N 0 3 311.445 2.237 20 10 DECDHN CN(CCN1CCNC1=O)Cc1ccc(N2CCCCC2)cc1 ZINC000290423685 404163006 /nfs/dbraw/zinc/16/30/06/404163006.db2.gz UVWHDISQJZLCBP-UHFFFAOYSA-N 0 3 316.449 2.134 20 10 DECDHN COc1cccc(CN2CCCN(CC(F)F)CC2)c1O ZINC000290525536 404205434 /nfs/dbraw/zinc/20/54/34/404205434.db2.gz QHBCMBSSWRXORT-UHFFFAOYSA-N 0 3 300.349 2.174 20 10 DECDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c1 ZINC000363869454 404232022 /nfs/dbraw/zinc/23/20/22/404232022.db2.gz RBUKLGVQPOSYPQ-KGLIPLIRSA-N 0 3 300.406 2.364 20 10 DECDHN COCCOCCOCCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296579707 404309973 /nfs/dbraw/zinc/30/99/73/404309973.db2.gz VWEKGVFNAWCJIQ-HNNXBMFYSA-N 0 3 309.406 2.039 20 10 DECDHN c1cnn([C@@H]2CCN(Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000365829839 404727521 /nfs/dbraw/zinc/72/75/21/404727521.db2.gz CXVSVMKWTOKVTR-GOSISDBHSA-N 0 3 312.417 2.167 20 10 DECDHN CCOc1ccc(O)c(CN[C@@H]2Cc3ccccc3NC2=O)c1 ZINC000527801214 337764882 /nfs/dbraw/zinc/76/48/82/337764882.db2.gz RDEITZXECNKVRK-MRXNPFEDSA-N 0 3 312.369 2.444 20 10 DECDHN CCOc1ccc(O)c(CN2CC[C@H](C(=O)OC)[C@H](C)C2)c1 ZINC000188120911 521149369 /nfs/dbraw/zinc/14/93/69/521149369.db2.gz UELUDJIGTJYSCI-DOMZBBRYSA-N 0 3 307.390 2.422 20 10 DECDHN COc1cc([O-])c(C[N@H+](C[C@H]2CCOC2)C2CC2)cc1OC ZINC000159830893 522771671 /nfs/dbraw/zinc/77/16/71/522771671.db2.gz GFIOMXZLAUUMQS-GFCCVEGCSA-N 0 3 307.390 2.410 20 10 DECDHN COc1cc([O-])c(C[N@@H+](C[C@H]2CCOC2)C2CC2)cc1OC ZINC000159830893 522771681 /nfs/dbraw/zinc/77/16/81/522771681.db2.gz GFIOMXZLAUUMQS-GFCCVEGCSA-N 0 3 307.390 2.410 20 10 DECDHN COc1cc([O-])c(C[NH2+]C[C@@](C)(O)c2ccccc2)cc1OC ZINC000182218329 522781947 /nfs/dbraw/zinc/78/19/47/522781947.db2.gz VXMKBUQDEBCHQX-GOSISDBHSA-N 0 3 317.385 2.407 20 10 DECDHN C[C@@H]1C[C@@H]1N1C[C@@H](NC/C=C/c2ccc(N(C)C)cc2)CC1=O ZINC000835041462 649870342 /nfs/dbraw/zinc/87/03/42/649870342.db2.gz XNDJUZPCYUCCSO-LYTOYTJTSA-N 0 3 313.445 2.365 20 10 DECDHN [O-]c1ccc(Br)cc1CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000311211902 625586545 /nfs/dbraw/zinc/58/65/45/625586545.db2.gz LMRJEHXCWSADQF-GWCFXTLKSA-N 0 3 311.223 2.339 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)C23CC(C2)C3)N(C)C)cc1 ZINC000891245283 623789199 /nfs/dbraw/zinc/78/91/99/623789199.db2.gz BWCOZEKLNVRYHD-CRPOECCBSA-N 0 3 301.434 2.272 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)c2cncs2)N(C)C)cc1 ZINC000891247107 623790997 /nfs/dbraw/zinc/79/09/97/623790997.db2.gz FBWNVTJCXWZLQP-CQSZACIVSA-N 0 3 318.446 2.242 20 10 DECDHN CC[C@](C)(OC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248770 623794851 /nfs/dbraw/zinc/79/48/51/623794851.db2.gz NVGYMOOFHBYYSB-AEFFLSMTSA-N 0 3 321.465 2.287 20 10 DECDHN CS/C=C\C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891250651 623795555 /nfs/dbraw/zinc/79/55/55/623795555.db2.gz BHWRXJMGLXKINS-JQPIKURYSA-N 0 3 307.463 2.348 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccncc2)N(C)C)cc1 ZINC000891258698 623808217 /nfs/dbraw/zinc/80/82/17/623808217.db2.gz ZPDULRBOVYKQTQ-QGZVFWFLSA-N 0 3 312.417 2.180 20 10 DECDHN Cc1nn(C)cc1CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000161009395 624199455 /nfs/dbraw/zinc/19/94/55/624199455.db2.gz WJZRUCMPRGMYTQ-CQSZACIVSA-N 0 3 314.433 2.416 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)NCC2CC2)N(C)C)cc1 ZINC000891727680 624562585 /nfs/dbraw/zinc/56/25/85/624562585.db2.gz FADSDJWIYMKOGD-INIZCTEOSA-N 0 3 304.438 2.065 20 10 DECDHN COC(=O)[C@H]1[C@@H](CNCc2ccc3c(c2)CCCN3C)C1(F)F ZINC000894209163 636449048 /nfs/dbraw/zinc/44/90/48/636449048.db2.gz OSCPJAAAFKGELV-UKRRQHHQSA-N 0 3 324.371 2.213 20 10 DECDHN C[C@@H](F)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895052151 637422844 /nfs/dbraw/zinc/42/28/44/637422844.db2.gz SKDUUZLSCRMGHU-CJNGLKHVSA-N 0 3 324.444 2.403 20 10 DECDHN C[C@@H]1[C@@H](C)CCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839499479 637897365 /nfs/dbraw/zinc/89/73/65/637897365.db2.gz VVPCZBNWJAPGRG-LSDHHAIUSA-N 0 3 303.450 2.489 20 10 DECDHN Cc1cc(N(C)C)ccc1CNC[C@H]1CCCCS1(=O)=O ZINC000840935837 650389092 /nfs/dbraw/zinc/38/90/92/650389092.db2.gz AFWIIFXDEOPBFF-MRXNPFEDSA-N 0 3 310.463 2.118 20 10 DECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H]([C@]2(C)COC(=O)N2)C1 ZINC000896395975 638501730 /nfs/dbraw/zinc/50/17/30/638501730.db2.gz WVLHXVWLCHZDKV-DYVFJYSZSA-N 0 3 304.390 2.411 20 10 DECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H]([C@]2(C)COC(=O)N2)C1 ZINC000896395975 638501732 /nfs/dbraw/zinc/50/17/32/638501732.db2.gz WVLHXVWLCHZDKV-DYVFJYSZSA-N 0 3 304.390 2.411 20 10 DECDHN CN(C)c1ccc(CN2CCC3(CC2)C[C@@H](O)CCO3)cc1F ZINC000897261271 639294146 /nfs/dbraw/zinc/29/41/46/639294146.db2.gz ZALVLNWLVLCVRU-HNNXBMFYSA-N 0 3 322.424 2.398 20 10 DECDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(C3CC3)C2)c2c1c(F)ccc2[O-] ZINC000756735973 639691326 /nfs/dbraw/zinc/69/13/26/639691326.db2.gz JWNJEBIVCANPNP-BREBYQMCSA-N 0 3 304.365 2.433 20 10 DECDHN [O-]c1ccc2ccncc2c1C[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000756864337 639706816 /nfs/dbraw/zinc/70/68/16/639706816.db2.gz XKGKMGUZGKCBTL-ROUUACIJSA-N 0 3 314.385 2.320 20 10 DECDHN [O-]c1ccc2ccncc2c1C[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000756864337 639706825 /nfs/dbraw/zinc/70/68/25/639706825.db2.gz XKGKMGUZGKCBTL-ROUUACIJSA-N 0 3 314.385 2.320 20 10 DECDHN CCN(Cc1ccccn1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768464202 641084430 /nfs/dbraw/zinc/08/44/30/641084430.db2.gz OLWIOAHHXWQVNC-INIZCTEOSA-N 0 3 300.358 2.235 20 10 DECDHN CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1c([O-])cccc1OC)CC2 ZINC000769478489 641247845 /nfs/dbraw/zinc/24/78/45/641247845.db2.gz DUYIHJAAISZNGE-SJORKVTESA-N 0 3 321.417 2.153 20 10 DECDHN COC(=O)C[C@@]1(NCc2ccc(OC)c(C)c2)CCCOC1 ZINC000770677997 641406629 /nfs/dbraw/zinc/40/66/29/641406629.db2.gz XPVLHFGUIHPPNN-KRWDZBQOSA-N 0 3 307.390 2.206 20 10 DECDHN C[C@@H]([NH2+]C[C@@H]1CCN1C1CCOCC1)c1cc(F)ccc1[O-] ZINC000927104220 641630068 /nfs/dbraw/zinc/63/00/68/641630068.db2.gz KFWRHTQTNRPPER-DOMZBBRYSA-N 0 3 308.397 2.435 20 10 DECDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccc(O)cc2)c1 ZINC000775374765 642036578 /nfs/dbraw/zinc/03/65/78/642036578.db2.gz DRCPFDMGTQPVPK-LLVKDONJSA-N 0 3 316.357 2.396 20 10 DECDHN CN1CCN(c2ccc(CN3CCOCC3(C)C)cc2)CC1 ZINC000775663324 642075859 /nfs/dbraw/zinc/07/58/59/642075859.db2.gz MEWKATXMXLRNDJ-UHFFFAOYSA-N 0 3 303.450 2.049 20 10 DECDHN C[C@H](NCC(=O)NCc1ccccn1)c1ccc(N(C)C)cc1 ZINC000775834326 642102950 /nfs/dbraw/zinc/10/29/50/642102950.db2.gz RLYZEJWSGKYYQT-AWEZNQCLSA-N 0 3 312.417 2.115 20 10 DECDHN C[C@@H]1[C@H](C)N(C)CCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000775986921 642120150 /nfs/dbraw/zinc/12/01/50/642120150.db2.gz SQWAGVFQJIKJCB-LSDHHAIUSA-N 0 3 321.440 2.187 20 10 DECDHN C[C@@H](CCO)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000779339212 642488656 /nfs/dbraw/zinc/48/86/56/642488656.db2.gz AINJLLTXNJXJMM-WFASDCNBSA-N 0 3 312.841 2.371 20 10 DECDHN C[C@H]1OCC[C@@]12CN(Cc1cc3c(cc1O)CCC3)CCO2 ZINC000794657767 644455249 /nfs/dbraw/zinc/45/52/49/644455249.db2.gz HNFPVKWHLGQVCL-FZKQIMNGSA-N 0 3 303.402 2.261 20 10 DECDHN CC[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)c1ccc(C)cc1[O-] ZINC000794798490 644477807 /nfs/dbraw/zinc/47/78/07/644477807.db2.gz UZQGZYKQHIMBMB-CQSZACIVSA-N 0 3 314.451 2.023 20 10 DECDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)CC(F)F ZINC000843484916 650982574 /nfs/dbraw/zinc/98/25/74/650982574.db2.gz FNXBGEHTPZTJGL-AWEZNQCLSA-N 0 3 313.392 2.472 20 10 DECDHN CC[C@@H](C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)N(C)C ZINC000839918956 645299616 /nfs/dbraw/zinc/29/96/16/645299616.db2.gz DUPMJUZIWPLBGI-YOEHRIQHSA-N 0 3 305.466 2.448 20 10 DECDHN C[C@@]12C[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000840114660 645986430 /nfs/dbraw/zinc/98/64/30/645986430.db2.gz HSACNEDFKUXTGA-ZAPVWNLVSA-N 0 3 313.397 2.462 20 10 DECDHN C[C@@]12C[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000840114660 645986433 /nfs/dbraw/zinc/98/64/33/645986433.db2.gz HSACNEDFKUXTGA-ZAPVWNLVSA-N 0 3 313.397 2.462 20 10 DECDHN CCOc1ccc(C[NH2+][C@H]2COc3ccccc3[C@@H]2O)c([O-])c1 ZINC000808454278 646088141 /nfs/dbraw/zinc/08/81/41/646088141.db2.gz OCRQYGSHNRSVBZ-YJBOKZPZSA-N 0 3 315.369 2.375 20 10 DECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](C)S(C)(=O)=O)c1[O-] ZINC000808708715 646131364 /nfs/dbraw/zinc/13/13/64/646131364.db2.gz PDEQKDVBMWATOM-UWVGGRQHSA-N 0 3 305.827 2.438 20 10 DECDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)C(=O)NCCF)c1[O-] ZINC000808717622 646131749 /nfs/dbraw/zinc/13/17/49/646131749.db2.gz KCAZPDDSOUASQT-UWVGGRQHSA-N 0 3 302.777 2.479 20 10 DECDHN Cn1cncc1CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000809575927 646240652 /nfs/dbraw/zinc/24/06/52/646240652.db2.gz NGANQWZDVFDTMJ-QGZVFWFLSA-N 0 3 315.417 2.349 20 10 DECDHN Cn1cncc1CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000809575927 646240657 /nfs/dbraw/zinc/24/06/57/646240657.db2.gz NGANQWZDVFDTMJ-QGZVFWFLSA-N 0 3 315.417 2.349 20 10 DECDHN C[C@@H](N[C@@H]1CC[C@H]1O)c1ccc(N2CCOCC2)cc1Cl ZINC000818357561 647457529 /nfs/dbraw/zinc/45/75/29/647457529.db2.gz AHMBTGCDCPKHFV-HFBAOOFYSA-N 0 3 310.825 2.351 20 10 DECDHN C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC000921330105 648289596 /nfs/dbraw/zinc/28/95/96/648289596.db2.gz CLKJEYKQGZBZOM-RYUDHWBXSA-N 0 3 309.385 2.203 20 10 DECDHN CCCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CCN(C)C1 ZINC000824020974 648513303 /nfs/dbraw/zinc/51/33/03/648513303.db2.gz DYBFVOWJWABGIX-CQSZACIVSA-N 0 3 317.393 2.405 20 10 DECDHN CC(C)[C@H](CO)[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)C(C)C ZINC000824844811 648660828 /nfs/dbraw/zinc/66/08/28/648660828.db2.gz CZRNLXGYQKZTMJ-GUYCJALGSA-N 0 3 309.406 2.500 20 10 DECDHN CCc1nc(CNCc2ccc(N3CCN(C)CC3)cc2)co1 ZINC000825057405 648693836 /nfs/dbraw/zinc/69/38/36/648693836.db2.gz MUFNCTPJUZKAIQ-UHFFFAOYSA-N 0 3 314.433 2.279 20 10 DECDHN C[N@H+](CCCNC(=O)c1cccc(O)c1[O-])Cc1ccccc1 ZINC000184770710 649370804 /nfs/dbraw/zinc/37/08/04/649370804.db2.gz OUIOVCVDXMXXGL-UHFFFAOYSA-N 0 3 314.385 2.350 20 10 DECDHN C[N@@H+](CCCNC(=O)c1cccc(O)c1[O-])Cc1ccccc1 ZINC000184770710 649370806 /nfs/dbraw/zinc/37/08/06/649370806.db2.gz OUIOVCVDXMXXGL-UHFFFAOYSA-N 0 3 314.385 2.350 20 10 DECDHN COc1cccc([O-])c1C[NH2+]C[C@]1(CO)CCc2ccccc21 ZINC000846010905 651301184 /nfs/dbraw/zinc/30/11/84/651301184.db2.gz KDRRADYNVOGBLT-IBGZPJMESA-N 0 3 313.397 2.367 20 10 DECDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCN(C)C)c1[O-] ZINC000848550954 651469720 /nfs/dbraw/zinc/46/97/20/651469720.db2.gz ZUJQTWAAHRXDAJ-SECBINFHSA-N 0 3 317.227 2.376 20 10 DECDHN COc1ccc(N2CC[C@H](NCc3ccc(CO)o3)C2)cc1 ZINC000850346249 651904956 /nfs/dbraw/zinc/90/49/56/651904956.db2.gz DDEUWFNLQNJWMZ-ZDUSSCGKSA-N 0 3 302.374 2.149 20 10 DECDHN CCS(=O)(=O)C1(CNC/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000850397825 651920242 /nfs/dbraw/zinc/92/02/42/651920242.db2.gz LJJJCUPLICPCND-AATRIKPKSA-N 0 3 322.474 2.323 20 10 DECDHN C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1nccn1C ZINC000850409801 651922555 /nfs/dbraw/zinc/92/25/55/651922555.db2.gz HAAKLRWXUSROMX-OAHLLOKOSA-N 0 3 313.449 2.023 20 10 DECDHN Cn1nccc1[C@@H](O)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000857060685 652043077 /nfs/dbraw/zinc/04/30/77/652043077.db2.gz DRHSQKZVWQZXHD-KRWDZBQOSA-N 0 3 301.390 2.071 20 10 DECDHN CN(C)c1ccc(CNC(=O)CN(C)C[C@H]2CC2(C)C)cc1 ZINC000852773053 652454404 /nfs/dbraw/zinc/45/44/04/652454404.db2.gz VDTCLLFBCPKUJC-OAHLLOKOSA-N 0 3 303.450 2.347 20 10 DECDHN CN1CCCc2cc(CNC(=O)C3(N)CC4(CCC4)C3)ccc21 ZINC000852864181 652471923 /nfs/dbraw/zinc/47/19/23/652471923.db2.gz YNYFXOZLILESGE-UHFFFAOYSA-N 0 3 313.445 2.347 20 10 DECDHN COc1ccc(CN[C@@H]2CCCc3c2cnn3CCO)cc1C ZINC000391552783 685446584 /nfs/dbraw/zinc/44/65/84/685446584.db2.gz UNQZSUNDQAHNIV-MRXNPFEDSA-N 0 3 315.417 2.360 20 10 DECDHN CCOC(CN(C)Cc1ccc(N2CCOCC2)cc1)OCC ZINC000123655473 684127093 /nfs/dbraw/zinc/12/70/93/684127093.db2.gz OGVZHWMRBBIOSE-UHFFFAOYSA-N 0 3 322.449 2.354 20 10 DECDHN C[N@@H+]1CC[C@@H]2CN(Cc3c([O-])cccc3Br)C[C@@H]21 ZINC000862385275 686288229 /nfs/dbraw/zinc/28/82/29/686288229.db2.gz GONBXJUWDNOMQG-MFKMUULPSA-N 0 3 311.223 2.291 20 10 DECDHN C[N@H+]1CC[C@@H]2CN(Cc3c([O-])cccc3Br)C[C@@H]21 ZINC000862385275 686288233 /nfs/dbraw/zinc/28/82/33/686288233.db2.gz GONBXJUWDNOMQG-MFKMUULPSA-N 0 3 311.223 2.291 20 10 DECDHN CCOc1ccc(O)c(CN[C@](C)(CO)c2cccc(O)c2)c1 ZINC000862432588 686302563 /nfs/dbraw/zinc/30/25/63/686302563.db2.gz JOMSQBAHOAVRCH-GOSISDBHSA-N 0 3 317.385 2.494 20 10 DECDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCS(=O)(=O)[C@@H]2C)c1[O-] ZINC000862513495 686313475 /nfs/dbraw/zinc/31/34/75/686313475.db2.gz HVJCAXCSNDFGBW-BXKDBHETSA-N 0 3 303.811 2.019 20 10 DECDHN [NH3+]C[C@H]1CN(Cc2cccc(F)c2[O-])CC[C@@H]1C(F)(F)F ZINC000863645471 686538898 /nfs/dbraw/zinc/53/88/98/686538898.db2.gz IBWCUICTILEQQO-QWRGUYRKSA-N 0 3 306.303 2.490 20 10 DECDHN C[C@@H](N[C@@H]1COC[C@@H]1O)c1ccc(N2CCCCC2)c(F)c1 ZINC000866418122 687566475 /nfs/dbraw/zinc/56/64/75/687566475.db2.gz DZCJOWDLHHUYLP-VMGRFDJRSA-N 0 3 308.397 2.226 20 10 DECDHN Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c([O-])c1 ZINC000876583164 689865790 /nfs/dbraw/zinc/86/57/90/689865790.db2.gz GGVFNCDEXQTSPO-INIZCTEOSA-N 0 3 302.418 2.439 20 10 DECDHN Cc1ccc(C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c([O-])c1 ZINC000876583164 689865795 /nfs/dbraw/zinc/86/57/95/689865795.db2.gz GGVFNCDEXQTSPO-INIZCTEOSA-N 0 3 302.418 2.439 20 10 DECDHN COCCCNC(=O)C1CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC000876630183 689882297 /nfs/dbraw/zinc/88/22/97/689882297.db2.gz SCRGIFWHLKMTSP-UHFFFAOYSA-N 0 3 320.433 2.065 20 10 DECDHN Cc1ccc(C[N@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)c([O-])c1 ZINC000876810322 689943744 /nfs/dbraw/zinc/94/37/44/689943744.db2.gz RLUATJPWDFOAHM-WBVHZDCISA-N 0 3 315.417 2.380 20 10 DECDHN Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)c([O-])c1 ZINC000876810322 689943746 /nfs/dbraw/zinc/94/37/46/689943746.db2.gz RLUATJPWDFOAHM-WBVHZDCISA-N 0 3 315.417 2.380 20 10 DECDHN COC(=O)c1cc(CNCc2ccc(N(C)C)cc2)[nH]c1C ZINC000876905446 689969504 /nfs/dbraw/zinc/96/95/04/689969504.db2.gz HQLUPAFWEDLYTK-UHFFFAOYSA-N 0 3 301.390 2.466 20 10 DECDHN Cc1cccc([O-])c1C[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000877031006 690001855 /nfs/dbraw/zinc/00/18/55/690001855.db2.gz LANHMZUGJVFMQR-MRXNPFEDSA-N 0 3 304.434 2.434 20 10 DECDHN Cc1ccc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)c([O-])c1 ZINC000877502262 690133623 /nfs/dbraw/zinc/13/36/23/690133623.db2.gz DEKJADXYPILPTE-MRXNPFEDSA-N 0 3 304.434 2.245 20 10 DECDHN Cc1ccc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)c([O-])c1 ZINC000877502262 690133625 /nfs/dbraw/zinc/13/36/25/690133625.db2.gz DEKJADXYPILPTE-MRXNPFEDSA-N 0 3 304.434 2.245 20 10 DECDHN CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(C)cc3[O-])[C@@H]2C1 ZINC000877536183 690144827 /nfs/dbraw/zinc/14/48/27/690144827.db2.gz KJXSBDCBWUBGMB-GVDBMIGSSA-N 0 3 302.418 2.437 20 10 DECDHN Cc1ccc(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)c([O-])c1 ZINC000877553270 690149623 /nfs/dbraw/zinc/14/96/23/690149623.db2.gz MKMFUUBUHNFNQQ-KRWDZBQOSA-N 0 3 305.418 2.358 20 10 DECDHN Cc1cccc([O-])c1C[N@H+](CCN1CCOCC1)CC1CC1 ZINC000877635815 690174208 /nfs/dbraw/zinc/17/42/08/690174208.db2.gz FSIRIFLCMSWQOW-UHFFFAOYSA-N 0 3 304.434 2.245 20 10 DECDHN Cc1cccc([O-])c1C[N@@H+](CCN1CCOCC1)CC1CC1 ZINC000877635815 690174209 /nfs/dbraw/zinc/17/42/09/690174209.db2.gz FSIRIFLCMSWQOW-UHFFFAOYSA-N 0 3 304.434 2.245 20 10 DECDHN CN(C)c1ccc(/C=C/CN[C@H]2CC(=O)N(CC3CC3)C2)cc1 ZINC000883402833 691498914 /nfs/dbraw/zinc/49/89/14/691498914.db2.gz BPNPQYVDPQNCDX-IDOMTICXSA-N 0 3 313.445 2.366 20 10 DECDHN C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cc(F)ccc1[O-] ZINC000927038140 693544325 /nfs/dbraw/zinc/54/43/25/693544325.db2.gz CJNRUCWPZDDEOD-NSNUZPRRSA-N 0 3 313.394 2.290 20 10 DECDHN CC(=N)N(Cc1cccc(C[NH3+])c1)C(=O)c1cccc(O)c1[O-] ZINC001148225922 791716574 /nfs/dbraw/zinc/71/65/74/791716574.db2.gz XIXCJFNVQUSGDW-UHFFFAOYSA-N 0 3 313.357 2.196 20 10 DECDHN CN(CC(=O)N1CCCc2cc(O)c(O)cc2C1)C1CCCC1 ZINC001180628718 795345905 /nfs/dbraw/zinc/34/59/05/795345905.db2.gz CGDBVZRDQIXUJE-UHFFFAOYSA-N 0 3 318.417 2.247 20 10 DECDHN COC(=O)/C=C\c1ccc(CNCc2cccc(OC)c2O)o1 ZINC001181485871 795484618 /nfs/dbraw/zinc/48/46/18/795484618.db2.gz KUMAUBVZRZMMKY-HJWRWDBZSA-N 0 3 317.341 2.470 20 10 DECDHN CN1CCCc2cc(CN3CCC[C@@H](n4cncn4)C3)ccc21 ZINC001138356371 796204364 /nfs/dbraw/zinc/20/43/64/796204364.db2.gz MZHQUFODSPCCCQ-QGZVFWFLSA-N 0 3 311.433 2.498 20 10 DECDHN CCN1CCC2(CC[NH+](Cc3ccc(OC)cc3[O-])CC2)C1=O ZINC001203634667 796374622 /nfs/dbraw/zinc/37/46/22/796374622.db2.gz QJNWPWJSHBKMRI-UHFFFAOYSA-N 0 3 318.417 2.235 20 10 DECDHN CCN1CC[C@@]2(C[N@H+](Cc3cc(F)ccc3[O-])C[C@@H]2C)C1=O ZINC001140053717 796470675 /nfs/dbraw/zinc/47/06/75/796470675.db2.gz APJNUIWFYJBAEU-SJCJKPOMSA-N 0 3 306.381 2.222 20 10 DECDHN CCN1CC[C@@]2(C[N@@H+](Cc3cc(F)ccc3[O-])C[C@@H]2C)C1=O ZINC001140053717 796470677 /nfs/dbraw/zinc/47/06/77/796470677.db2.gz APJNUIWFYJBAEU-SJCJKPOMSA-N 0 3 306.381 2.222 20 10 DECDHN [O-]c1cc(Cl)ccc1CN1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001140464376 796525553 /nfs/dbraw/zinc/52/55/53/796525553.db2.gz NAPAWZNACIDXLR-OAHLLOKOSA-N 0 3 310.825 2.342 20 10 DECDHN CCOC(=O)[C@@H]1CCCN(Cc2c(O)cc(OC)cc2OC)C1 ZINC001141028221 796620030 /nfs/dbraw/zinc/62/00/30/796620030.db2.gz GKTBKKYPEIGEIO-GFCCVEGCSA-N 0 3 323.389 2.185 20 10 DECDHN CCOC(=O)[C@@H]1CCC[N@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141028221 796620032 /nfs/dbraw/zinc/62/00/32/796620032.db2.gz GKTBKKYPEIGEIO-GFCCVEGCSA-N 0 3 323.389 2.185 20 10 DECDHN CCOC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141028221 796620036 /nfs/dbraw/zinc/62/00/36/796620036.db2.gz GKTBKKYPEIGEIO-GFCCVEGCSA-N 0 3 323.389 2.185 20 10 DECDHN CC(C)CC(=O)NC1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141159199 796641993 /nfs/dbraw/zinc/64/19/93/796641993.db2.gz BWPFQHITHOAXAX-UHFFFAOYSA-N 0 3 306.406 2.225 20 10 DECDHN Oc1ccc(O)c(CN2CC3(CN(Cc4ccccc4)C3)C2)c1 ZINC001141160154 796643304 /nfs/dbraw/zinc/64/33/04/796643304.db2.gz RDNIZUMJFRBZKE-UHFFFAOYSA-N 0 3 310.397 2.416 20 10 DECDHN COc1ccc(CNCc2cccc(OCC(N)=O)c2)cc1C ZINC001200831118 798684727 /nfs/dbraw/zinc/68/47/27/798684727.db2.gz TZIUDUVBUFIDHJ-UHFFFAOYSA-N 0 3 314.385 2.158 20 10 DECDHN COc1ccc(O)c(CN2CC[C@H](Oc3nccc(C)n3)C2)c1 ZINC001203684244 800106715 /nfs/dbraw/zinc/10/67/15/800106715.db2.gz PTIDANUNKQIZDQ-HNNXBMFYSA-N 0 3 315.373 2.153 20 10 DECDHN COC[C@@]12CCCO[C@H]1CCN(Cc1ccc(O)c(O)c1)C2 ZINC001203877305 800138754 /nfs/dbraw/zinc/13/87/54/800138754.db2.gz PKHVMADVGKHFRS-IRXDYDNUSA-N 0 3 307.390 2.115 20 10 DECDHN COc1cc([O-])c(CN2C[C@H]([NH3+])CC(F)(F)C2)cc1Cl ZINC001206139724 800479453 /nfs/dbraw/zinc/47/94/53/800479453.db2.gz OHXWXZOILSTOHC-SECBINFHSA-N 0 3 306.740 2.223 20 10 DECDHN CNC(=O)NC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC001231589297 801691223 /nfs/dbraw/zinc/69/12/23/801691223.db2.gz FZKAGHLQYPAQHI-UHFFFAOYSA-N 0 3 313.401 2.439 20 10 DECDHN CCN(CCn1ccnc1)Cc1ccc(N(C)C)cc1OC ZINC001231858430 801738804 /nfs/dbraw/zinc/73/88/04/801738804.db2.gz WCBKPYWAAQGMNH-UHFFFAOYSA-N 0 3 302.422 2.480 20 10 DECDHN O=C1c2cccc(OC3CC[NH2+]CC3)c2C(=O)c2cccc([O-])c21 ZINC001217964308 802124815 /nfs/dbraw/zinc/12/48/15/802124815.db2.gz SNIWTJMUISLDMM-UHFFFAOYSA-N 0 3 323.348 2.298 20 10 DECDHN C[C@@H]1C[NH2+]C[C@H]1Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001218036281 802135725 /nfs/dbraw/zinc/13/57/25/802135725.db2.gz WGSAQKAGPLFVIF-MEBBXXQBSA-N 0 3 323.348 2.154 20 10 DECDHN O=C(NCC1(CC2CCC2)CC[NH2+]CC1)c1cccc(O)c1[O-] ZINC001221132330 802532605 /nfs/dbraw/zinc/53/26/05/802532605.db2.gz QUDBTDCTFVJVBD-UHFFFAOYSA-N 0 3 318.417 2.388 20 10 DECDHN C[C@H](NCc1ccc(N2CCCC2)cc1)C1(S(C)(=O)=O)CC1 ZINC001345411089 1150888456 /nfs/dbraw/zinc/88/84/56/1150888456.db2.gz JJWZBJRPKNPVEO-AWEZNQCLSA-N 0 3 322.474 2.342 20 10 DECDHN CC[C@H](F)CNCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001493809498 1063970468 /nfs/dbraw/zinc/97/04/68/1063970468.db2.gz IZDSMGXVTQGMDZ-LBPRGKRZSA-N 0 3 323.372 2.259 20 10 DECDHN COc1cc(C)c(C[NH2+]C2CCN([C@H]3CCOC3)CC2)c([O-])c1 ZINC001621448407 1078174876 /nfs/dbraw/zinc/17/48/76/1078174876.db2.gz WMTFQJHYRKIDFL-HNNXBMFYSA-N 0 3 320.433 2.052 20 10 DECDHN [NH3+]CC[C@@H](NCc1c([O-])cccc1Br)C(F)F ZINC001580284669 1067550851 /nfs/dbraw/zinc/55/08/51/1067550851.db2.gz NXXJTZCIILRASS-SECBINFHSA-N 0 3 309.154 2.227 20 10 DECDHN CC[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](CC)CN1 ZINC001573717705 1069077047 /nfs/dbraw/zinc/07/70/47/1069077047.db2.gz HAPJPLOAAQVHHJ-RNUUNTDPSA-N 0 3 304.390 2.100 20 10 DECDHN C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609778484 1077921541 /nfs/dbraw/zinc/92/15/41/1077921541.db2.gz NQHXZJORYMRQLV-AHLTXXRQSA-N 0 3 304.390 2.129 20 10 DECDHN COc1cc(C)c(C[NH2+]CC(C)(C)C(=O)N2CCCC2)c([O-])c1 ZINC001660462483 1080335380 /nfs/dbraw/zinc/33/53/80/1080335380.db2.gz HEVPKVPXJHISCY-UHFFFAOYSA-N 0 3 320.433 2.447 20 10 DECDHN COc1ccc(CNC/C=C/CNC(=O)c2cc[nH]c2)cc1C ZINC001268539367 1080733865 /nfs/dbraw/zinc/73/38/65/1080733865.db2.gz HUTMRKGHGAFFJW-ONEGZZNKSA-N 0 3 313.401 2.408 20 10 DECDHN CCOC(=O)[C@H](C)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234657964 1084189970 /nfs/dbraw/zinc/18/99/70/1084189970.db2.gz OJEWVQJPJLHXNH-AWEZNQCLSA-N 0 3 306.406 2.159 20 10 DECDHN CC(C)NC(=O)N1CCC2(C[NH+](Cc3c([O-])cccc3F)C2)C1 ZINC001276359085 1089242628 /nfs/dbraw/zinc/24/26/28/1089242628.db2.gz FYUXZCYZIYCLJS-UHFFFAOYSA-N 0 3 321.396 2.157 20 10 DECDHN CC(C)NC(=O)N1CCC2(CN(Cc3c(O)cccc3F)C2)C1 ZINC001276359085 1089242640 /nfs/dbraw/zinc/24/26/40/1089242640.db2.gz FYUXZCYZIYCLJS-UHFFFAOYSA-N 0 3 321.396 2.157 20 10 DECDHN Oc1ccccc1CN1C[C@@H]2CN(C3CCCC3)C[C@H](C1)O2 ZINC001275267026 1091645507 /nfs/dbraw/zinc/64/55/07/1091645507.db2.gz JHMKGLBPXYEWFA-CALCHBBNSA-N 0 3 302.418 2.220 20 10 DECDHN Cc1cc(CN2CCC[C@@H]2CO)c(O)cc1Br ZINC001250120665 1091874137 /nfs/dbraw/zinc/87/41/37/1091874137.db2.gz MAAKEKJXVWGANR-LLVKDONJSA-N 0 3 300.196 2.420 20 10 DECDHN Cc1cc(C[N@@H+]2CCC[C@@H]2CO)c([O-])cc1Br ZINC001250120665 1091874146 /nfs/dbraw/zinc/87/41/46/1091874146.db2.gz MAAKEKJXVWGANR-LLVKDONJSA-N 0 3 300.196 2.420 20 10 DECDHN Cc1cc(C[N@H+]2CCC[C@@H]2CO)c([O-])cc1Br ZINC001250120665 1091874154 /nfs/dbraw/zinc/87/41/54/1091874154.db2.gz MAAKEKJXVWGANR-LLVKDONJSA-N 0 3 300.196 2.420 20 10 DECDHN COc1cc(O)c(CN2CC[C@@H]3CCCO[C@H]3C2)cc1OC ZINC001236750123 1138407748 /nfs/dbraw/zinc/40/77/48/1138407748.db2.gz OUWHYSFCIDAEKB-SJCJKPOMSA-N 0 3 307.390 2.410 20 10 DECDHN COc1cc(O)c(CN2CC[C@H]3CCCO[C@H]3C2)cc1OC ZINC001236750119 1138408127 /nfs/dbraw/zinc/40/81/27/1138408127.db2.gz OUWHYSFCIDAEKB-PXAZEXFGSA-N 0 3 307.390 2.410 20 10 DECDHN CCc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C)C2)c([O-])c1 ZINC001236786334 1138427182 /nfs/dbraw/zinc/42/71/82/1138427182.db2.gz AROHXSKEQWYSBQ-GOEBONIOSA-N 0 3 302.418 2.397 20 10 DECDHN CCc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C)C2)c([O-])c1 ZINC001236786334 1138427186 /nfs/dbraw/zinc/42/71/86/1138427186.db2.gz AROHXSKEQWYSBQ-GOEBONIOSA-N 0 3 302.418 2.397 20 10 DECDHN CCOC(=O)[C@H]1CCN(Cc2ccc(CC)cc2O)CCC1=O ZINC001236788833 1138428798 /nfs/dbraw/zinc/42/87/98/1138428798.db2.gz PHYDILLYAMHIRJ-HNNXBMFYSA-N 0 3 319.401 2.299 20 10 DECDHN CCc1ccc(C[NH+]2CCC3(CCCNC3=O)CC2)c([O-])c1 ZINC001236795674 1138430484 /nfs/dbraw/zinc/43/04/84/1138430484.db2.gz YPXNDJOUSKVTFK-UHFFFAOYSA-N 0 3 302.418 2.447 20 10 DECDHN COC(=O)CC1CC[NH+](Cc2c(C)cc(OC)cc2[O-])CC1 ZINC001236807336 1138435174 /nfs/dbraw/zinc/43/51/74/1138435174.db2.gz GCOCJLVGRDLELY-UHFFFAOYSA-N 0 3 307.390 2.484 20 10 DECDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CCC[C@H](O)C1 ZINC001237050478 1138490007 /nfs/dbraw/zinc/49/00/07/1138490007.db2.gz BTROXJVVOYYWDK-NSHDSACASA-N 0 3 305.296 2.290 20 10 DECDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCC[C@H](O)C1 ZINC001237050478 1138490010 /nfs/dbraw/zinc/49/00/10/1138490010.db2.gz BTROXJVVOYYWDK-NSHDSACASA-N 0 3 305.296 2.290 20 10 DECDHN Cc1cc(F)cc(C[NH+]2CCC3(CCCC(=O)N3)CC2)c1[O-] ZINC001238060275 1138819260 /nfs/dbraw/zinc/81/92/60/1138819260.db2.gz GKHRCDJHVOAUNL-UHFFFAOYSA-N 0 3 306.381 2.474 20 10 DECDHN CC1=NC2(CC[NH+](Cc3cc(F)cc(C)c3[O-])CC2)C(=O)N1C ZINC001238064307 1138819541 /nfs/dbraw/zinc/81/95/41/1138819541.db2.gz AIGBNYXUTXAAJI-UHFFFAOYSA-N 0 3 319.380 2.065 20 10 DECDHN C[C@H]1C[C@H]([NH2+]CCN2CCC(CO)CC2)c2c1c(F)ccc2[O-] ZINC001320244095 1140841065 /nfs/dbraw/zinc/84/10/65/1140841065.db2.gz AIBCXBFTGXBIAW-WFASDCNBSA-N 0 3 322.424 2.374 20 10 DECDHN Oc1ccc(CNC[C@@H](O)COc2ccc(Cl)cc2)cc1O ZINC001250686572 1142266881 /nfs/dbraw/zinc/26/68/81/1142266881.db2.gz VSYAVYVUDIGZNF-CYBMUJFWSA-N 0 3 323.776 2.281 20 10 DECDHN COc1cccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2[O-])c1 ZINC001253957523 1143012155 /nfs/dbraw/zinc/01/21/55/1143012155.db2.gz IJXGSCFDUNYHFP-OAHLLOKOSA-N 0 3 317.385 2.273 20 10 DECDHN COc1cccc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2[O-])c1 ZINC001253957523 1143012167 /nfs/dbraw/zinc/01/21/67/1143012167.db2.gz IJXGSCFDUNYHFP-OAHLLOKOSA-N 0 3 317.385 2.273 20 10 DECDHN C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC001339835047 1143125216 /nfs/dbraw/zinc/12/52/16/1143125216.db2.gz IXFVNHDVAGMGMO-KGLIPLIRSA-N 0 3 309.385 2.203 20 10 DECDHN CC[C@H](C)C[C@H](N)C(=O)NCc1ccc2c(c1)CCCN2C ZINC001341677390 1143662226 /nfs/dbraw/zinc/66/22/26/1143662226.db2.gz NGZWCSFEHBXMLE-BBRMVZONSA-N 0 3 303.450 2.449 20 10 DECDHN COCCNC(=O)C1(N[C@@H]2C[C@H](C)c3c2c(O)ccc3C)CC1 ZINC001325575154 1147953819 /nfs/dbraw/zinc/95/38/19/1147953819.db2.gz VZPUNGKAGIDGED-QWHCGFSZSA-N 0 3 318.417 2.134 20 10 DECDHN CNC(=O)[C@H](CCSC)NCc1ccc(N2CCCC2)cc1 ZINC001325740677 1147993787 /nfs/dbraw/zinc/99/37/87/1147993787.db2.gz WPZPHMCRQUYOSD-INIZCTEOSA-N 0 3 321.490 2.244 20 10 DECDHN CCN1CCC(NC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000043293161 354217803 /nfs/dbraw/zinc/21/78/03/354217803.db2.gz LMWZBXJMLWEVJA-UHFFFAOYSA-N 0 3 318.465 2.378 20 10 DECDHN COCCC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000530095597 284339801 /nfs/dbraw/zinc/33/98/01/284339801.db2.gz OURAPFUXADASHF-MRXNPFEDSA-N 0 3 307.390 2.067 20 10 DECDHN CCOC(=O)[C@@](C)(O)CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000274680468 130253346 /nfs/dbraw/zinc/25/33/46/130253346.db2.gz WUEATIFXZIDZLB-SFHVURJKSA-N 0 3 320.433 2.031 20 10 DECDHN CCCOc1ccc(C[NH2+][C@@H]2C[C@H](OCC)[C@H]2OC)c([O-])c1 ZINC000274912064 130273649 /nfs/dbraw/zinc/27/36/49/130273649.db2.gz JYFYTWMVUYQWFK-PVAVHDDUSA-N 0 3 309.406 2.463 20 10 DECDHN CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cccc(OC)c1[O-] ZINC000275593873 130345778 /nfs/dbraw/zinc/34/57/78/130345778.db2.gz PXOJRHRSWDVNSC-BBRMVZONSA-N 0 3 317.389 2.237 20 10 DECDHN O=C(N1CCCC1)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000289190977 131364287 /nfs/dbraw/zinc/36/42/87/131364287.db2.gz AVEOZYSEEWCMGP-HNNXBMFYSA-N 0 3 321.396 2.301 20 10 DECDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000273439621 292014103 /nfs/dbraw/zinc/01/41/03/292014103.db2.gz YBCPTAHUCDUOLY-CHWSQXEVSA-N 0 3 318.417 2.314 20 10 DECDHN O=C1OCC[C@@H]1CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000120529849 401993073 /nfs/dbraw/zinc/99/30/73/401993073.db2.gz AQBXFLOIKJPVES-HOCLYGCPSA-N 0 3 319.401 2.326 20 10 DECDHN O=C1OCC[C@@H]1CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000120529849 401993076 /nfs/dbraw/zinc/99/30/76/401993076.db2.gz AQBXFLOIKJPVES-HOCLYGCPSA-N 0 3 319.401 2.326 20 10 DECDHN CC[C@H]([NH2+]CCCN(C)S(=O)(=O)CC)c1ccccc1[O-] ZINC000155166003 402246740 /nfs/dbraw/zinc/24/67/40/402246740.db2.gz YHVBNEMFFXYJSZ-AWEZNQCLSA-N 0 3 314.451 2.105 20 10 DECDHN CN(C)c1ccc(CNC(=O)N(C)CCN(C)C2CC2)cc1F ZINC000185291772 402341550 /nfs/dbraw/zinc/34/15/50/402341550.db2.gz FAXJADXQPGQYJE-UHFFFAOYSA-N 0 3 322.428 2.127 20 10 DECDHN COCCN(C)CC[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000185315123 402342791 /nfs/dbraw/zinc/34/27/91/402342791.db2.gz QYUXBFCIYOJSIR-AWEZNQCLSA-N 0 3 306.450 2.500 20 10 DECDHN C[C@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H]1C ZINC000248357053 402587499 /nfs/dbraw/zinc/58/74/99/402587499.db2.gz PAVCMGJZHXCCBV-GJZGRUSLSA-N 0 3 303.450 2.441 20 10 DECDHN Cc1ccc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)c([O-])c1O ZINC000179441585 402590357 /nfs/dbraw/zinc/59/03/57/402590357.db2.gz XEOOBEKZEZEKRL-UHFFFAOYSA-N 0 3 306.406 2.399 20 10 DECDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c1 ZINC000179702424 402598339 /nfs/dbraw/zinc/59/83/39/402598339.db2.gz ZUQMULRRVLLKCA-CQSZACIVSA-N 0 3 318.417 2.139 20 10 DECDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c1 ZINC000179702424 402598340 /nfs/dbraw/zinc/59/83/40/402598340.db2.gz ZUQMULRRVLLKCA-CQSZACIVSA-N 0 3 318.417 2.139 20 10 DECDHN Cc1cc([C@@](C)(O)C[NH2+]Cc2cc3c(cc2[O-])OCO3)c(C)o1 ZINC000174440175 402741102 /nfs/dbraw/zinc/74/11/02/402741102.db2.gz AQNVARHSIUDZDA-KRWDZBQOSA-N 0 3 319.357 2.328 20 10 DECDHN C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000193158269 402767160 /nfs/dbraw/zinc/76/71/60/402767160.db2.gz UCIAJSUSIFLMDU-OLZOCXBDSA-N 0 3 318.417 2.481 20 10 DECDHN C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000193158269 402767162 /nfs/dbraw/zinc/76/71/62/402767162.db2.gz UCIAJSUSIFLMDU-OLZOCXBDSA-N 0 3 318.417 2.481 20 10 DECDHN CCOc1ccc([O-])c(C[NH2+]C[C@@H]2CCCN(C(C)=O)C2)c1 ZINC000279936464 402965686 /nfs/dbraw/zinc/96/56/86/402965686.db2.gz YMESSNGXQOPAFA-AWEZNQCLSA-N 0 3 306.406 2.139 20 10 DECDHN CCOc1ccc([O-])c(C[NH2+]C[C@H]2CCCN(C(C)=O)C2)c1 ZINC000279936469 402965853 /nfs/dbraw/zinc/96/58/53/402965853.db2.gz YMESSNGXQOPAFA-CQSZACIVSA-N 0 3 306.406 2.139 20 10 DECDHN CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000281278480 403062032 /nfs/dbraw/zinc/06/20/32/403062032.db2.gz OEWKULWNJRCMHE-GOSISDBHSA-N 0 3 321.417 2.492 20 10 DECDHN CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000281278480 403062035 /nfs/dbraw/zinc/06/20/35/403062035.db2.gz OEWKULWNJRCMHE-GOSISDBHSA-N 0 3 321.417 2.492 20 10 DECDHN Cn1ccc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000270656192 403209514 /nfs/dbraw/zinc/20/95/14/403209514.db2.gz RXUSQJUQUCBVGA-UHFFFAOYSA-N 0 3 317.408 2.415 20 10 DECDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](C)N2CCN(C)CC2)c([O-])c1 ZINC000293635025 403524712 /nfs/dbraw/zinc/52/47/12/403524712.db2.gz HTIOVIKEDSEXCT-JKSUJKDBSA-N 0 3 305.466 2.296 20 10 DECDHN Cc1cccc(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)c1[O-] ZINC000294225926 403677324 /nfs/dbraw/zinc/67/73/24/403677324.db2.gz ZBRCGWTURQBUSD-KRWDZBQOSA-N 0 3 305.418 2.358 20 10 DECDHN COc1ncc(CNCc2cc3c(cc2O)OCO3)cc1Cl ZINC000295136389 403771477 /nfs/dbraw/zinc/77/14/77/403771477.db2.gz ZBOQFXOZMLPNNJ-UHFFFAOYSA-N 0 3 322.748 2.468 20 10 DECDHN CCOc1ccc(O)c(CN2CCC[C@H](OC(=O)N(C)C)C2)c1 ZINC000294828459 403735441 /nfs/dbraw/zinc/73/54/41/403735441.db2.gz PTSFNBUCQRGGNF-HNNXBMFYSA-N 0 3 322.405 2.454 20 10 DECDHN C[C@@H](NC1CC1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000294978935 403738846 /nfs/dbraw/zinc/73/88/46/403738846.db2.gz GTROANAIMXDIRC-CZUORRHYSA-N 0 3 318.417 2.040 20 10 DECDHN CCOCc1cc(CNCC(C)(C)OCCO)ccc1OC ZINC000288497103 403755577 /nfs/dbraw/zinc/75/55/77/403755577.db2.gz RNJWEBXICOULNS-UHFFFAOYSA-N 0 3 311.422 2.109 20 10 DECDHN CN(C)c1ccc(CN[C@@H]2COc3ccccc3[C@@H]2O)cc1F ZINC000288471942 403755824 /nfs/dbraw/zinc/75/58/24/403755824.db2.gz FUVVCYLADFEAJI-QAPCUYQASA-N 0 3 316.376 2.476 20 10 DECDHN C[N@@H+]1CCC[C@@H](N2CCN(Cc3cc(Cl)ccc3[O-])CC2)C1 ZINC000367472809 405061132 /nfs/dbraw/zinc/06/11/32/405061132.db2.gz WFMLLHNNGLXXIO-MRXNPFEDSA-N 0 3 323.868 2.257 20 10 DECDHN C[N@H+]1CCC[C@@H](N2CCN(Cc3cc(Cl)ccc3[O-])CC2)C1 ZINC000367472809 405061138 /nfs/dbraw/zinc/06/11/38/405061138.db2.gz WFMLLHNNGLXXIO-MRXNPFEDSA-N 0 3 323.868 2.257 20 10 DECDHN CN(C(=O)c1cn[n-]c1[C@H]1CC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000662530472 425676526 /nfs/dbraw/zinc/67/65/26/425676526.db2.gz ATKKSQNZOSHIIM-VIFPVBQESA-N 0 3 306.316 2.041 20 10 DECDHN CC[C@@H]([NH2+]C[C@H](C)CN1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000286323389 280189578 /nfs/dbraw/zinc/18/95/78/280189578.db2.gz XQRXDSDKSRMYDR-WMLDXEAASA-N 0 3 323.456 2.456 20 10 DECDHN CCOc1ccc(N2CCN(CCCC(=O)N(C)C)CC2)cc1 ZINC001329870438 1149006775 /nfs/dbraw/zinc/00/67/75/1149006775.db2.gz LIVBIKHLFVTPLG-UHFFFAOYSA-N 0 3 319.449 2.076 20 10 DECDHN COCC1(O)CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835026923 649868248 /nfs/dbraw/zinc/86/82/48/649868248.db2.gz YYBICNPHTDBTCO-PLNGDYQASA-N 0 3 304.434 2.239 20 10 DECDHN CC(C)N(C)CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000265466778 519605886 /nfs/dbraw/zinc/60/58/86/519605886.db2.gz ZSZYJZXTISFSOM-INIZCTEOSA-N 0 3 320.433 2.240 20 10 DECDHN CC(C)N(C)CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000265466779 519606325 /nfs/dbraw/zinc/60/63/25/519606325.db2.gz ZSZYJZXTISFSOM-MRXNPFEDSA-N 0 3 320.433 2.240 20 10 DECDHN CCOc1cccc(CN2CCN(CC(C)(C)O)[C@H](C)C2)c1O ZINC000188889117 521339713 /nfs/dbraw/zinc/33/97/13/521339713.db2.gz XLMBSXAUUOYGFH-CQSZACIVSA-N 0 3 322.449 2.068 20 10 DECDHN CC[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1ccccc1[O-] ZINC000157499720 522867072 /nfs/dbraw/zinc/86/70/72/522867072.db2.gz ZTXUJQQAFCNOTH-DZGCQCFKSA-N 0 3 307.390 2.355 20 10 DECDHN O=C1N[C@H]2C[N@H+](Cc3c([O-])ccc4ccccc43)CC[C@@H]2CO1 ZINC000374229553 534800755 /nfs/dbraw/zinc/80/07/55/534800755.db2.gz KJAXJTQTUDXWTL-CJNGLKHVSA-N 0 3 312.369 2.476 20 10 DECDHN O=C1N[C@H]2C[N@@H+](Cc3c([O-])ccc4ccccc43)CC[C@@H]2CO1 ZINC000374229553 534800757 /nfs/dbraw/zinc/80/07/57/534800757.db2.gz KJAXJTQTUDXWTL-CJNGLKHVSA-N 0 3 312.369 2.476 20 10 DECDHN C[C@H](NCCOCC(F)F)c1ccc(N2CCOCC2)cc1 ZINC000189837778 525356602 /nfs/dbraw/zinc/35/66/02/525356602.db2.gz CTWJGINYKZNVDX-ZDUSSCGKSA-N 0 3 314.376 2.456 20 10 DECDHN Cc1cc(Br)cc(CN2CC[C@@](C)(O)C2)c1O ZINC000180633951 526157775 /nfs/dbraw/zinc/15/77/75/526157775.db2.gz UONZPZKGSWHVED-CYBMUJFWSA-N 0 3 300.196 2.420 20 10 DECDHN Cc1cc(C(=O)N(C)CCN(C)C)c(C)n1-c1ccccn1 ZINC000267144089 526219753 /nfs/dbraw/zinc/21/97/53/526219753.db2.gz UYSSFAHUPYONRV-UHFFFAOYSA-N 0 3 300.406 2.123 20 10 DECDHN CCO[C@@H]1C[C@@H](NCc2ccc3c(c2)CCO3)[C@@]12CCCO2 ZINC000378582557 527836731 /nfs/dbraw/zinc/83/67/31/527836731.db2.gz XLBHMPHQQGKIOU-KURKYZTESA-N 0 3 303.402 2.438 20 10 DECDHN CCC[C@](C)(N)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000272510050 535757731 /nfs/dbraw/zinc/75/77/31/535757731.db2.gz XEUCFJSCGIWYNV-KRWDZBQOSA-N 0 3 323.412 2.000 20 10 DECDHN CN(C)c1ccc(/C=C/CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1 ZINC000835051155 649871881 /nfs/dbraw/zinc/87/18/81/649871881.db2.gz WUXGBONFXLTATQ-DRKKUUBTSA-N 0 3 313.445 2.352 20 10 DECDHN Cc1cc(C)c(O)c(CN2CCN(c3ccnc(C)n3)CC2)c1 ZINC000184103029 625327157 /nfs/dbraw/zinc/32/71/57/625327157.db2.gz ARTQLKAQRNFJSI-UHFFFAOYSA-N 0 3 312.417 2.430 20 10 DECDHN [O-]c1ccc(Br)cc1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000306076736 623110177 /nfs/dbraw/zinc/11/01/77/623110177.db2.gz GNVZBSPXJRJEDF-CQSZACIVSA-N 0 3 311.223 2.340 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)C[C@H]2CCCO2)N(C)C)cc1 ZINC000891245999 623790027 /nfs/dbraw/zinc/79/00/27/623790027.db2.gz LJXQCICJVJJGKR-IAGOWNOFSA-N 0 3 319.449 2.041 20 10 DECDHN CO[C@H](C)CCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247569 623791429 /nfs/dbraw/zinc/79/14/29/623791429.db2.gz IGJHHZZLCLAZTI-PBHICJAKSA-N 0 3 321.465 2.287 20 10 DECDHN CO[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(C)C ZINC000891248354 623792509 /nfs/dbraw/zinc/79/25/09/623792509.db2.gz KYHJESYIYKCQKN-SJORKVTESA-N 0 3 321.465 2.143 20 10 DECDHN CC[C@](C)(OC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248776 623794829 /nfs/dbraw/zinc/79/48/29/623794829.db2.gz NVGYMOOFHBYYSB-WMZOPIPTSA-N 0 3 321.465 2.287 20 10 DECDHN CCCCOCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252690 623798052 /nfs/dbraw/zinc/79/80/52/623798052.db2.gz MKXUPNRPHXBCSH-KRWDZBQOSA-N 0 3 321.465 2.288 20 10 DECDHN Cc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)on1 ZINC000891251656 623798429 /nfs/dbraw/zinc/79/84/29/623798429.db2.gz DBQXUTGABYRTRX-OAHLLOKOSA-N 0 3 316.405 2.082 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCCO2)N(C)C)cc1 ZINC000891253097 623799169 /nfs/dbraw/zinc/79/91/69/623799169.db2.gz QLYSPUDUVVSWMT-SJORKVTESA-N 0 3 319.449 2.041 20 10 DECDHN CCN1CCCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001024819385 625065908 /nfs/dbraw/zinc/06/59/08/625065908.db2.gz ODLXAXPJDMGCSD-AWEZNQCLSA-N 0 3 317.393 2.453 20 10 DECDHN O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3[O-])C2)nc1 ZINC000179577860 625804712 /nfs/dbraw/zinc/80/47/12/625804712.db2.gz QDJNWTSHNDQYBV-CYBMUJFWSA-N 0 3 314.345 2.382 20 10 DECDHN O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3[O-])C2)nc1 ZINC000179577860 625804718 /nfs/dbraw/zinc/80/47/18/625804718.db2.gz QDJNWTSHNDQYBV-CYBMUJFWSA-N 0 3 314.345 2.382 20 10 DECDHN Cc1cc(N(C)C)ccc1CNC(=S)NC1CCN(C)CC1 ZINC000734383319 633368330 /nfs/dbraw/zinc/36/83/30/633368330.db2.gz CDDWUYUNDIEFEQ-UHFFFAOYSA-N 0 3 320.506 2.119 20 10 DECDHN COc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)NCC(F)(F)F)c1 ZINC000756480775 636818652 /nfs/dbraw/zinc/81/86/52/636818652.db2.gz ZOLLUTVZJFBVDS-RKDXNWHRSA-N 0 3 320.311 2.118 20 10 DECDHN COc1ccc(N(C)CCN(C)c2ccncc2CO)cc1 ZINC000894388478 636980255 /nfs/dbraw/zinc/98/02/55/636980255.db2.gz DRULXPDFXFENNN-UHFFFAOYSA-N 0 3 301.390 2.155 20 10 DECDHN CCN1CCC[C@@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])C1=O ZINC000896733320 638655725 /nfs/dbraw/zinc/65/57/25/638655725.db2.gz JOYDWETXWWRWDN-GFCCVEGCSA-N 0 3 312.797 2.155 20 10 DECDHN CCO[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2OC)[C@@]12CCCO2 ZINC000759178134 640035584 /nfs/dbraw/zinc/03/55/84/640035584.db2.gz UPGXDDPAMIPOCT-BBWFWOEESA-N 0 3 307.390 2.217 20 10 DECDHN COc1cc(Br)cc(C[NH2+]C(C)(C)[C@@H](C)O)c1[O-] ZINC000762623410 640445155 /nfs/dbraw/zinc/44/51/55/640445155.db2.gz AVHRVTLMNQIKFA-MRVPVSSYSA-N 0 3 318.211 2.412 20 10 DECDHN CCN(CC)c1ccc(CN[C@]2(CC(=O)OC)CCOC2)cc1 ZINC000766467401 640885268 /nfs/dbraw/zinc/88/52/68/640885268.db2.gz JBVMEJPRXMITIF-SFHVURJKSA-N 0 3 320.433 2.345 20 10 DECDHN c1cc(CNCc2ccc(N3CCOCC3)cc2)cc2nonc12 ZINC000897994414 640986981 /nfs/dbraw/zinc/98/69/81/640986981.db2.gz OTDXJMAWBAFWEK-UHFFFAOYSA-N 0 3 324.384 2.349 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]([C@@H]3CCOC3)C1)[C@H](O)CO2 ZINC000768461865 641085124 /nfs/dbraw/zinc/08/51/24/641085124.db2.gz GQTSOKSVXDHWBT-OGHNNQOOSA-N 0 3 319.401 2.067 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]([C@@H]3CCOC3)C1)[C@H](O)CO2 ZINC000768461865 641085126 /nfs/dbraw/zinc/08/51/26/641085126.db2.gz GQTSOKSVXDHWBT-OGHNNQOOSA-N 0 3 319.401 2.067 20 10 DECDHN CCN(Cc1ccccn1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768464204 641085214 /nfs/dbraw/zinc/08/52/14/641085214.db2.gz OLWIOAHHXWQVNC-MRXNPFEDSA-N 0 3 300.358 2.235 20 10 DECDHN CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1c([O-])cccc1OC)CC2 ZINC000769478479 641247744 /nfs/dbraw/zinc/24/77/44/641247744.db2.gz DUYIHJAAISZNGE-DLBZAZTESA-N 0 3 321.417 2.153 20 10 DECDHN COc1cccc([O-])c1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000769528274 641255720 /nfs/dbraw/zinc/25/57/20/641255720.db2.gz UCAHFPWGTITNRJ-AWEZNQCLSA-N 0 3 307.390 2.171 20 10 DECDHN COc1cccc([O-])c1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000770665583 641404340 /nfs/dbraw/zinc/40/43/40/641404340.db2.gz KIIOUBJXUPJOOM-UHFFFAOYSA-N 0 3 309.431 2.499 20 10 DECDHN COc1cccc([O-])c1C[N@H+]1CCSC2(CCOCC2)C1 ZINC000770665583 641404343 /nfs/dbraw/zinc/40/43/43/641404343.db2.gz KIIOUBJXUPJOOM-UHFFFAOYSA-N 0 3 309.431 2.499 20 10 DECDHN C[C@H]([NH2+]C[C@H]1CCN1C1CCOCC1)c1cc(F)ccc1[O-] ZINC000927104222 641629617 /nfs/dbraw/zinc/62/96/17/641629617.db2.gz KFWRHTQTNRPPER-SWLSCSKDSA-N 0 3 308.397 2.435 20 10 DECDHN C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccnn2C)c2c1c(F)ccc2[O-] ZINC000927137263 641708716 /nfs/dbraw/zinc/70/87/16/641708716.db2.gz VELPFTBTXTYOKN-UDZFHETQSA-N 0 3 305.353 2.136 20 10 DECDHN C[C@@H](NC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000773372413 641765938 /nfs/dbraw/zinc/76/59/38/641765938.db2.gz SPLYEYXNINERCT-UKRRQHHQSA-N 0 3 316.449 2.350 20 10 DECDHN C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1ccccc1[O-] ZINC000775136571 642010691 /nfs/dbraw/zinc/01/06/91/642010691.db2.gz LGPUCBZIQUQLER-ZDUSSCGKSA-N 0 3 320.414 2.021 20 10 DECDHN C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)[C@H](C)CO1 ZINC000775653257 642073592 /nfs/dbraw/zinc/07/35/92/642073592.db2.gz BJZXWZCHNCQRAN-HZPDHXFCSA-N 0 3 303.450 2.048 20 10 DECDHN COc1ccc(CNC[C@](C)(O)C(=O)OC(C)(C)C)cc1C ZINC000776520759 642180297 /nfs/dbraw/zinc/18/02/97/642180297.db2.gz QDXFQBNJIPETCF-KRWDZBQOSA-N 0 3 309.406 2.186 20 10 DECDHN C[C@@H](CCO)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000779339210 642488619 /nfs/dbraw/zinc/48/86/19/642488619.db2.gz AINJLLTXNJXJMM-SWLSCSKDSA-N 0 3 312.841 2.371 20 10 DECDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCCON)c1[O-] ZINC000902426392 643034829 /nfs/dbraw/zinc/03/48/29/643034829.db2.gz SBEFKXONAKUJOX-VIFPVBQESA-N 0 3 303.200 2.394 20 10 DECDHN COC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])[C@H]1CCCO1 ZINC000789777526 643774990 /nfs/dbraw/zinc/77/49/90/643774990.db2.gz WMMQCUSCIZVFDZ-CHWSQXEVSA-N 0 3 315.797 2.338 20 10 DECDHN COC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])[C@@H]1CCCO1 ZINC000789777529 643775083 /nfs/dbraw/zinc/77/50/83/643775083.db2.gz WMMQCUSCIZVFDZ-STQMWFEESA-N 0 3 315.797 2.338 20 10 DECDHN [O-]c1ccc(Br)cc1CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000843056345 650879166 /nfs/dbraw/zinc/87/91/66/650879166.db2.gz YLPSWGFBDRUKPJ-ZDUSSCGKSA-N 0 3 311.223 2.481 20 10 DECDHN COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC)cc2[O-])[C@@H]1C ZINC000793387275 644243842 /nfs/dbraw/zinc/24/38/42/644243842.db2.gz BQSMKGCTXBYOJM-TYNCELHUSA-N 0 3 307.390 2.468 20 10 DECDHN CNC(=O)C[C@H](NCc1cccc(OC)c1O)c1ccccc1 ZINC000795599740 644604105 /nfs/dbraw/zinc/60/41/05/644604105.db2.gz BICULPODKSDRSB-HNNXBMFYSA-N 0 3 314.385 2.368 20 10 DECDHN COc1ccc(CNC(=O)C(C)(C)N2CCCCC2)c(O)c1 ZINC000907926784 644691874 /nfs/dbraw/zinc/69/18/74/644691874.db2.gz PWMXLLWTAADSCZ-UHFFFAOYSA-N 0 3 306.406 2.282 20 10 DECDHN COC[C@@H](C)OC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000908459806 644867406 /nfs/dbraw/zinc/86/74/06/644867406.db2.gz LIMHONBWWFWYOW-CJNGLKHVSA-N 0 3 323.437 2.116 20 10 DECDHN CC(=O)c1cc(F)cc(CN2CC[C@]3(C2)CCC[NH2+]C3)c1[O-] ZINC000843380120 650962786 /nfs/dbraw/zinc/96/27/86/650962786.db2.gz PIIWGZTVMOXCOT-QGZVFWFLSA-N 0 3 306.381 2.309 20 10 DECDHN COC(=O)c1cc(CNCc2ccc(N(C)C)cc2C)cn1C ZINC000809618393 646248199 /nfs/dbraw/zinc/24/81/99/646248199.db2.gz HUQURMKGCUJPRA-UHFFFAOYSA-N 0 3 315.417 2.476 20 10 DECDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1-c1ccccn1 ZINC000813113476 646732850 /nfs/dbraw/zinc/73/28/50/646732850.db2.gz DQHYJJYTVLGWNB-NSHDSACASA-N 0 3 303.318 2.311 20 10 DECDHN Cc1cc([O-])c(CN2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c(Cl)c1 ZINC000818431498 647464808 /nfs/dbraw/zinc/46/48/08/647464808.db2.gz OLZRMHRUVIZHLR-SWLSCSKDSA-N 0 3 320.824 2.014 20 10 DECDHN [O-]c1ccccc1C[N@H+](CCN1CCOCC1)C1CCCC1 ZINC000732205079 647549791 /nfs/dbraw/zinc/54/97/91/647549791.db2.gz ZZRPKARIYDTXRB-UHFFFAOYSA-N 0 3 304.434 2.469 20 10 DECDHN [O-]c1ccccc1C[N@@H+](CCN1CCOCC1)C1CCCC1 ZINC000732205079 647549792 /nfs/dbraw/zinc/54/97/92/647549792.db2.gz ZZRPKARIYDTXRB-UHFFFAOYSA-N 0 3 304.434 2.469 20 10 DECDHN CCN(CC)c1ccc(CN(C)CCN2C(=O)CCC2=O)cc1 ZINC000917020670 647955899 /nfs/dbraw/zinc/95/58/99/647955899.db2.gz UQNOPGIVZVLPKG-UHFFFAOYSA-N 0 3 317.433 2.114 20 10 DECDHN CC(C)[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@@H](CO)C(C)C ZINC000824844812 648660629 /nfs/dbraw/zinc/66/06/29/648660629.db2.gz CZRNLXGYQKZTMJ-SUMWQHHRSA-N 0 3 309.406 2.500 20 10 DECDHN CC[C@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])C(=O)NC ZINC000825315509 648740623 /nfs/dbraw/zinc/74/06/23/648740623.db2.gz CMXHXAGKJVLNLS-NSHDSACASA-N 0 3 315.211 2.077 20 10 DECDHN C/C(=C\C(=O)N1C[C@H](N(C)C)Cc2ccccc21)c1cnccn1 ZINC000825805632 648813326 /nfs/dbraw/zinc/81/33/26/648813326.db2.gz KYBJFVSJSDLCQQ-HFQYIWAZSA-N 0 3 322.412 2.399 20 10 DECDHN COc1ccc(N2CC[C@@H](NCc3cn4cccnc4n3)C2)cc1 ZINC000826846675 648935937 /nfs/dbraw/zinc/93/59/37/648935937.db2.gz XHZPQPVAMOZLHE-CQSZACIVSA-N 0 3 323.400 2.106 20 10 DECDHN COc1ccc(N2CCCN(Cc3cccnc3N)CC2)cc1 ZINC000827468209 649039605 /nfs/dbraw/zinc/03/96/05/649039605.db2.gz OBKPYZMATLBTLC-UHFFFAOYSA-N 0 3 312.417 2.385 20 10 DECDHN Cc1cc([C@H](N)CC(=O)NCc2ccccc2O)cc(Cl)n1 ZINC000828015569 649121204 /nfs/dbraw/zinc/12/12/04/649121204.db2.gz JBKOHRALUZKJGG-CYBMUJFWSA-N 0 3 319.792 2.455 20 10 DECDHN Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCc4cccc([O-])c43)C2)cn1 ZINC000834602024 649822361 /nfs/dbraw/zinc/82/23/61/649822361.db2.gz HMWDMOMTYMCKCB-GOEBONIOSA-N 0 3 312.417 2.372 20 10 DECDHN COC(=O)[C@@H]1C[N@H+](Cc2c([O-])cccc2OC)C[C@H]1C1CC1 ZINC000846122572 651309392 /nfs/dbraw/zinc/30/93/92/651309392.db2.gz JQWIYIPKNSIOSL-QWHCGFSZSA-N 0 3 305.374 2.032 20 10 DECDHN COC(=O)[C@@H]1C[N@@H+](Cc2c([O-])cccc2OC)C[C@H]1C1CC1 ZINC000846122572 651309395 /nfs/dbraw/zinc/30/93/95/651309395.db2.gz JQWIYIPKNSIOSL-QWHCGFSZSA-N 0 3 305.374 2.032 20 10 DECDHN COc1cc(CN[C@@H](C)C(=O)N(C)C)c(O)c(C(C)(C)C)c1 ZINC000850274979 651884205 /nfs/dbraw/zinc/88/42/05/651884205.db2.gz ORHLOJLKMFOMFD-NSHDSACASA-N 0 3 308.422 2.265 20 10 DECDHN C[C@@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1cc(F)ccc1[O-] ZINC000850497947 651939708 /nfs/dbraw/zinc/93/97/08/651939708.db2.gz XHDAJWYSQCNHRP-ZPWHCFADSA-N 0 3 313.316 2.493 20 10 DECDHN C[C@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1cc(F)ccc1[O-] ZINC000850497938 651939834 /nfs/dbraw/zinc/93/98/34/651939834.db2.gz XHDAJWYSQCNHRP-FFVOIRBGSA-N 0 3 313.316 2.493 20 10 DECDHN CS[C@@H](CO)[C@@H](C)NCc1cc(F)c(N(C)C)cc1F ZINC000858143693 652264915 /nfs/dbraw/zinc/26/49/15/652264915.db2.gz RTTMPWBCXUYWNF-OTYXRUKQSA-N 0 3 304.406 2.233 20 10 DECDHN COCC[C@H](COC)NCc1cc(F)c(N(C)C)cc1F ZINC000858165336 652269561 /nfs/dbraw/zinc/26/95/61/652269561.db2.gz FTASKJBRIMUAMR-GFCCVEGCSA-N 0 3 302.365 2.172 20 10 DECDHN CN(C)c1cc(F)c(CNCC2([S@@](C)=O)CC2)cc1F ZINC000858162040 652269743 /nfs/dbraw/zinc/26/97/43/652269743.db2.gz MGEIABNMPLLXRP-HXUWFJFHSA-N 0 3 302.390 2.032 20 10 DECDHN CN(C)c1ccc(CN2CCC(N3CCOC3=O)CC2)cc1 ZINC000852720861 652444327 /nfs/dbraw/zinc/44/43/27/652444327.db2.gz XJNRWUDJHMPBAJ-UHFFFAOYSA-N 0 3 303.406 2.169 20 10 DECDHN CN(C)c1ccc(CN(C)C(=O)CN2CC3CC2(C)C3)cc1 ZINC000852786000 652456566 /nfs/dbraw/zinc/45/65/66/652456566.db2.gz SKUIYKQVPCQJSA-UHFFFAOYSA-N 0 3 301.434 2.195 20 10 DECDHN COc1ccc(O)c(CNC(=O)NC[C@@H]2CCN2C(C)(C)C)c1 ZINC000853736909 652595778 /nfs/dbraw/zinc/59/57/78/652595778.db2.gz SSVMNACZEVYXPT-ZDUSSCGKSA-N 0 3 321.421 2.073 20 10 DECDHN CN(C)c1cc(F)c(CN(C)C2(CO)CCOCC2)cc1F ZINC000862419032 686298031 /nfs/dbraw/zinc/29/80/31/686298031.db2.gz UYFPHAJYPKFJRL-UHFFFAOYSA-N 0 3 314.376 2.004 20 10 DECDHN COc1ccc(O)c([C@@H](C)NCc2[nH]nc3c2COCC3)c1 ZINC000930216634 694114150 /nfs/dbraw/zinc/11/41/50/694114150.db2.gz MKNXFTLFPROZGX-SNVBAGLBSA-N 0 3 303.362 2.047 20 10 DECDHN CC(=O)c1cc(F)cc(CN2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1[O-] ZINC000866716496 687663692 /nfs/dbraw/zinc/66/36/92/687663692.db2.gz PFXJPXDJCRWBND-WBMJQRKESA-N 0 3 306.381 2.308 20 10 DECDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874825552 689500406 /nfs/dbraw/zinc/50/04/06/689500406.db2.gz PZVJXPLQDXNALI-KGLIPLIRSA-N 0 3 315.377 2.158 20 10 DECDHN OC1CCN(c2ccc(CN3CC4(C3)CCCOC4)cc2)CC1 ZINC000877580254 690157493 /nfs/dbraw/zinc/15/74/93/690157493.db2.gz JCBUWOTZUOWGRJ-UHFFFAOYSA-N 0 3 316.445 2.260 20 10 DECDHN COC(=O)[C@]12C[C@H]1C[C@H](NCc1cc(F)c(N(C)C)cc1F)C2 ZINC000877723648 690204716 /nfs/dbraw/zinc/20/47/16/690204716.db2.gz NKXGJBWCWPZFPG-PEBVRCNWSA-N 0 3 324.371 2.462 20 10 DECDHN Cc1ccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c([O-])c1 ZINC000877807018 690236721 /nfs/dbraw/zinc/23/67/21/690236721.db2.gz NHEBXYZGINYHGL-LQDVMPOASA-N 0 3 309.431 2.146 20 10 DECDHN CC[C@@](C)(N)c1cn(Cc2cc(Cl)cc(C(C)=O)c2O)nn1 ZINC000880999303 691010748 /nfs/dbraw/zinc/01/07/48/691010748.db2.gz JZVXIPLZQLOWBX-OAHLLOKOSA-N 0 3 322.796 2.472 20 10 DECDHN CC[C@@H](N)c1cn(Cc2cc(Cl)cc(C(C)=O)c2O)nn1 ZINC000881000015 691011172 /nfs/dbraw/zinc/01/11/72/691011172.db2.gz YGCDPUBOYICCHE-GFCCVEGCSA-N 0 3 308.769 2.298 20 10 DECDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c1[O-] ZINC000896385609 693001010 /nfs/dbraw/zinc/00/10/10/693001010.db2.gz HJOIRGGIODUEHC-SNVBAGLBSA-N 0 3 313.781 2.249 20 10 DECDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C3OCCO3)C2)c1[O-] ZINC000896385609 693001011 /nfs/dbraw/zinc/00/10/11/693001011.db2.gz HJOIRGGIODUEHC-SNVBAGLBSA-N 0 3 313.781 2.249 20 10 DECDHN C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1cn(C)cn1 ZINC000926853274 693518547 /nfs/dbraw/zinc/51/85/47/693518547.db2.gz DJBOUKHQQQXULL-OAHLLOKOSA-N 0 3 313.449 2.023 20 10 DECDHN C[C@@]1(CO)CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233727364 782315145 /nfs/dbraw/zinc/31/51/45/782315145.db2.gz MIXWLWFKXPUIAZ-CYBMUJFWSA-N 0 3 305.296 2.495 20 10 DECDHN C[C@@]1(CO)CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233727364 782315154 /nfs/dbraw/zinc/31/51/54/782315154.db2.gz MIXWLWFKXPUIAZ-CYBMUJFWSA-N 0 3 305.296 2.495 20 10 DECDHN [O-]c1cc(F)c(F)cc1CN1CCN(c2cc[nH+]cc2)CC1 ZINC001142502559 780777777 /nfs/dbraw/zinc/77/77/77/780777777.db2.gz SMVWGTRQFNFUST-UHFFFAOYSA-N 0 3 305.328 2.388 20 10 DECDHN CNC(=O)NC[C@@H]1CCCCN1Cc1ccc(N(C)C)c(C)c1 ZINC001175362223 794190181 /nfs/dbraw/zinc/19/01/81/794190181.db2.gz SJFLQWPOCSASTI-INIZCTEOSA-N 0 3 318.465 2.345 20 10 DECDHN C[N@@H+]1CCC[C@H](N2CCN(Cc3ccc(Cl)cc3[O-])CC2)C1 ZINC001180262568 795267608 /nfs/dbraw/zinc/26/76/08/795267608.db2.gz ZLSHVAYXMQFTPH-INIZCTEOSA-N 0 3 323.868 2.257 20 10 DECDHN C[N@H+]1CCC[C@H](N2CCN(Cc3ccc(Cl)cc3[O-])CC2)C1 ZINC001180262568 795267611 /nfs/dbraw/zinc/26/76/11/795267611.db2.gz ZLSHVAYXMQFTPH-INIZCTEOSA-N 0 3 323.868 2.257 20 10 DECDHN CCN1CCCC[C@H]1C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001181994127 795577579 /nfs/dbraw/zinc/57/75/79/795577579.db2.gz HCZMGJWKKVQULB-HNNXBMFYSA-N 0 3 318.417 2.247 20 10 DECDHN COc1cc(CN2CC[C@@H](c3ccccn3)C2)cc(O)c1O ZINC001204345392 795704459 /nfs/dbraw/zinc/70/44/59/795704459.db2.gz QHQJSTDAOLPTKQ-CYBMUJFWSA-N 0 3 300.358 2.491 20 10 DECDHN COc1cc(C)c(C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)c([O-])c1 ZINC001182872126 795770918 /nfs/dbraw/zinc/77/09/18/795770918.db2.gz BEGMGKKYBXNXEJ-BRZCCTTDSA-N 0 3 311.447 2.489 20 10 DECDHN CCN1CCN(c2ccc(CN3CCOC[C@H]3C)cc2)CC1 ZINC001140302353 796503325 /nfs/dbraw/zinc/50/33/25/796503325.db2.gz PDEQBAMXRVONIQ-MRXNPFEDSA-N 0 3 303.450 2.049 20 10 DECDHN [O-]c1cccc(Cl)c1CN1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001140342333 796509512 /nfs/dbraw/zinc/50/95/12/796509512.db2.gz DUJHNHXJZAJINK-CYBMUJFWSA-N 0 3 310.825 2.342 20 10 DECDHN CCN(CCn1cccn1)Cc1c(O)cc(OC)cc1OC ZINC001141029355 796621299 /nfs/dbraw/zinc/62/12/99/796621299.db2.gz QTSMCZFSQVQZQN-UHFFFAOYSA-N 0 3 305.378 2.128 20 10 DECDHN CC[N@H+](CCn1cccn1)Cc1c([O-])cc(OC)cc1OC ZINC001141029355 796621300 /nfs/dbraw/zinc/62/13/00/796621300.db2.gz QTSMCZFSQVQZQN-UHFFFAOYSA-N 0 3 305.378 2.128 20 10 DECDHN CC[N@@H+](CCn1cccn1)Cc1c([O-])cc(OC)cc1OC ZINC001141029355 796621303 /nfs/dbraw/zinc/62/13/03/796621303.db2.gz QTSMCZFSQVQZQN-UHFFFAOYSA-N 0 3 305.378 2.128 20 10 DECDHN CCC1(CC)CNC(=O)[C@H]1NCc1ccc(N(C)C)c(C)c1 ZINC000933285098 800061556 /nfs/dbraw/zinc/06/15/56/800061556.db2.gz OFURZQDCENDYEF-MRXNPFEDSA-N 0 3 303.450 2.455 20 10 DECDHN O=C(c1ccco1)N1C[C@@H]2C[NH+](Cc3ccccc3[O-])C[C@H]2C1 ZINC001203552920 800077935 /nfs/dbraw/zinc/07/79/35/800077935.db2.gz VKMWMRSSICYDHF-GJZGRUSLSA-N 0 3 312.369 2.189 20 10 DECDHN CCn1ncc2c1[C@H](COC)CN(Cc1ccccc1O)C2 ZINC001203551679 800079881 /nfs/dbraw/zinc/07/98/81/800079881.db2.gz KJNVREDZZLEEKP-HNNXBMFYSA-N 0 3 301.390 2.354 20 10 DECDHN CC(=O)N1CCCC[C@]12CCC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204273702 800198079 /nfs/dbraw/zinc/19/80/79/800198079.db2.gz FWWOBMIDRDKMKO-GOSISDBHSA-N 0 3 318.417 2.465 20 10 DECDHN CC(=O)N1CCCC[C@]12CCC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204273702 800198082 /nfs/dbraw/zinc/19/80/82/800198082.db2.gz FWWOBMIDRDKMKO-GOSISDBHSA-N 0 3 318.417 2.465 20 10 DECDHN O=C1Nc2ccccc2[C@]12CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204274100 800198376 /nfs/dbraw/zinc/19/83/76/800198376.db2.gz IKSDCEYMZGNLDV-GOSISDBHSA-N 0 3 310.353 2.194 20 10 DECDHN O=C1Nc2ccccc2[C@]12CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204274100 800198379 /nfs/dbraw/zinc/19/83/79/800198379.db2.gz IKSDCEYMZGNLDV-GOSISDBHSA-N 0 3 310.353 2.194 20 10 DECDHN CN1c2ccccc2[C@]2(CC[N@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001204274977 800198592 /nfs/dbraw/zinc/19/85/92/800198592.db2.gz WFVGDUGFITVXID-LJQANCHMSA-N 0 3 324.380 2.218 20 10 DECDHN CN1c2ccccc2[C@]2(CC[N@@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001204274977 800198595 /nfs/dbraw/zinc/19/85/95/800198595.db2.gz WFVGDUGFITVXID-LJQANCHMSA-N 0 3 324.380 2.218 20 10 DECDHN CCN(CC)c1ccc(CN2CCNC[C@H](F)C2)c(OC)c1 ZINC001210579817 801425137 /nfs/dbraw/zinc/42/51/37/801425137.db2.gz AZBTUGIFYXECLP-HNNXBMFYSA-N 0 3 309.429 2.285 20 10 DECDHN COC(=O)[C@H]1CCCN(Cc2ccc(N(C)C)cc2OC)C1 ZINC001231849572 801736744 /nfs/dbraw/zinc/73/67/44/801736744.db2.gz WJRRVRPEIPFFBX-AWEZNQCLSA-N 0 3 306.406 2.146 20 10 DECDHN COc1cc(N(C)C)ccc1CN1CCC2(CCC(=O)N2)CC1 ZINC001231858761 801738162 /nfs/dbraw/zinc/73/81/62/801738162.db2.gz ZHDWUORXMOGECO-UHFFFAOYSA-N 0 3 317.433 2.006 20 10 DECDHN CCOC(=O)[C@H]1CCN(Cc2ccc(N(C)C)cc2OC)C1 ZINC001231854107 801738785 /nfs/dbraw/zinc/73/87/85/801738785.db2.gz ZEACAUVYDFKWRJ-AWEZNQCLSA-N 0 3 306.406 2.146 20 10 DECDHN CN(C)c1ccc(CN2CCN(c3ccccn3)CC2)c(O)c1 ZINC001232833595 801968162 /nfs/dbraw/zinc/96/81/62/801968162.db2.gz BDTHUUIMBMUIGN-UHFFFAOYSA-N 0 3 312.417 2.175 20 10 DECDHN O=C1c2cccc(O[C@@H]3C=CC[NH2+]C3)c2C(=O)c2cccc([O-])c21 ZINC001218332063 802169048 /nfs/dbraw/zinc/16/90/48/802169048.db2.gz BPSNEWSNHMKRDE-LLVKDONJSA-N 0 3 321.332 2.074 20 10 DECDHN O=c1cc2[nH]cnc(OC3CCN(C4CC4)CC3)c-2cc1O ZINC001233950288 802251387 /nfs/dbraw/zinc/25/13/87/802251387.db2.gz UMKAGNLRUNDVMD-UHFFFAOYSA-N 0 3 301.346 2.047 20 10 DECDHN COC(=O)C[C@@H]1C[N@H+](Cc2c(C)cc(OC)cc2[O-])C[C@H]1C ZINC001462591092 1058856577 /nfs/dbraw/zinc/85/65/77/1058856577.db2.gz NZJGIAHNVQPSME-CHWSQXEVSA-N 0 3 307.390 2.340 20 10 DECDHN COC(=O)C[C@@H]1C[N@@H+](Cc2c(C)cc(OC)cc2[O-])C[C@H]1C ZINC001462591092 1058856594 /nfs/dbraw/zinc/85/65/94/1058856594.db2.gz NZJGIAHNVQPSME-CHWSQXEVSA-N 0 3 307.390 2.340 20 10 DECDHN CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc(O)c1[O-] ZINC001472331241 1060476974 /nfs/dbraw/zinc/47/69/74/1060476974.db2.gz PQOGAGPUOONKIH-DZGCQCFKSA-N 0 3 318.417 2.433 20 10 DECDHN Cc1noc([C@@H]2OCC[C@@H]2NCc2ccc(N(C)C)c(F)c2)n1 ZINC001560550907 1075142119 /nfs/dbraw/zinc/14/21/19/1075142119.db2.gz OTFJEMQSWQDYEY-DZGCQCFKSA-N 0 3 320.368 2.203 20 10 DECDHN C[C@H]([NH2+]CC(=O)NCc1ccc(F)cc1)c1ccccc1[O-] ZINC001654532512 1079969883 /nfs/dbraw/zinc/96/98/83/1079969883.db2.gz VEBWKDKQHJDESI-LBPRGKRZSA-N 0 3 302.349 2.498 20 10 DECDHN COC(=O)/C=C/c1ccc(CNCc2ccc(OC)cc2O)o1 ZINC001659583859 1080245176 /nfs/dbraw/zinc/24/51/76/1080245176.db2.gz PEBZSNNEGZVQTR-BQYQJAHWSA-N 0 3 317.341 2.470 20 10 DECDHN COc1cc(C)c(C[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)c([O-])c1 ZINC001665036440 1080985146 /nfs/dbraw/zinc/98/51/46/1080985146.db2.gz DFEHASOSWOEKGW-JOCQHMNTSA-N 0 3 306.406 2.091 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@@H]([S@@](C)=O)C2)c1[O-] ZINC001665837438 1081089818 /nfs/dbraw/zinc/08/98/18/1081089818.db2.gz PHRMLYBXKLHYJT-FKANQGBASA-N 0 3 317.838 2.443 20 10 DECDHN O=C1CC[C@H]2[C@H](CC[N@H+]2Cc2ccccc2[O-])N1CC1CC1 ZINC001203551777 1084087917 /nfs/dbraw/zinc/08/79/17/1084087917.db2.gz NJPFLNMLOLSXIJ-HOTGVXAUSA-N 0 3 300.402 2.368 20 10 DECDHN O=C1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccccc2[O-])N1CC1CC1 ZINC001203551777 1084087929 /nfs/dbraw/zinc/08/79/29/1084087929.db2.gz NJPFLNMLOLSXIJ-HOTGVXAUSA-N 0 3 300.402 2.368 20 10 DECDHN CCN1CCN(c2ccc(O[C@H]3CCOC[C@@H]3F)cc2)CC1 ZINC001234661617 1084191962 /nfs/dbraw/zinc/19/19/62/1084191962.db2.gz VVDYVOJAVKZQCJ-IRXDYDNUSA-N 0 3 308.397 2.334 20 10 DECDHN Cc1cc(CN2CCCC23C[NH2+]C3)c([O-])cc1Br ZINC001235103847 1084312844 /nfs/dbraw/zinc/31/28/44/1084312844.db2.gz XVFKVKLHQYEOOF-UHFFFAOYSA-N 0 3 311.223 2.401 20 10 DECDHN COc1cc(O)c(CN2CC[C@H]3CCCO[C@@H]3C2)cc1OC ZINC001236750125 1138408549 /nfs/dbraw/zinc/40/85/49/1138408549.db2.gz OUWHYSFCIDAEKB-SJKOYZFVSA-N 0 3 307.390 2.410 20 10 DECDHN C[C@@H]1[C@H](CO)CCN1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236924610 1138457946 /nfs/dbraw/zinc/45/79/46/1138457946.db2.gz NOCJMNISXFMTRI-HIFRSBDPSA-N 0 3 324.852 2.379 20 10 DECDHN CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)OC)c([O-])c1 ZINC001237042729 1138485666 /nfs/dbraw/zinc/48/56/66/1138485666.db2.gz FSKZGNXSNCPDBR-VMZNBEPHSA-N 0 3 319.401 2.422 20 10 DECDHN CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)OC)c([O-])c1 ZINC001237042729 1138485669 /nfs/dbraw/zinc/48/56/69/1138485669.db2.gz FSKZGNXSNCPDBR-VMZNBEPHSA-N 0 3 319.401 2.422 20 10 DECDHN CCOc1ccc(C[NH+]2CCC(NC(=O)CC)CC2)c([O-])c1 ZINC001237042499 1138486563 /nfs/dbraw/zinc/48/65/63/1138486563.db2.gz WVPCTDDNTHHGSA-UHFFFAOYSA-N 0 3 306.406 2.282 20 10 DECDHN CN(C)C(=O)CC[N@H+](C)Cc1c([O-])cccc1OC(F)(F)F ZINC001237124008 1138509067 /nfs/dbraw/zinc/50/90/67/1138509067.db2.gz WUNQGIYSOZNYQT-UHFFFAOYSA-N 0 3 320.311 2.201 20 10 DECDHN CN(C)C(=O)CC[N@@H+](C)Cc1c([O-])cccc1OC(F)(F)F ZINC001237124008 1138509075 /nfs/dbraw/zinc/50/90/75/1138509075.db2.gz WUNQGIYSOZNYQT-UHFFFAOYSA-N 0 3 320.311 2.201 20 10 DECDHN COC(=O)CO[C@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC001237690801 1138757596 /nfs/dbraw/zinc/75/75/96/1138757596.db2.gz SUOSUJZHJXASAG-ZDUSSCGKSA-N 0 3 313.781 2.118 20 10 DECDHN COC(=O)CO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC001237690801 1138757611 /nfs/dbraw/zinc/75/76/11/1138757611.db2.gz SUOSUJZHJXASAG-ZDUSSCGKSA-N 0 3 313.781 2.118 20 10 DECDHN COC(=O)CO[C@H]1CCN(Cc2cc(Cl)cc(C)c2O)C1 ZINC001237690801 1138757623 /nfs/dbraw/zinc/75/76/23/1138757623.db2.gz SUOSUJZHJXASAG-ZDUSSCGKSA-N 0 3 313.781 2.118 20 10 DECDHN Cc1cc(F)cc(C[NH+]2CCC3(CCN(C)C3=O)CC2)c1[O-] ZINC001238067536 1138819946 /nfs/dbraw/zinc/81/99/46/1138819946.db2.gz PWNNUMXHQOHLPF-UHFFFAOYSA-N 0 3 306.381 2.284 20 10 DECDHN C[C@@H]1C[C@@H]([NH2+]CCN2CCC(CO)CC2)c2c1c(F)ccc2[O-] ZINC001320244093 1140840774 /nfs/dbraw/zinc/84/07/74/1140840774.db2.gz AIBCXBFTGXBIAW-IUODEOHRSA-N 0 3 322.424 2.374 20 10 DECDHN CC[C@H]([NH2+][C@@H](C)C(=O)NCC(F)(F)F)c1ccccc1[O-] ZINC001320713635 1140897329 /nfs/dbraw/zinc/89/73/29/1140897329.db2.gz YWCSORMRIWBDNY-ONGXEEELSA-N 0 3 304.312 2.500 20 10 DECDHN COC(=O)Cc1ccc(C[N@H+](C)CCc2cccnc2)c([O-])c1 ZINC001249208186 1141859700 /nfs/dbraw/zinc/85/97/00/1141859700.db2.gz OZVKXLOGQWFYNS-UHFFFAOYSA-N 0 3 314.385 2.177 20 10 DECDHN COC(=O)Cc1ccc(C[N@@H+](C)CCc2cccnc2)c([O-])c1 ZINC001249208186 1141859704 /nfs/dbraw/zinc/85/97/04/1141859704.db2.gz OZVKXLOGQWFYNS-UHFFFAOYSA-N 0 3 314.385 2.177 20 10 DECDHN COC(=O)Cc1ccc(CN(C)Cc2ccc(C)nc2)c(O)c1 ZINC001249214157 1141860201 /nfs/dbraw/zinc/86/02/01/1141860201.db2.gz FIPWCWMQKWBTEP-UHFFFAOYSA-N 0 3 314.385 2.443 20 10 DECDHN CN(C)C(=O)C1CN(Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249244658 1141864233 /nfs/dbraw/zinc/86/42/33/1141864233.db2.gz LDRKXXFFMDUJFP-UHFFFAOYSA-N 0 3 316.401 2.096 20 10 DECDHN CO[C@H]1CCCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001254005172 1143022511 /nfs/dbraw/zinc/02/25/11/1143022511.db2.gz TVTUSOSUWIAWJP-INIZCTEOSA-N 0 3 321.440 2.188 20 10 DECDHN CC(C)N1CCCN(c2nnc(C3SC=CC3=O)n2C)CC1 ZINC001339573658 1143056900 /nfs/dbraw/zinc/05/69/00/1143056900.db2.gz QTKLNAHSDPFWHG-UHFFFAOYSA-N 0 3 321.450 2.170 20 10 DECDHN CCOC(=O)CN1CCC([NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC001254395098 1143099755 /nfs/dbraw/zinc/09/97/55/1143099755.db2.gz CDEAIVAJPMXRGP-ZDUSSCGKSA-N 0 3 306.406 2.070 20 10 DECDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(O)cc1[O-])C2 ZINC001254574401 1143256836 /nfs/dbraw/zinc/25/68/36/1143256836.db2.gz GSZKDWJUECAEFY-ZDUSSCGKSA-N 0 3 300.314 2.263 20 10 DECDHN C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccccc1[O-] ZINC001255800361 1143807350 /nfs/dbraw/zinc/80/73/50/1143807350.db2.gz SEZGELKOGLIQPK-ZDUSSCGKSA-N 0 3 305.399 2.344 20 10 DECDHN C[C@@H](CS(=O)(=O)c1ccccc1)NCc1ccccc1O ZINC001255800361 1143807351 /nfs/dbraw/zinc/80/73/51/1143807351.db2.gz SEZGELKOGLIQPK-ZDUSSCGKSA-N 0 3 305.399 2.344 20 10 DECDHN C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])C(=O)NCC(F)(F)F ZINC001325356671 1147895665 /nfs/dbraw/zinc/89/56/65/1147895665.db2.gz KZQXTBMLGCUPLU-HTQZYQBOSA-N 0 3 308.275 2.249 20 10 DECDHN COc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c1[O-] ZINC000092706404 185334609 /nfs/dbraw/zinc/33/46/09/185334609.db2.gz JVNNZSOVOLTZRD-CQSZACIVSA-N 0 3 320.433 2.385 20 10 DECDHN COc1cccc(C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c1[O-] ZINC000092706404 185334610 /nfs/dbraw/zinc/33/46/10/185334610.db2.gz JVNNZSOVOLTZRD-CQSZACIVSA-N 0 3 320.433 2.385 20 10 DECDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c1 ZINC000092218393 193174345 /nfs/dbraw/zinc/17/43/45/193174345.db2.gz VZJCSYNTJYWLOY-MRXNPFEDSA-N 0 3 320.433 2.088 20 10 DECDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H]2CN2CCOCC2)c1 ZINC000092218393 193174346 /nfs/dbraw/zinc/17/43/46/193174346.db2.gz VZJCSYNTJYWLOY-MRXNPFEDSA-N 0 3 320.433 2.088 20 10 DECDHN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1CCCN1C ZINC000471737290 248708939 /nfs/dbraw/zinc/70/89/39/248708939.db2.gz PATBLNPASSIVRA-AWEZNQCLSA-N 0 3 314.433 2.380 20 10 DECDHN C[C@@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)N(C)C1CC1 ZINC000105269164 194090650 /nfs/dbraw/zinc/09/06/50/194090650.db2.gz XSDZUMIOCNIPNU-AWEZNQCLSA-N 0 3 318.465 2.377 20 10 DECDHN CN(C)c1ccc(CN[C@H]2CCO[C@@H]2c2nccn2C)cc1F ZINC000275648272 130353492 /nfs/dbraw/zinc/35/34/92/130353492.db2.gz UDNHXWXFGTZJOX-HOCLYGCPSA-N 0 3 318.396 2.245 20 10 DECDHN CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc(OC)ccc1[O-] ZINC000284274847 131065540 /nfs/dbraw/zinc/06/55/40/131065540.db2.gz AHQSTDLNQINEOP-CQSZACIVSA-N 0 3 306.406 2.282 20 10 DECDHN CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1cc(OC)ccc1[O-] ZINC000284274847 131065541 /nfs/dbraw/zinc/06/55/41/131065541.db2.gz AHQSTDLNQINEOP-CQSZACIVSA-N 0 3 306.406 2.282 20 10 DECDHN C[C@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@@H](O)c1ccccc1 ZINC000288549169 131330454 /nfs/dbraw/zinc/33/04/54/131330454.db2.gz LIJQTXXCTJEEOJ-APPDUMDISA-N 0 3 301.342 2.333 20 10 DECDHN [O-]c1ccc(F)cc1C[NH2+]CCn1cc(Br)cn1 ZINC000289540372 131394376 /nfs/dbraw/zinc/39/43/76/131394376.db2.gz IAHKYHWGNJGMRI-UHFFFAOYSA-N 0 3 314.158 2.280 20 10 DECDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000273439625 292013919 /nfs/dbraw/zinc/01/39/19/292013919.db2.gz YBCPTAHUCDUOLY-OLZOCXBDSA-N 0 3 318.417 2.314 20 10 DECDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000273439629 292014371 /nfs/dbraw/zinc/01/43/71/292014371.db2.gz YBCPTAHUCDUOLY-QWHCGFSZSA-N 0 3 318.417 2.314 20 10 DECDHN CCOC(=O)N1CCC([NH2+]Cc2cccc(OC)c2[O-])CC1 ZINC000076272144 401788567 /nfs/dbraw/zinc/78/85/67/401788567.db2.gz LZTPFVWZVLRIKO-UHFFFAOYSA-N 0 3 308.378 2.111 20 10 DECDHN [O-]c1ccccc1C[N@H+](CCn1ccnc1)C[C@@H]1CCCO1 ZINC000123510204 402131821 /nfs/dbraw/zinc/13/18/21/402131821.db2.gz DWNUEXNLURBWFZ-INIZCTEOSA-N 0 3 301.390 2.270 20 10 DECDHN [O-]c1ccccc1C[N@@H+](CCn1ccnc1)C[C@@H]1CCCO1 ZINC000123510204 402131823 /nfs/dbraw/zinc/13/18/23/402131823.db2.gz DWNUEXNLURBWFZ-INIZCTEOSA-N 0 3 301.390 2.270 20 10 DECDHN C[C@H]([NH2+]Cc1cccnc1N1CCOCC1)c1ccccc1[O-] ZINC000154031102 402187889 /nfs/dbraw/zinc/18/78/89/402187889.db2.gz PJWFHDVWZVAFPD-AWEZNQCLSA-N 0 3 313.401 2.475 20 10 DECDHN CN(C)c1ccc(CNC(=O)N(C)CC2CCN(C)CC2)cc1 ZINC000103503692 402191466 /nfs/dbraw/zinc/19/14/66/402191466.db2.gz WXBCVCDPQWFPOL-UHFFFAOYSA-N 0 3 318.465 2.236 20 10 DECDHN COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000184700678 402293306 /nfs/dbraw/zinc/29/33/06/402293306.db2.gz CCRCRLGNKHLFMK-HNNXBMFYSA-N 0 3 313.781 2.439 20 10 DECDHN COC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000184700678 402293308 /nfs/dbraw/zinc/29/33/08/402293308.db2.gz CCRCRLGNKHLFMK-HNNXBMFYSA-N 0 3 313.781 2.439 20 10 DECDHN COCCN(C)CC[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000185315145 402342708 /nfs/dbraw/zinc/34/27/08/402342708.db2.gz QYUXBFCIYOJSIR-CQSZACIVSA-N 0 3 306.450 2.500 20 10 DECDHN C[C@H](NCC(=O)NCC1CC1)c1cc2c(cc1O)CCCC2 ZINC000186505451 402437583 /nfs/dbraw/zinc/43/75/83/402437583.db2.gz RVHMNHIXPZAGMW-LBPRGKRZSA-N 0 3 302.418 2.448 20 10 DECDHN CCO[C@@H]1C[C@@](CO)(NCc2ccc(N(C)C)cc2)C1(C)C ZINC000186584786 402444504 /nfs/dbraw/zinc/44/45/04/402444504.db2.gz KLIKAGXIAAZVNF-AEFFLSMTSA-N 0 3 306.450 2.408 20 10 DECDHN CCO[C@H]1C[C@](CO)(NCc2ccc(N(C)C)cc2)C1(C)C ZINC000186584839 402444732 /nfs/dbraw/zinc/44/47/32/402444732.db2.gz KLIKAGXIAAZVNF-FUHWJXTLSA-N 0 3 306.450 2.408 20 10 DECDHN CCO[C@H]1C[C@@](CO)(NCc2ccc3c(c2)CCO3)C1(C)C ZINC000186594008 402445538 /nfs/dbraw/zinc/44/55/38/402445538.db2.gz IGOGJZSPVYFDFR-WMZOPIPTSA-N 0 3 305.418 2.277 20 10 DECDHN CC[C@@H](C)[C@H](N)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000178724602 402530836 /nfs/dbraw/zinc/53/08/36/402530836.db2.gz INSZTQVEIGKQRB-PBHICJAKSA-N 0 3 319.449 2.107 20 10 DECDHN O=C(c1cccc(O)c1[O-])N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000193081909 402763710 /nfs/dbraw/zinc/76/37/10/402763710.db2.gz MYSZWZQDPDJKHD-CYBMUJFWSA-N 0 3 304.390 2.188 20 10 DECDHN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)N1CCCCCC1 ZINC000183421712 402765745 /nfs/dbraw/zinc/76/57/45/402765745.db2.gz OMUYNRDVXOCOCM-KBPBESRZSA-N 0 3 320.433 2.410 20 10 DECDHN COc1cccc(C(=O)NCC[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000183462245 402769772 /nfs/dbraw/zinc/76/97/72/402769772.db2.gz CVMLCGWAYUPIBC-CYBMUJFWSA-N 0 3 314.385 2.481 20 10 DECDHN COc1ccc(CNCc2cc3c(cc2O)OCO3)cc1O ZINC000263674573 402789952 /nfs/dbraw/zinc/78/99/52/402789952.db2.gz KOLQSDUWZHHTSP-UHFFFAOYSA-N 0 3 303.314 2.125 20 10 DECDHN COc1ccc(O)c(CNCc2ccc(NC(C)=O)nc2)c1 ZINC000279322650 402930479 /nfs/dbraw/zinc/93/04/79/402930479.db2.gz BWMXLXKVQXUBSV-UHFFFAOYSA-N 0 3 301.346 2.044 20 10 DECDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000268096023 403048148 /nfs/dbraw/zinc/04/81/48/403048148.db2.gz CTSQMPAVAKGBAF-CXAGYDPISA-N 0 3 316.449 2.035 20 10 DECDHN CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000281276178 403062096 /nfs/dbraw/zinc/06/20/96/403062096.db2.gz OBYGCXQMOKDLGD-QGZVFWFLSA-N 0 3 307.390 2.184 20 10 DECDHN CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000281276178 403062098 /nfs/dbraw/zinc/06/20/98/403062098.db2.gz OBYGCXQMOKDLGD-QGZVFWFLSA-N 0 3 307.390 2.184 20 10 DECDHN CO[C@H](C)[C@H](C)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000268820721 403117390 /nfs/dbraw/zinc/11/73/90/403117390.db2.gz HONWHTRMZHRDER-QWHCGFSZSA-N 0 3 310.413 2.300 20 10 DECDHN CC[C@H](NC[C@H]1CN(C)CCN1C)c1ccc(N(C)C)cc1 ZINC000268905400 403120531 /nfs/dbraw/zinc/12/05/31/403120531.db2.gz LSMMOVHZADFFMH-ROUUACIJSA-N 0 3 304.482 2.039 20 10 DECDHN COc1ccc([O-])c(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1 ZINC000282989305 403164608 /nfs/dbraw/zinc/16/46/08/403164608.db2.gz JWESEYCFBQSZIL-SUMWQHHRSA-N 0 3 321.417 2.058 20 10 DECDHN COC(=O)[C@H]1CCN(Cc2cc(OC)c(OC)cc2O)C[C@@H]1C ZINC000276381406 403168956 /nfs/dbraw/zinc/16/89/56/403168956.db2.gz AQYKOYRKUQKWEJ-AAEUAGOBSA-N 0 3 323.389 2.040 20 10 DECDHN CCNC(=O)C1(C[NH2+]Cc2cc(OCC)ccc2[O-])CCC1 ZINC000277415898 403215478 /nfs/dbraw/zinc/21/54/78/403215478.db2.gz MAVQTHSHBDQSHD-UHFFFAOYSA-N 0 3 306.406 2.187 20 10 DECDHN C[C@H](NCc1ccc(N(C)C)c(F)c1)C(C)(C)n1cncn1 ZINC000284195614 403253151 /nfs/dbraw/zinc/25/31/51/403253151.db2.gz RWMXEBXUTFTUMG-LBPRGKRZSA-N 0 3 305.401 2.397 20 10 DECDHN CCOc1ccc([O-])c(C[NH+]2CCC(CCC(N)=O)CC2)c1 ZINC000271178509 403273808 /nfs/dbraw/zinc/27/38/08/403273808.db2.gz GWFAZURVGSDZMM-UHFFFAOYSA-N 0 3 306.406 2.268 20 10 DECDHN COc1ccc([O-])c(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)c1 ZINC000294191399 403669965 /nfs/dbraw/zinc/66/99/65/403669965.db2.gz XKMGMMAYEQTGPF-KRWDZBQOSA-N 0 3 321.417 2.058 20 10 DECDHN CCN(CC)c1ccc(CNC(=O)[C@H](C)NC2CC2)cc1F ZINC000295222177 403802044 /nfs/dbraw/zinc/80/20/44/403802044.db2.gz RBJMWKCLBWCTLE-LBPRGKRZSA-N 0 3 307.413 2.429 20 10 DECDHN [O-]c1cccc2c1[C@@H]([NH2+]C1CCN(c3cccnn3)CC1)CC2 ZINC000296314658 404190717 /nfs/dbraw/zinc/19/07/17/404190717.db2.gz FLBSKZDQDWNMJV-HNNXBMFYSA-N 0 3 310.401 2.428 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1OC ZINC000245536592 225220170 /nfs/dbraw/zinc/22/01/70/225220170.db2.gz IKCDQLQXEOJXHN-WFASDCNBSA-N 0 3 307.390 2.410 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1OC ZINC000245536592 225220173 /nfs/dbraw/zinc/22/01/73/225220173.db2.gz IKCDQLQXEOJXHN-WFASDCNBSA-N 0 3 307.390 2.410 20 10 DECDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N(C)Cc1ccccc1O ZINC000268185973 225378120 /nfs/dbraw/zinc/37/81/20/225378120.db2.gz UKVFIYAUNKHPGW-DOMZBBRYSA-N 0 3 303.406 2.016 20 10 DECDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N(C)Cc1ccccc1O ZINC000268185982 225378614 /nfs/dbraw/zinc/37/86/14/225378614.db2.gz UKVFIYAUNKHPGW-WFASDCNBSA-N 0 3 303.406 2.016 20 10 DECDHN [O-]c1ccc(F)cc1C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000369140164 227025763 /nfs/dbraw/zinc/02/57/63/227025763.db2.gz PILTXXYXQURBEU-OAHLLOKOSA-N 0 3 305.353 2.200 20 10 DECDHN O=C(c1cccc2c1CCNC2)N1CCNCc2ccccc21 ZINC000662409340 425644596 /nfs/dbraw/zinc/64/45/96/425644596.db2.gz IFKIJILFWCQGEJ-UHFFFAOYSA-N 0 3 307.397 2.082 20 10 DECDHN CC[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)N(CC)CC ZINC000273153553 280080449 /nfs/dbraw/zinc/08/04/49/280080449.db2.gz IJRVKZCLCQGZFQ-JSGCOSHPSA-N 0 3 308.422 2.265 20 10 DECDHN COc1ccc(O)c([C@@H](C)N[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 ZINC000186086063 295167412 /nfs/dbraw/zinc/16/74/12/295167412.db2.gz QKSBBOCPJXRIHC-VXGBXAGGSA-N 0 3 306.406 2.451 20 10 DECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)c1 ZINC000186086063 295167415 /nfs/dbraw/zinc/16/74/15/295167415.db2.gz QKSBBOCPJXRIHC-VXGBXAGGSA-N 0 3 306.406 2.451 20 10 DECDHN COc1ccc(O)c([C@H](C)N[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 ZINC000186086045 295168633 /nfs/dbraw/zinc/16/86/33/295168633.db2.gz QKSBBOCPJXRIHC-NWDGAFQWSA-N 0 3 306.406 2.451 20 10 DECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)c1 ZINC000186086045 295168636 /nfs/dbraw/zinc/16/86/36/295168636.db2.gz QKSBBOCPJXRIHC-NWDGAFQWSA-N 0 3 306.406 2.451 20 10 DECDHN CN(CCCNC(=O)Cc1ccc(N)cc1)Cc1ccccc1 ZINC000237068599 522760235 /nfs/dbraw/zinc/76/02/35/522760235.db2.gz CGWMFXWBNAAGLV-UHFFFAOYSA-N 0 3 311.429 2.450 20 10 DECDHN CC[C@@H]([NH2+]C1CCN(C(=O)CCOC)CC1)c1ccccc1[O-] ZINC000156765104 522807608 /nfs/dbraw/zinc/80/76/08/522807608.db2.gz ZBELJKICROPZQU-MRXNPFEDSA-N 0 3 320.433 2.460 20 10 DECDHN COC(=O)CC1(NCc2ccc(OC)c(C)c2)CCOCC1 ZINC000268035178 522934438 /nfs/dbraw/zinc/93/44/38/522934438.db2.gz LZBHRLVCIABJRX-UHFFFAOYSA-N 0 3 307.390 2.206 20 10 DECDHN C[C@H]1CN(CC(C)(C)O)CCN1Cc1ccc(N(C)C)cc1 ZINC000188747671 524584841 /nfs/dbraw/zinc/58/48/41/524584841.db2.gz LGTQZYTZAIWYGV-HNNXBMFYSA-N 0 3 305.466 2.030 20 10 DECDHN C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccccc1[O-] ZINC000179902944 525683985 /nfs/dbraw/zinc/68/39/85/525683985.db2.gz SPWJOCOBSIPEDO-KOLCDFICSA-N 0 3 302.296 2.206 20 10 DECDHN O=C(c1cccc(O)c1[O-])N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000189525678 526771702 /nfs/dbraw/zinc/77/17/02/526771702.db2.gz DYCUUAPCTYIUCV-DOMZBBRYSA-N 0 3 316.401 2.187 20 10 DECDHN O=C(c1cccc(O)c1[O-])N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000189525678 526771710 /nfs/dbraw/zinc/77/17/10/526771710.db2.gz DYCUUAPCTYIUCV-DOMZBBRYSA-N 0 3 316.401 2.187 20 10 DECDHN CCO[C@@H]1C[C@H](NCc2ccc3c(c2)CCO3)[C@@]12CCCO2 ZINC000378582556 527944398 /nfs/dbraw/zinc/94/43/98/527944398.db2.gz XLBHMPHQQGKIOU-KSZLIROESA-N 0 3 303.402 2.438 20 10 DECDHN COc1cc([O-])c(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)cc1OC ZINC000273123680 536857233 /nfs/dbraw/zinc/85/72/33/536857233.db2.gz ADEXIUFTQFEOOL-IAGOWNOFSA-N 0 3 307.390 2.457 20 10 DECDHN CNC(=O)C1(NC/C=C/c2ccc(N(C)C)cc2)CCCC1 ZINC000835046320 649871388 /nfs/dbraw/zinc/87/13/88/649871388.db2.gz QNCPHZKRPXOBNB-VOTSOKGWSA-N 0 3 301.434 2.414 20 10 DECDHN CN(C)c1ccc(/C=C/CN(C)[C@H]2CCN3CCO[C@H]2C3)cc1 ZINC000835054997 649873044 /nfs/dbraw/zinc/87/30/44/649873044.db2.gz PBTBCTFMTXXJJQ-OJBOGMDESA-N 0 3 315.461 2.171 20 10 DECDHN CCOc1ccc(C[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)c([O-])c1 ZINC000835075037 649875936 /nfs/dbraw/zinc/87/59/36/649875936.db2.gz UUOSQJDWCCEJJV-DZGCQCFKSA-N 0 3 304.390 2.034 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CC23CC3)N(C)C)cc1 ZINC000891246267 623790302 /nfs/dbraw/zinc/79/03/02/623790302.db2.gz BPUXQDBEYCOKPD-HZPDHXFCSA-N 0 3 301.434 2.272 20 10 DECDHN CCC[C@@](C)(O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251066 623797705 /nfs/dbraw/zinc/79/77/05/623797705.db2.gz CUXVOBBFESLMRC-SJLPKXTDSA-N 0 3 321.465 2.023 20 10 DECDHN Cc1cc(N(C)C)ccc1CNCc1cnc2n1CCOC2 ZINC000921746926 634833557 /nfs/dbraw/zinc/83/35/57/634833557.db2.gz OUOKBZUJKCEQGX-UHFFFAOYSA-N 0 3 300.406 2.078 20 10 DECDHN COc1ccc(CN2CCC(O)(C(F)F)CC2)c(O)c1OC ZINC000893715102 635988576 /nfs/dbraw/zinc/98/85/76/635988576.db2.gz BZYVZNCFTQVDJC-UHFFFAOYSA-N 0 3 317.332 2.001 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)NCCCCF)N(C)C)cc1 ZINC000894996821 637369787 /nfs/dbraw/zinc/36/97/87/637369787.db2.gz ICYCLPYCTXEEJY-MRXNPFEDSA-N 0 3 324.444 2.404 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)NOC2CCC2)N(C)C)cc1 ZINC000895136423 637645737 /nfs/dbraw/zinc/64/57/37/637645737.db2.gz UYZJISNAWGUFQL-MRXNPFEDSA-N 0 3 320.437 2.139 20 10 DECDHN COc1cccc(O)c1CNCc1ccc([S@@](C)=O)cc1 ZINC000751154526 639061854 /nfs/dbraw/zinc/06/18/54/639061854.db2.gz WYPORZGIPSFIDF-OAQYLSRUSA-N 0 3 305.399 2.428 20 10 DECDHN C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cnn(C)c2)c2c1c(F)ccc2[O-] ZINC000756608436 639678953 /nfs/dbraw/zinc/67/89/53/639678953.db2.gz BMJHMLHMOWVIMU-LQJRIPTKSA-N 0 3 305.353 2.136 20 10 DECDHN C[C@H]1C[C@H]([NH2+]Cc2ccc(C(N)=O)nc2)c2c1c(F)ccc2[O-] ZINC000756641829 639680784 /nfs/dbraw/zinc/68/07/84/639680784.db2.gz YLUXRAKTJSWGBG-ZANVPECISA-N 0 3 315.348 2.363 20 10 DECDHN COCCOCCC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000228670049 639790551 /nfs/dbraw/zinc/79/05/51/639790551.db2.gz DQNMVLVDTKZSAO-UHFFFAOYSA-N 0 3 303.786 2.197 20 10 DECDHN COc1cc(Br)cc(C[NH2+]C(C)(C)[C@H](C)O)c1[O-] ZINC000762623413 640445284 /nfs/dbraw/zinc/44/52/84/640445284.db2.gz AVHRVTLMNQIKFA-QMMMGPOBSA-N 0 3 318.211 2.412 20 10 DECDHN C[C@H]1NCCN(C(=O)NCCCSc2nccs2)[C@H]1C ZINC000841856399 650581425 /nfs/dbraw/zinc/58/14/25/650581425.db2.gz JETHIAZYXNSTCN-MNOVXSKESA-N 0 3 314.480 2.017 20 10 DECDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000925313809 640811904 /nfs/dbraw/zinc/81/19/04/640811904.db2.gz PNVPMXDJSIVUEZ-YOEHRIQHSA-N 0 3 318.465 2.377 20 10 DECDHN COc1ccc(N2CCCN(Cc3cnn(C)c3C)CC2)cc1 ZINC000766019192 640840208 /nfs/dbraw/zinc/84/02/08/640840208.db2.gz RZCKTPXAWZKMPQ-UHFFFAOYSA-N 0 3 314.433 2.449 20 10 DECDHN C[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCC[NH2+]C1 ZINC000841034881 640884031 /nfs/dbraw/zinc/88/40/31/640884031.db2.gz XVSDZAVWCXWNAU-UWVGGRQHSA-N 0 3 313.785 2.432 20 10 DECDHN COC(=O)C[C@]1([NH2+]Cc2cc(Cl)cc(C)c2[O-])CCOC1 ZINC000768538400 641094911 /nfs/dbraw/zinc/09/49/11/641094911.db2.gz ZWPDHDYJPFDTLO-OAHLLOKOSA-N 0 3 313.781 2.166 20 10 DECDHN CCOc1ccc(C[NH2+]C[C@@H](CO)Cc2ccco2)c([O-])c1 ZINC000768840564 641132898 /nfs/dbraw/zinc/13/28/98/641132898.db2.gz FZBSJZOWUMEOKC-ZDUSSCGKSA-N 0 3 305.374 2.325 20 10 DECDHN C[C@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899101671 641934664 /nfs/dbraw/zinc/93/46/64/641934664.db2.gz KJKMBIQSJHPEMX-YOEHRIQHSA-N 0 3 318.465 2.407 20 10 DECDHN COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000775997876 642121508 /nfs/dbraw/zinc/12/15/08/642121508.db2.gz DKVFAJOGXABCBT-NWDGAFQWSA-N 0 3 310.369 2.488 20 10 DECDHN CC(C)CNC(=S)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899725475 642150742 /nfs/dbraw/zinc/15/07/42/642150742.db2.gz WCOSCZPDONMEBT-INIZCTEOSA-N 0 3 322.522 2.475 20 10 DECDHN CC(C)(C)c1cc(O)c(O)c(CN2CC[C@@H](n3cncn3)C2)c1 ZINC000776774976 642206804 /nfs/dbraw/zinc/20/68/04/642206804.db2.gz NNSRSRLPIJZWTK-CQSZACIVSA-N 0 3 316.405 2.434 20 10 DECDHN Cn1cc([C@@]2(C[NH2+][C@H]3CCc4cccc([O-])c43)CCCO2)cn1 ZINC000903359041 643326309 /nfs/dbraw/zinc/32/63/09/643326309.db2.gz CGORPFRLKRCNAO-YJBOKZPZSA-N 0 3 313.401 2.409 20 10 DECDHN C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ncc[nH]1 ZINC000903448191 643354800 /nfs/dbraw/zinc/35/48/00/643354800.db2.gz LWAOQEKCENEUQK-CZUORRHYSA-N 0 3 301.438 2.429 20 10 DECDHN CC(=O)c1cc(F)cc(CN2CCC[C@H]3CC[C@]32C[NH3+])c1[O-] ZINC000903796072 643465558 /nfs/dbraw/zinc/46/55/58/643465558.db2.gz RYRJEPUCPZDXBO-GUYCJALGSA-N 0 3 306.381 2.437 20 10 DECDHN COc1cccc(CNC(=O)C(C)(C)N2CCCCC2)c1O ZINC000907061686 644433360 /nfs/dbraw/zinc/43/33/60/644433360.db2.gz XSRBKZLKIQTGGP-UHFFFAOYSA-N 0 3 306.406 2.282 20 10 DECDHN Oc1ccc(-c2ccccc2)cc1CN1CC(N2CC[C@@H](O)C2)C1 ZINC000843422764 650971736 /nfs/dbraw/zinc/97/17/36/650971736.db2.gz XHQZCCHMUBFMHB-LJQANCHMSA-N 0 3 324.424 2.310 20 10 DECDHN CCN1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](C)C1 ZINC000910268419 645377675 /nfs/dbraw/zinc/37/76/75/645377675.db2.gz WWCWFIHSQKRKPU-LBPRGKRZSA-N 0 3 317.393 2.405 20 10 DECDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC(=O)NCC ZINC000801595318 645421458 /nfs/dbraw/zinc/42/14/58/645421458.db2.gz LTUGTOONEQILGZ-CYBMUJFWSA-N 0 3 321.421 2.229 20 10 DECDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC(=O)NCC ZINC000801595318 645421463 /nfs/dbraw/zinc/42/14/63/645421463.db2.gz LTUGTOONEQILGZ-CYBMUJFWSA-N 0 3 321.421 2.229 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCC[C@H](OCCOC)C2)c([O-])c1 ZINC000802653029 645539577 /nfs/dbraw/zinc/53/95/77/645539577.db2.gz NKWMCRNUPXUHCV-INIZCTEOSA-N 0 3 309.406 2.418 20 10 DECDHN CCOc1ccc(C[N@H+]2CCC[C@H](OCCOC)C2)c([O-])c1 ZINC000802653029 645539579 /nfs/dbraw/zinc/53/95/79/645539579.db2.gz NKWMCRNUPXUHCV-INIZCTEOSA-N 0 3 309.406 2.418 20 10 DECDHN CCOc1ccc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c([O-])c1 ZINC000809700713 646266235 /nfs/dbraw/zinc/26/62/35/646266235.db2.gz MZZIYBHJWDVJQI-GOEBONIOSA-N 0 3 320.433 2.086 20 10 DECDHN CCOc1ccc(C[N@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c([O-])c1 ZINC000809700713 646266244 /nfs/dbraw/zinc/26/62/44/646266244.db2.gz MZZIYBHJWDVJQI-GOEBONIOSA-N 0 3 320.433 2.086 20 10 DECDHN CS(=O)(=O)c1ccc(C[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000226587819 646579957 /nfs/dbraw/zinc/57/99/57/646579957.db2.gz QDALJKJJFIVDBQ-UHFFFAOYSA-N 0 3 309.362 2.225 20 10 DECDHN Cc1cc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)c(C)n1-c1ccccn1 ZINC000814143682 646853970 /nfs/dbraw/zinc/85/39/70/646853970.db2.gz AVPHCASZTSPLFZ-RDJZCZTQSA-N 0 3 324.428 2.265 20 10 DECDHN Cc1cc(CN2CCC[C@@H](N3CCNC3=O)C2)ccc1N(C)C ZINC000815048125 646959813 /nfs/dbraw/zinc/95/98/13/646959813.db2.gz JLKGLKDADWKTGO-MRXNPFEDSA-N 0 3 316.449 2.051 20 10 DECDHN CCO[C@@H]1C[C@H](NCc2ccc3c(c2)CCO3)[C@@H]1n1cccn1 ZINC000815166921 646982875 /nfs/dbraw/zinc/98/28/75/646982875.db2.gz MKFVWFRKMWLZRB-JQHSSLGASA-N 0 3 313.401 2.326 20 10 DECDHN Cc1cc(C)c([C@@H](C)[NH2+]CC2CCS(=O)(=O)CC2)c([O-])c1 ZINC000815598846 647034413 /nfs/dbraw/zinc/03/44/13/647034413.db2.gz DUIMBZFKBCTDIA-CYBMUJFWSA-N 0 3 311.447 2.484 20 10 DECDHN CCOc1ccc(O)c(CN2CCC(OC(=O)N(C)C)CC2)c1 ZINC000816654768 647163720 /nfs/dbraw/zinc/16/37/20/647163720.db2.gz XGFHOJISKMMZPV-UHFFFAOYSA-N 0 3 322.405 2.454 20 10 DECDHN OCCN1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000033882924 648200348 /nfs/dbraw/zinc/20/03/48/648200348.db2.gz SLMYWOCLHRDYQX-UHFFFAOYSA-N 0 3 312.413 2.169 20 10 DECDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CC[C@@H](C)S(=O)(=O)C2)c1[O-] ZINC000827173294 648986419 /nfs/dbraw/zinc/98/64/19/648986419.db2.gz WEYVXRKNDQUYBM-MFKMUULPSA-N 0 3 317.838 2.409 20 10 DECDHN O=CN1CCCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000827878063 649098639 /nfs/dbraw/zinc/09/86/39/649098639.db2.gz ZRHKRFJXYVPIED-UHFFFAOYSA-N 0 3 301.434 2.341 20 10 DECDHN Cc1cc(Br)cc(C[N@@H+](C)C2(CO)CC2)c1[O-] ZINC000827903190 649102543 /nfs/dbraw/zinc/10/25/43/649102543.db2.gz FDUCPOQWEOJGOY-UHFFFAOYSA-N 0 3 300.196 2.420 20 10 DECDHN Cc1cc(Br)cc(C[N@H+](C)C2(CO)CC2)c1[O-] ZINC000827903190 649102545 /nfs/dbraw/zinc/10/25/45/649102545.db2.gz FDUCPOQWEOJGOY-UHFFFAOYSA-N 0 3 300.196 2.420 20 10 DECDHN Cc1cc(CN2CC[C@@H](NC(N)=O)C2)ccc1N1CCCCC1 ZINC000828564238 649196740 /nfs/dbraw/zinc/19/67/40/649196740.db2.gz NWWDBXAKJWWMQL-MRXNPFEDSA-N 0 3 316.449 2.228 20 10 DECDHN COC(=O)N1CCC(C[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000834798437 649847485 /nfs/dbraw/zinc/84/74/85/649847485.db2.gz FOWQOEZAVKUTAM-CQSZACIVSA-N 0 3 304.390 2.448 20 10 DECDHN COc1ccc(N(C)CCN(C)Cc2ccc(N)nc2)cc1 ZINC000844902909 651180982 /nfs/dbraw/zinc/18/09/82/651180982.db2.gz XCPXNLCOCQNPSK-UHFFFAOYSA-N 0 3 300.406 2.241 20 10 DECDHN CSC[C@](C)(O)CNCc1cc(F)c(N(C)C)cc1F ZINC000858142967 652263785 /nfs/dbraw/zinc/26/37/85/652263785.db2.gz BSAVFWCLCOFWSC-CQSZACIVSA-N 0 3 304.406 2.234 20 10 DECDHN C[C@H](CC[S@@](C)=O)NCc1cc(F)c(N(C)C)cc1F ZINC000858149603 652267130 /nfs/dbraw/zinc/26/71/30/652267130.db2.gz PNWDGZIYXCMTNJ-CFMSYZGJSA-N 0 3 304.406 2.278 20 10 DECDHN CN(C)c1cc(F)c(CNCC[C@@]2(O)CCCOC2)cc1F ZINC000858184229 652273789 /nfs/dbraw/zinc/27/37/89/652273789.db2.gz NPZNQMTVBIYYIY-INIZCTEOSA-N 0 3 314.376 2.052 20 10 DECDHN COc1cc(CN[C@@H](C)C(=O)N(C)OC)c(O)c(C(C)(C)C)c1 ZINC000858319689 652304139 /nfs/dbraw/zinc/30/41/39/652304139.db2.gz POGWNOLUMOTMFG-NSHDSACASA-N 0 3 324.421 2.196 20 10 DECDHN COc1ccc(N(C)CCN(C)C[C@H](O)c2ccccn2)cc1 ZINC000852210893 652364305 /nfs/dbraw/zinc/36/43/05/652364305.db2.gz BVUQUALTDLWQTK-SFHVURJKSA-N 0 3 315.417 2.192 20 10 DECDHN COc1ccc2c(c1)C[C@@H](C(C)C)CN2C[C@@H]1CNCCO1 ZINC000852751879 652449425 /nfs/dbraw/zinc/44/94/25/652449425.db2.gz JHTRKKONRQNTBY-WBVHZDCISA-N 0 3 304.434 2.318 20 10 DECDHN CC[C@H](C(=O)NCc1ccc(N2CCSCC2)cc1)N(C)C ZINC000126444533 684154663 /nfs/dbraw/zinc/15/46/63/684154663.db2.gz YACUHVRGCJCWOQ-MRXNPFEDSA-N 0 3 321.490 2.196 20 10 DECDHN COC(=O)c1ccc([O-])c([C@@H](C)N[C@H]2CC[NH2+]C23CCC3)c1 ZINC000863541235 686518145 /nfs/dbraw/zinc/51/81/45/686518145.db2.gz HPOMYOHJHQIZCN-ABAIWWIYSA-N 0 3 304.390 2.114 20 10 DECDHN CCO[C@@H]1C[C@@](N)(C(=O)N[C@H](C)c2ccccc2O)C1(C)C ZINC000870988721 688704874 /nfs/dbraw/zinc/70/48/74/688704874.db2.gz XUJGFGZDDDFKJU-JDSLSITLSA-N 0 3 306.406 2.102 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H]3CSC[C@@H]3C1)[C@@H](O)CO2 ZINC000872721480 689074333 /nfs/dbraw/zinc/07/43/33/689074333.db2.gz JDPJRALDKJUNJM-GMXABZIVSA-N 0 3 307.415 2.003 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H]3CSC[C@@H]3C1)[C@@H](O)CO2 ZINC000872721480 689074336 /nfs/dbraw/zinc/07/43/36/689074336.db2.gz JDPJRALDKJUNJM-GMXABZIVSA-N 0 3 307.415 2.003 20 10 DECDHN Cc1cc(Br)c([O-])c(CN2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000873215809 689185923 /nfs/dbraw/zinc/18/59/23/689185923.db2.gz HOWWHGMFXTXUHF-CMPLNLGQSA-N 0 3 313.239 2.490 20 10 DECDHN CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CN2CCC1CC2 ZINC000874457308 689418258 /nfs/dbraw/zinc/41/82/58/689418258.db2.gz SNLPDXLLEJSODM-CQSZACIVSA-N 0 3 315.377 2.015 20 10 DECDHN Cc1ccc(C[NH2+]C[C@H](O)COc2ccc(F)cc2)c([O-])c1 ZINC000876971542 689986816 /nfs/dbraw/zinc/98/68/16/689986816.db2.gz JMVUDMDVXGYPGY-HNNXBMFYSA-N 0 3 305.349 2.369 20 10 DECDHN OC1CCN(c2ccc(CN3CCOCC4(CC4)C3)cc2)CC1 ZINC000877194245 690042523 /nfs/dbraw/zinc/04/25/23/690042523.db2.gz FGBJTBCUQBUOKI-UHFFFAOYSA-N 0 3 316.445 2.260 20 10 DECDHN COC(=O)c1[nH]c(CNCc2cccc(OC)c2O)cc1C ZINC000877527437 690141396 /nfs/dbraw/zinc/14/13/96/690141396.db2.gz ZUPKSGFCMIAWMK-UHFFFAOYSA-N 0 3 304.346 2.114 20 10 DECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1 ZINC000877576722 690156643 /nfs/dbraw/zinc/15/66/43/690156643.db2.gz OTLKSWUYIJZKDY-CZUORRHYSA-N 0 3 301.390 2.444 20 10 DECDHN CN1CCN(C2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)CC1 ZINC000877746128 690213353 /nfs/dbraw/zinc/21/33/53/690213353.db2.gz ISSBKNXDLYDKRR-UHFFFAOYSA-N 0 3 323.868 2.257 20 10 DECDHN COc1cc(O)c(CN[C@@H]2CCCn3nccc32)cc1OC ZINC000877778821 690225173 /nfs/dbraw/zinc/22/51/73/690225173.db2.gz UXHBNIUMMPHJQX-GFCCVEGCSA-N 0 3 303.362 2.231 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]CCC[C@H]2CCOC2=O)c1[O-] ZINC000877808303 690237136 /nfs/dbraw/zinc/23/71/36/690237136.db2.gz XXVBVHHMCCMLOD-JTQLQIEISA-N 0 3 313.781 2.487 20 10 DECDHN COc1ccc(N2CCN(CC[C@H]3CCCO3)CC2)c(OC)c1 ZINC000879462312 690646598 /nfs/dbraw/zinc/64/65/98/690646598.db2.gz NZVHCDYNNMAOIO-OAHLLOKOSA-N 0 3 320.433 2.395 20 10 DECDHN C[C@@H]([NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000879649391 690699458 /nfs/dbraw/zinc/69/94/58/690699458.db2.gz PQUCZLGDNXZEDL-PXAZEXFGSA-N 0 3 324.421 2.319 20 10 DECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](O)c2ccnn2C)c1[O-] ZINC000927132729 693558900 /nfs/dbraw/zinc/55/89/00/693558900.db2.gz WPYCSBHRKOWIPN-HZMBPMFUSA-N 0 3 309.797 2.472 20 10 DECDHN CC[C@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1ccc(C)cc1[O-] ZINC000927147575 693561102 /nfs/dbraw/zinc/56/11/02/693561102.db2.gz SVCKAWVTDKZTKF-JSGCOSHPSA-N 0 3 300.406 2.427 20 10 DECDHN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CCCCN1C ZINC001346958822 1151034143 /nfs/dbraw/zinc/03/41/43/1151034143.db2.gz XIRDTAXLSCGHAC-QGZVFWFLSA-N 0 3 318.465 2.345 20 10 DECDHN CN(C)c1ccc(CNCc2ccc3c(c2)nnn3C)cc1F ZINC001177553928 794690707 /nfs/dbraw/zinc/69/07/07/794690707.db2.gz GFRWRSGGXXZTED-UHFFFAOYSA-N 0 3 313.380 2.463 20 10 DECDHN CN(CCN1CCCC1=O)Cc1ccc(N2CCCC2)cc1 ZINC001116444684 794957125 /nfs/dbraw/zinc/95/71/25/794957125.db2.gz DAOUNZSJABNQIG-UHFFFAOYSA-N 0 3 301.434 2.341 20 10 DECDHN C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(N)cc1 ZINC001120262845 795431742 /nfs/dbraw/zinc/43/17/42/795431742.db2.gz FPPGOMXLBCTGBI-LBPRGKRZSA-N 0 3 319.430 2.109 20 10 DECDHN COc1cc(CN2CCC3(C[C@H]3CCO)CC2)cc(O)c1O ZINC001204342919 795687933 /nfs/dbraw/zinc/68/79/33/795687933.db2.gz OPFYBOBQRKLIJZ-CYBMUJFWSA-N 0 3 307.390 2.091 20 10 DECDHN Oc1cc(OCc2ccccc2)ccc1CNCc1cn[nH]n1 ZINC001183036166 795793440 /nfs/dbraw/zinc/79/34/40/795793440.db2.gz OSJURHFYDABLTL-UHFFFAOYSA-N 0 3 310.357 2.379 20 10 DECDHN C[C@@]1(O)COCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138215418 796184177 /nfs/dbraw/zinc/18/41/77/796184177.db2.gz FBOSDCOKRAFLKP-SFHVURJKSA-N 0 3 304.434 2.260 20 10 DECDHN CCN(CC)c1ccc(CN(C)CCC(=O)N(C)C)c(OC)c1 ZINC001138389266 796211243 /nfs/dbraw/zinc/21/12/43/796211243.db2.gz HTJWIWNEGRDVQO-UHFFFAOYSA-N 0 3 321.465 2.452 20 10 DECDHN CCN1CCN(c2ccc(CN3CCC(=O)[C@H](C)C3)cc2)CC1 ZINC001140302668 796503371 /nfs/dbraw/zinc/50/33/71/796503371.db2.gz XCOFCUWOEAYMJR-MRXNPFEDSA-N 0 3 315.461 2.239 20 10 DECDHN CCO[C@@H]1C[C@H]2CN(Cc3c([O-])cccc3Cl)CC[N@@H+]2C1 ZINC001140340685 796509761 /nfs/dbraw/zinc/50/97/61/796509761.db2.gz ZYOMLYWVWSAUFA-QWHCGFSZSA-N 0 3 310.825 2.341 20 10 DECDHN CCO[C@@H]1C[C@H]2CN(Cc3c([O-])cccc3Cl)CC[N@H+]2C1 ZINC001140340685 796509765 /nfs/dbraw/zinc/50/97/65/796509765.db2.gz ZYOMLYWVWSAUFA-QWHCGFSZSA-N 0 3 310.825 2.341 20 10 DECDHN Fc1cc(N2CCOCC2)ccc1CN1CC[C@@H]2COC[C@@H]2C1 ZINC001140660389 796551944 /nfs/dbraw/zinc/55/19/44/796551944.db2.gz QHNXTORZULUNRA-CVEARBPZSA-N 0 3 320.408 2.131 20 10 DECDHN C[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2F)[C@@H]1CO ZINC001140660539 796552087 /nfs/dbraw/zinc/55/20/87/796552087.db2.gz VMRCTPFMJBHTSB-KBXCAEBGSA-N 0 3 322.424 2.255 20 10 DECDHN CCCN1CCN(Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140663434 796553004 /nfs/dbraw/zinc/55/30/04/796553004.db2.gz DTAPTOXGLWTMHC-UHFFFAOYSA-N 0 3 321.440 2.190 20 10 DECDHN CC[N@H+](CCCC(=O)OC)Cc1c([O-])cc(OC)cc1OC ZINC001141032222 796622025 /nfs/dbraw/zinc/62/20/25/796622025.db2.gz WMRPIPULNLTSSK-UHFFFAOYSA-N 0 3 311.378 2.185 20 10 DECDHN CC[N@@H+](CCCC(=O)OC)Cc1c([O-])cc(OC)cc1OC ZINC001141032222 796622027 /nfs/dbraw/zinc/62/20/27/796622027.db2.gz WMRPIPULNLTSSK-UHFFFAOYSA-N 0 3 311.378 2.185 20 10 DECDHN CC(C)C(=O)N(C)C1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141162191 796643196 /nfs/dbraw/zinc/64/31/96/796643196.db2.gz LYGHNSJLMFLLGR-UHFFFAOYSA-N 0 3 306.406 2.177 20 10 DECDHN C[C@@H]1CN(Cc2cc(O)ccc2O)C[C@@H]1NC(=O)OC(C)(C)C ZINC001141161773 796643230 /nfs/dbraw/zinc/64/32/30/796643230.db2.gz XNXNPGZOYKSKAJ-RISCZKNCSA-N 0 3 322.405 2.443 20 10 DECDHN CC(C)(C)OC(=O)N[C@]12C[C@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC001203550185 800077129 /nfs/dbraw/zinc/07/71/29/800077129.db2.gz KOZKCTNIMQYETI-GUYCJALGSA-N 0 3 304.390 2.491 20 10 DECDHN CC(C)(C)OC(=O)N[C@]12C[C@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC001203550185 800077138 /nfs/dbraw/zinc/07/71/38/800077138.db2.gz KOZKCTNIMQYETI-GUYCJALGSA-N 0 3 304.390 2.491 20 10 DECDHN COc1ccc(C[N@@H+]2CC[C@H](Oc3nccc(C)n3)C2)c([O-])c1 ZINC001203635189 800097670 /nfs/dbraw/zinc/09/76/70/800097670.db2.gz OAQAIQXHNPJGIW-HNNXBMFYSA-N 0 3 315.373 2.153 20 10 DECDHN COc1ccc(C[N@H+]2CC[C@H](Oc3nccc(C)n3)C2)c([O-])c1 ZINC001203635189 800097681 /nfs/dbraw/zinc/09/76/81/800097681.db2.gz OAQAIQXHNPJGIW-HNNXBMFYSA-N 0 3 315.373 2.153 20 10 DECDHN CCN(CC)c1ccc(CN2CCC[C@H](NC(=O)NC)C2)cc1 ZINC001203945782 800149825 /nfs/dbraw/zinc/14/98/25/800149825.db2.gz ODUPXZHBJJTZFK-INIZCTEOSA-N 0 3 318.465 2.426 20 10 DECDHN CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204272611 800198236 /nfs/dbraw/zinc/19/82/36/800198236.db2.gz RJRRUPOVUBNEQX-AWEZNQCLSA-N 0 3 306.406 2.178 20 10 DECDHN CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204272611 800198239 /nfs/dbraw/zinc/19/82/39/800198239.db2.gz RJRRUPOVUBNEQX-AWEZNQCLSA-N 0 3 306.406 2.178 20 10 DECDHN O=C1Nc2ccccc2[C@H]2C[N@H+](Cc3ccc(O)cc3[O-])C[C@H]12 ZINC001204275818 800199112 /nfs/dbraw/zinc/19/91/12/800199112.db2.gz CCTWAHCOSXWQMH-CABCVRRESA-N 0 3 310.353 2.266 20 10 DECDHN O=C1Nc2ccccc2[C@H]2C[N@@H+](Cc3ccc(O)cc3[O-])C[C@H]12 ZINC001204275818 800199115 /nfs/dbraw/zinc/19/91/15/800199115.db2.gz CCTWAHCOSXWQMH-CABCVRRESA-N 0 3 310.353 2.266 20 10 DECDHN CCCCCN1CCN(Cc2cc(O)c(O)c(OC)c2)CC1 ZINC001204343806 800207275 /nfs/dbraw/zinc/20/72/75/800207275.db2.gz ASDZWYGRWPFOMU-UHFFFAOYSA-N 0 3 308.422 2.414 20 10 DECDHN COc1ccc(N2CCN(Cc3ccc[nH]c3=O)CC2)c(C)c1 ZINC001207008690 800654651 /nfs/dbraw/zinc/65/46/51/800654651.db2.gz HCDWFKGIACAWRJ-UHFFFAOYSA-N 0 3 313.401 2.426 20 10 DECDHN CCOC(=O)[C@H]1CNCCN1Cc1cccc(C(C)(C)C)c1O ZINC001211362932 801555159 /nfs/dbraw/zinc/55/51/59/801555159.db2.gz XIWJSHAHWFHSAH-OAHLLOKOSA-N 0 3 320.433 2.027 20 10 DECDHN COc1cc(CN(CCO)Cc2ccccc2)c(O)cc1O ZINC001231632895 801700289 /nfs/dbraw/zinc/70/02/89/801700289.db2.gz JKEQCXOMGDPWMK-UHFFFAOYSA-N 0 3 303.358 2.101 20 10 DECDHN COCCN1CCN(Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233453122 802121788 /nfs/dbraw/zinc/12/17/88/802121788.db2.gz WDKOUBFFMAEKQB-UHFFFAOYSA-N 0 3 318.339 2.175 20 10 DECDHN COc1ccc(CN[C@](C)(CO)c2ccccc2)c(O)c1OC ZINC001334955921 1150360107 /nfs/dbraw/zinc/36/01/07/1150360107.db2.gz LZSZYPKOSADYEO-GOSISDBHSA-N 0 3 317.385 2.407 20 10 DECDHN C[C@@H]1CC[C@@H]1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001335542805 1150447966 /nfs/dbraw/zinc/44/79/66/1150447966.db2.gz IMDSCOWWWVKALL-COXVUDFISA-N 0 3 318.465 2.453 20 10 DECDHN C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604339605 1070339632 /nfs/dbraw/zinc/33/96/32/1070339632.db2.gz ZYZBWFYMQXMCHH-LBPRGKRZSA-N 0 3 306.406 2.473 20 10 DECDHN COc1cccc([C@@H](C)N[C@@H](C)C(=O)NCC(F)(F)F)c1O ZINC001328725221 1148828827 /nfs/dbraw/zinc/82/88/27/1148828827.db2.gz ALCOHVHYIOOWIF-BDAKNGLRSA-N 0 3 320.311 2.118 20 10 DECDHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC001573719943 1069080511 /nfs/dbraw/zinc/08/05/11/1069080511.db2.gz QPNCDYIMVAYJMY-JKSUJKDBSA-N 0 3 318.465 2.425 20 10 DECDHN CN(C)c1ccc(/C=C/CNCc2ccc(C(N)=O)nc2)cc1 ZINC001560393235 1075139291 /nfs/dbraw/zinc/13/92/91/1075139291.db2.gz QFCDURXIOWMXIF-ONEGZZNKSA-N 0 3 310.401 2.050 20 10 DECDHN C[C@@H]([NH2+]Cc1ccncc1-c1nnn[n-]1)c1ccc(N(C)C)cc1 ZINC001589970262 1076539755 /nfs/dbraw/zinc/53/97/55/1076539755.db2.gz KAIATYARKISOLW-GFCCVEGCSA-N 0 3 323.404 2.179 20 10 DECDHN C[C@@H]([NH2+]Cc1ccncc1-c1nn[n-]n1)c1ccc(N(C)C)cc1 ZINC001589970262 1076539760 /nfs/dbraw/zinc/53/97/60/1076539760.db2.gz KAIATYARKISOLW-GFCCVEGCSA-N 0 3 323.404 2.179 20 10 DECDHN CCCOc1ccc(CN[C@H]2CCO[C@H]2C(=O)OC)cc1C ZINC001652793319 1079897420 /nfs/dbraw/zinc/89/74/20/1079897420.db2.gz BSTMALQAKOVBGO-GOEBONIOSA-N 0 3 307.390 2.204 20 10 DECDHN CCN1CCN(c2ccc(O[C@@H](C[N+](=O)[O-])C3CC3)cc2)CC1 ZINC001234658086 1084190754 /nfs/dbraw/zinc/19/07/54/1084190754.db2.gz TVXCDDRFQYXWKR-KRWDZBQOSA-N 0 3 319.405 2.263 20 10 DECDHN CCN1CCN(c2ccc(O[C@H]3CCOC[C@H]3F)cc2)CC1 ZINC001234661619 1084191653 /nfs/dbraw/zinc/19/16/53/1084191653.db2.gz VVDYVOJAVKZQCJ-SJORKVTESA-N 0 3 308.397 2.334 20 10 DECDHN Cc1cc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)c([O-])cc1Br ZINC001235394082 1084416900 /nfs/dbraw/zinc/41/69/00/1084416900.db2.gz WTFLWZVXZFMNQO-TXEJJXNPSA-N 0 3 311.223 2.399 20 10 DECDHN Cc1cc([O-])c(CN(C2CC2)C2C[NH2+]C2)cc1Br ZINC001236064024 1084601383 /nfs/dbraw/zinc/60/13/83/1084601383.db2.gz OHRQHZJXIZHKIG-UHFFFAOYSA-N 0 3 311.223 2.399 20 10 DECDHN CC(C)CN1CC[C@@]2(CC[N@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001272981896 1085775558 /nfs/dbraw/zinc/77/55/58/1085775558.db2.gz BHCHZAPNFBPEGC-GOSISDBHSA-N 0 3 318.417 2.178 20 10 DECDHN CC(C)CN1CC[C@@]2(CC[N@@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001272981896 1085775566 /nfs/dbraw/zinc/77/55/66/1085775566.db2.gz BHCHZAPNFBPEGC-GOSISDBHSA-N 0 3 318.417 2.178 20 10 DECDHN CCc1ccc(C[NH+]2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)c([O-])c1 ZINC001236788150 1138428821 /nfs/dbraw/zinc/42/88/21/1138428821.db2.gz SEAAZZNTYUHJGM-IRXDYDNUSA-N 0 3 324.428 2.313 20 10 DECDHN COC(=O)C[C@H]1CCC[N@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001236822227 1138440133 /nfs/dbraw/zinc/44/01/33/1138440133.db2.gz YSHUMZARCGYOLY-CYBMUJFWSA-N 0 3 307.390 2.484 20 10 DECDHN COC(=O)C[C@H]1CCC[N@@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001236822227 1138440144 /nfs/dbraw/zinc/44/01/44/1138440144.db2.gz YSHUMZARCGYOLY-CYBMUJFWSA-N 0 3 307.390 2.484 20 10 DECDHN COC(=O)C1(O)CC[NH+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236838677 1138442821 /nfs/dbraw/zinc/44/28/21/1138442821.db2.gz ZHMTWCYFROHBHK-UHFFFAOYSA-N 0 3 315.369 2.045 20 10 DECDHN CCOc1ccc(C[N@@H+]2C[C@H](C)C[C@@H](C(=O)OC)C2)c([O-])c1 ZINC001237041950 1138486372 /nfs/dbraw/zinc/48/63/72/1138486372.db2.gz AXRNNZKALDSVIG-TZMCWYRMSA-N 0 3 307.390 2.422 20 10 DECDHN CCOc1ccc(C[N@H+]2C[C@H](C)C[C@@H](C(=O)OC)C2)c([O-])c1 ZINC001237041950 1138486374 /nfs/dbraw/zinc/48/63/74/1138486374.db2.gz AXRNNZKALDSVIG-TZMCWYRMSA-N 0 3 307.390 2.422 20 10 DECDHN CCOc1ccc(C[NH+]2CCC(N3CC(F)C3)CC2)c([O-])c1 ZINC001237042973 1138487152 /nfs/dbraw/zinc/48/71/52/1138487152.db2.gz LOONTAPCDVGZQL-UHFFFAOYSA-N 0 3 308.397 2.409 20 10 DECDHN [O-]c1cc(OCC(F)(F)F)ccc1C[NH+]1CCC(O)CC1 ZINC001237051780 1138490646 /nfs/dbraw/zinc/49/06/46/1138490646.db2.gz QOFONJZCRVITRX-UHFFFAOYSA-N 0 3 305.296 2.290 20 10 DECDHN CC1(C)CCN(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001237205273 1138533606 /nfs/dbraw/zinc/53/36/06/1138533606.db2.gz HUIGGUNDMXFUGG-UHFFFAOYSA-N 0 3 322.474 2.153 20 10 DECDHN Cc1cc(F)cc(CN2CC[C@@H](Oc3ncccn3)C2)c1O ZINC001238067287 1138819528 /nfs/dbraw/zinc/81/95/28/1138819528.db2.gz RHABDEQTASGNKB-CQSZACIVSA-N 0 3 303.337 2.283 20 10 DECDHN C[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1cn[nH]c1 ZINC001319732813 1140698368 /nfs/dbraw/zinc/69/83/68/1140698368.db2.gz KGVUOLBVCXPCIT-CYBMUJFWSA-N 0 3 317.412 2.151 20 10 DECDHN COc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC001252904902 1142828667 /nfs/dbraw/zinc/82/86/67/1142828667.db2.gz IHAJGDUCVSQISN-KBPBESRZSA-N 0 3 317.385 2.491 20 10 DECDHN [O-]c1ccccc1C[NH2+]C[C@@H](O)CCOCc1ccccc1 ZINC001253291911 1142861459 /nfs/dbraw/zinc/86/14/59/1142861459.db2.gz OHAIEOWYELEGPQ-KRWDZBQOSA-N 0 3 301.386 2.450 20 10 DECDHN CC(C)(C)OC(=O)[C@@H](O)CNCc1ccc(N2CCCC2)cc1 ZINC001253699269 1142893406 /nfs/dbraw/zinc/89/34/06/1142893406.db2.gz JYWGAGVGWUXWAZ-INIZCTEOSA-N 0 3 320.433 2.079 20 10 DECDHN CN(C)c1ccc(CN(C[C@@H]2CN(C)C(=O)O2)C2CC2)cc1 ZINC001324926829 1147858853 /nfs/dbraw/zinc/85/88/53/1147858853.db2.gz BBFCFRHCPQSXKQ-INIZCTEOSA-N 0 3 303.406 2.168 20 10 DECDHN Cc1ccc([O-])c(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)c1 ZINC000093454971 355682717 /nfs/dbraw/zinc/68/27/17/355682717.db2.gz FQXPVSDEKGRSIG-KRWDZBQOSA-N 0 3 315.417 2.380 20 10 DECDHN CCCNC(=O)CN1CCC([NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000183414473 283368779 /nfs/dbraw/zinc/36/87/79/283368779.db2.gz HXKRCYUXRNHZAD-CQSZACIVSA-N 0 3 319.449 2.033 20 10 DECDHN C[C@H](NCC1(CS(C)(=O)=O)CC1)c1ccc(N(C)C)cc1 ZINC000090183248 299280623 /nfs/dbraw/zinc/28/06/23/299280623.db2.gz GRMHJRAKSCJPJM-ZDUSSCGKSA-N 0 3 310.463 2.228 20 10 DECDHN CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cccc(OC)c1[O-])CC2 ZINC000093614047 193273578 /nfs/dbraw/zinc/27/35/78/193273578.db2.gz BCDRZFMYILVYSD-HZPDHXFCSA-N 0 3 321.417 2.153 20 10 DECDHN COC[C@@H](O)CNCc1ccc(N(C)Cc2cccs2)cc1 ZINC000294930612 224319432 /nfs/dbraw/zinc/31/94/32/224319432.db2.gz BGNFWYFBTZXCMH-INIZCTEOSA-N 0 3 320.458 2.481 20 10 DECDHN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000272541572 130039155 /nfs/dbraw/zinc/03/91/55/130039155.db2.gz XZXDOESUXMUEMI-KEDPEKRHSA-N 0 3 316.401 2.198 20 10 DECDHN Cc1ccc([C@@H](C)NCC(=O)NCC(F)(F)F)c(O)c1C ZINC000273297341 130103870 /nfs/dbraw/zinc/10/38/70/130103870.db2.gz AKMONKDIDDXFKR-SNVBAGLBSA-N 0 3 304.312 2.338 20 10 DECDHN C[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1cc2c(cc1[O-])CCCC2 ZINC000273550460 130135494 /nfs/dbraw/zinc/13/54/94/130135494.db2.gz FVURMRDBVTUVGF-KPZWWZAWSA-N 0 3 315.417 2.389 20 10 DECDHN CCCOc1ccc(C[N@@H+]2CC[C@@H]3OCCN(C)[C@@H]3C2)c([O-])c1 ZINC000284311221 131068244 /nfs/dbraw/zinc/06/82/44/131068244.db2.gz JLKXPDHFOWVVBK-AEFFLSMTSA-N 0 3 320.433 2.086 20 10 DECDHN CCCOc1ccc(C[N@H+]2CC[C@@H]3OCCN(C)[C@@H]3C2)c([O-])c1 ZINC000284311221 131068245 /nfs/dbraw/zinc/06/82/45/131068245.db2.gz JLKXPDHFOWVVBK-AEFFLSMTSA-N 0 3 320.433 2.086 20 10 DECDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c([O-])c1C ZINC000286924680 131255690 /nfs/dbraw/zinc/25/56/90/131255690.db2.gz FVNLKZURFWSVIA-KBPBESRZSA-N 0 3 311.447 2.484 20 10 DECDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000085354920 401914337 /nfs/dbraw/zinc/91/43/37/401914337.db2.gz BCPSZTRGVVEBDH-YOEHRIQHSA-N 0 3 318.465 2.234 20 10 DECDHN CCN(CC)c1ccc(CN(C)C[C@@H](C)C(=O)NC)cc1F ZINC000093899027 402021258 /nfs/dbraw/zinc/02/12/58/402021258.db2.gz DCVNLXCABRJLNX-CYBMUJFWSA-N 0 3 309.429 2.486 20 10 DECDHN CCOc1ccc(O)c(CN2CCC(N(C)C(C)=O)CC2)c1 ZINC000092538808 402006077 /nfs/dbraw/zinc/00/60/77/402006077.db2.gz OFZWIVGRWFATFK-UHFFFAOYSA-N 0 3 306.406 2.234 20 10 DECDHN CCCC[NH+]1CCC(NC(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000177676793 402425803 /nfs/dbraw/zinc/42/58/03/402425803.db2.gz ZHKOKINLVQBWGQ-UHFFFAOYSA-N 0 3 306.406 2.401 20 10 DECDHN C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccccc1O ZINC000179564093 402594172 /nfs/dbraw/zinc/59/41/72/402594172.db2.gz CXBNIPIOERCVKF-LBPRGKRZSA-N 0 3 320.414 2.233 20 10 DECDHN Cc1cc(O)c(CN[C@@H](C)C(=O)NCc2ccco2)cc1C ZINC000174378987 402738491 /nfs/dbraw/zinc/73/84/91/402738491.db2.gz NZANDOSAEOQJSP-ZDUSSCGKSA-N 0 3 302.374 2.397 20 10 DECDHN COc1ccc(O)c(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000271736535 402883369 /nfs/dbraw/zinc/88/33/69/402883369.db2.gz OYNLHJCKIFPGJV-DGCLKSJQSA-N 0 3 305.296 2.288 20 10 DECDHN CC[C@H](NCC1(S(C)(=O)=O)CC1)c1ccc(N(C)C)cc1 ZINC000281195244 403060301 /nfs/dbraw/zinc/06/03/01/403060301.db2.gz RNNRJSSCQFHJSF-HNNXBMFYSA-N 0 3 310.463 2.371 20 10 DECDHN CN1CCN(CC[NH2+]Cc2c([O-])cccc2Cl)CC1(C)C ZINC000282512631 403156128 /nfs/dbraw/zinc/15/61/28/403156128.db2.gz XMHKQXWODVMFHW-UHFFFAOYSA-N 0 3 311.857 2.161 20 10 DECDHN COC(=O)CC[N@@H+](Cc1cc2c(cc1[O-])OCO2)CC(C)C ZINC000271102558 403264242 /nfs/dbraw/zinc/26/42/42/403264242.db2.gz RTTOKAMPAGUWJQ-UHFFFAOYSA-N 0 3 309.362 2.142 20 10 DECDHN COC(=O)CC[N@H+](Cc1cc2c(cc1[O-])OCO2)CC(C)C ZINC000271102558 403264245 /nfs/dbraw/zinc/26/42/45/403264245.db2.gz RTTOKAMPAGUWJQ-UHFFFAOYSA-N 0 3 309.362 2.142 20 10 DECDHN CON(C)C(=O)C1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000293540734 403499517 /nfs/dbraw/zinc/49/95/17/403499517.db2.gz KDXQWYQLXFMMHF-UHFFFAOYSA-N 0 3 319.449 2.293 20 10 DECDHN CC1(C)OCC[C@@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000293864208 403585575 /nfs/dbraw/zinc/58/55/75/403585575.db2.gz UQIBGNDANYGZNC-KRWDZBQOSA-N 0 3 322.424 2.444 20 10 DECDHN CCN(CC)c1ccc(CN[C@H]2CCS(=O)(=O)[C@H]2C)cc1 ZINC000293897221 403593662 /nfs/dbraw/zinc/59/36/62/403593662.db2.gz KUNBDMKRBCMQKM-BBRMVZONSA-N 0 3 310.463 2.198 20 10 DECDHN COc1ccc([O-])c(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)c1 ZINC000294191402 403669815 /nfs/dbraw/zinc/66/98/15/403669815.db2.gz XKMGMMAYEQTGPF-QGZVFWFLSA-N 0 3 321.417 2.058 20 10 DECDHN COc1ccc(O)c(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000289832390 404002115 /nfs/dbraw/zinc/00/21/15/404002115.db2.gz UJBXQJXMEPJZRC-AAEUAGOBSA-N 0 3 319.323 2.394 20 10 DECDHN CCN(CC)c1ccc(CNC[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000290207622 404081318 /nfs/dbraw/zinc/08/13/18/404081318.db2.gz VLMJZOISYRYBHF-INIZCTEOSA-N 0 3 324.490 2.447 20 10 DECDHN CN(C)c1ccc(CN2CC[C@H](C(=O)N3CCCC3)C2)cc1F ZINC000290430565 404166039 /nfs/dbraw/zinc/16/60/39/404166039.db2.gz LHEFPYXFEUCTAC-HNNXBMFYSA-N 0 3 319.424 2.336 20 10 DECDHN COCCOCCOCCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296579708 404309250 /nfs/dbraw/zinc/30/92/50/404309250.db2.gz VWEKGVFNAWCJIQ-OAHLLOKOSA-N 0 3 309.406 2.039 20 10 DECDHN COC1CCN(c2ccc(CN3CCC[C@@H](O)C3)cc2)CC1 ZINC000296574300 226009401 /nfs/dbraw/zinc/00/94/01/226009401.db2.gz QQSOTAFLEZPTTP-QGZVFWFLSA-N 0 3 304.434 2.259 20 10 DECDHN Cc1cccc(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)c1[O-] ZINC000369139699 227026101 /nfs/dbraw/zinc/02/61/01/227026101.db2.gz KMDQVLIJWZLNQF-MRXNPFEDSA-N 0 3 301.390 2.369 20 10 DECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN2CCC(O)CC2)c1[O-] ZINC000834901907 649858701 /nfs/dbraw/zinc/85/87/01/649858701.db2.gz BEPMGHHOUXYDBA-GFCCVEGCSA-N 0 3 312.841 2.461 20 10 DECDHN CCN(C)C(=O)[C@H](C)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000364769751 276068140 /nfs/dbraw/zinc/06/81/40/276068140.db2.gz MDLNFLBFKQAPFR-AWEZNQCLSA-N 0 3 319.449 2.120 20 10 DECDHN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc2c(c1)CNC2 ZINC000347694414 276804219 /nfs/dbraw/zinc/80/42/19/276804219.db2.gz UBIYBQSBLGISAJ-UHFFFAOYSA-N 0 3 323.396 2.395 20 10 DECDHN COc1cccc(CNCc2cnc3c(c2)c(C)nn3C)c1O ZINC000263650404 333947041 /nfs/dbraw/zinc/94/70/41/333947041.db2.gz DDSKUXHVYHRKJN-UHFFFAOYSA-N 0 3 312.373 2.281 20 10 DECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000370703908 534196891 /nfs/dbraw/zinc/19/68/91/534196891.db2.gz VHNWAAUEKXHFLR-SJLPKXTDSA-N 0 3 317.477 2.158 20 10 DECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000370703908 534196896 /nfs/dbraw/zinc/19/68/96/534196896.db2.gz VHNWAAUEKXHFLR-SJLPKXTDSA-N 0 3 317.477 2.158 20 10 DECDHN CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cc(OC)ccc2[O-])C1(C)C ZINC000188900339 520392909 /nfs/dbraw/zinc/39/29/09/520392909.db2.gz GJPIPJBRGUDMFK-WBVHZDCISA-N 0 3 309.406 2.057 20 10 DECDHN CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000185029333 521658551 /nfs/dbraw/zinc/65/85/51/521658551.db2.gz DOYNUYZJKOBWAM-CYBMUJFWSA-N 0 3 314.451 2.023 20 10 DECDHN Cc1cccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1[O-] ZINC000375015062 534711872 /nfs/dbraw/zinc/71/18/72/534711872.db2.gz CAFBDXBHQLFGDZ-WMZOPIPTSA-N 0 3 317.477 2.158 20 10 DECDHN Cc1cccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1[O-] ZINC000375015062 534711875 /nfs/dbraw/zinc/71/18/75/534711875.db2.gz CAFBDXBHQLFGDZ-WMZOPIPTSA-N 0 3 317.477 2.158 20 10 DECDHN Cc1cccc(C[NH+]2CCC(N3CCCNC3=O)CC2)c1[O-] ZINC000180465915 524387537 /nfs/dbraw/zinc/38/75/37/524387537.db2.gz RDKQHEYTINZPON-UHFFFAOYSA-N 0 3 303.406 2.080 20 10 DECDHN COc1cccc(CNCc2cn(C)nc2-c2ccncc2)c1O ZINC000370892245 526025824 /nfs/dbraw/zinc/02/58/24/526025824.db2.gz OFRVIOBBZQYISI-UHFFFAOYSA-N 0 3 324.384 2.486 20 10 DECDHN Cc1[nH]ccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891250647 623795258 /nfs/dbraw/zinc/79/52/58/623795258.db2.gz BHBXTYZJFVXXCD-QGZVFWFLSA-N 0 3 314.433 2.422 20 10 DECDHN CN(C)c1ccc(CNC(=O)N(C)[C@H]2CCCN(C)C2)cc1F ZINC000892485759 625873753 /nfs/dbraw/zinc/87/37/53/625873753.db2.gz NISWRHNMCCMTMO-AWEZNQCLSA-N 0 3 322.428 2.127 20 10 DECDHN CCNC(=O)C(C)(C)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000312877231 633230035 /nfs/dbraw/zinc/23/00/35/633230035.db2.gz KRJXEUJHKJFLDZ-UHFFFAOYSA-N 0 3 300.786 2.059 20 10 DECDHN CCNC(=O)C(C)(C)NCc1cc(Cl)cc(OC)c1O ZINC000312877231 633230058 /nfs/dbraw/zinc/23/00/58/633230058.db2.gz KRJXEUJHKJFLDZ-UHFFFAOYSA-N 0 3 300.786 2.059 20 10 DECDHN O=C1CCC(=O)N1CC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613402 633246352 /nfs/dbraw/zinc/24/63/52/633246352.db2.gz RQTUAQCWLILTOE-UHFFFAOYSA-N 0 3 316.401 2.286 20 10 DECDHN O=C1CCC(=O)N1CC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613402 633246355 /nfs/dbraw/zinc/24/63/55/633246355.db2.gz RQTUAQCWLILTOE-UHFFFAOYSA-N 0 3 316.401 2.286 20 10 DECDHN COCCCNC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733614126 633246377 /nfs/dbraw/zinc/24/63/77/633246377.db2.gz YSIFTOFZBBSKDU-UHFFFAOYSA-N 0 3 320.433 2.290 20 10 DECDHN COCCCNC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733614126 633246380 /nfs/dbraw/zinc/24/63/80/633246380.db2.gz YSIFTOFZBBSKDU-UHFFFAOYSA-N 0 3 320.433 2.290 20 10 DECDHN CCO[C@@H](CNCc1c([O-])ccc(Cl)c1F)C[NH+](C)C ZINC000922753725 636376525 /nfs/dbraw/zinc/37/65/25/636376525.db2.gz IFCLHEUIDXSQJC-JTQLQIEISA-N 0 3 304.793 2.241 20 10 DECDHN CCO[C@@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)CN(C)C ZINC000922753725 636376531 /nfs/dbraw/zinc/37/65/31/636376531.db2.gz IFCLHEUIDXSQJC-JTQLQIEISA-N 0 3 304.793 2.241 20 10 DECDHN COC(=O)c1c(CN[C@H]2C[C@@](C)(O)C2)c2cc(F)ccc2n1C ZINC000895025187 637392681 /nfs/dbraw/zinc/39/26/81/637392681.db2.gz PUHJZIXJHXFEBZ-OYHSWFHJSA-N 0 3 320.364 2.107 20 10 DECDHN CS(=O)(=O)CC1(C[NH2+][C@H]2CCc3cccc([O-])c32)CCC1 ZINC000840889449 650371938 /nfs/dbraw/zinc/37/19/38/650371938.db2.gz GJYFZDWQQYYBSC-ZDUSSCGKSA-N 0 3 309.431 2.184 20 10 DECDHN COc1ccc(N2CCN(CCC3(O)CCC3)CC2)cc1F ZINC000839503628 637898572 /nfs/dbraw/zinc/89/85/72/637898572.db2.gz SHHBBNJLFFLSQD-UHFFFAOYSA-N 0 3 308.397 2.261 20 10 DECDHN Oc1cc2c(cc1CN1C[C@H](O)C[C@@H]1c1ccccc1)OCO2 ZINC000840956173 650394969 /nfs/dbraw/zinc/39/49/69/650394969.db2.gz KGOGOPZMVVOEDI-HUUCEWRRSA-N 0 3 313.353 2.429 20 10 DECDHN CCCOc1ccc(CNC2(C(=O)NC)CCOCC2)cc1C ZINC000895885419 638247662 /nfs/dbraw/zinc/24/76/62/638247662.db2.gz PHKWECZATDLFHU-UHFFFAOYSA-N 0 3 320.433 2.169 20 10 DECDHN C[C@]1(C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)COC(=O)N1 ZINC000896461065 638535032 /nfs/dbraw/zinc/53/50/32/638535032.db2.gz NDFGIOQWNRVCLQ-MRXNPFEDSA-N 0 3 308.353 2.242 20 10 DECDHN COc1cccc([O-])c1C[N@H+](C)C1CCC(NC(C)=O)CC1 ZINC000753588997 639317386 /nfs/dbraw/zinc/31/73/86/639317386.db2.gz HLYQVQLRHUQEPF-UHFFFAOYSA-N 0 3 306.406 2.280 20 10 DECDHN COc1cccc([O-])c1C[N@@H+](C)C1CCC(NC(C)=O)CC1 ZINC000753588997 639317387 /nfs/dbraw/zinc/31/73/87/639317387.db2.gz HLYQVQLRHUQEPF-UHFFFAOYSA-N 0 3 306.406 2.280 20 10 DECDHN COc1cc(C)cc(CN(C)Cc2cccc(C(N)=O)c2)c1O ZINC000754724155 639465113 /nfs/dbraw/zinc/46/51/13/639465113.db2.gz ZFOCHVTXCPKOJU-UHFFFAOYSA-N 0 3 314.385 2.440 20 10 DECDHN CN1CCN(C(C)(C)C[NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000021014630 639482670 /nfs/dbraw/zinc/48/26/70/639482670.db2.gz DUTSHWIUWFNKQI-UHFFFAOYSA-N 0 3 311.857 2.161 20 10 DECDHN C[C@H](CCS(C)(=O)=O)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756659217 639683596 /nfs/dbraw/zinc/68/35/96/639683596.db2.gz PMGIUZZVYACBAE-UMNHJUIQSA-N 0 3 315.410 2.492 20 10 DECDHN [O-]c1ccc2ccncc2c1C[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000756864332 639706945 /nfs/dbraw/zinc/70/69/45/639706945.db2.gz XKGKMGUZGKCBTL-QZTJIDSGSA-N 0 3 314.385 2.320 20 10 DECDHN [O-]c1ccc2ccncc2c1C[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000756864332 639706950 /nfs/dbraw/zinc/70/69/50/639706950.db2.gz XKGKMGUZGKCBTL-QZTJIDSGSA-N 0 3 314.385 2.320 20 10 DECDHN CC(C)N(CCN(C)C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000163336652 639736195 /nfs/dbraw/zinc/73/61/95/639736195.db2.gz WLRVIVVUCLASBR-UHFFFAOYSA-N 0 3 306.454 2.234 20 10 DECDHN COc1ccc(O)c([C@@H](C)NCC(=O)N2CCCC[C@@H]2C)c1 ZINC000839538795 639752604 /nfs/dbraw/zinc/75/26/04/639752604.db2.gz GPQSFUHETLVIKX-QWHCGFSZSA-N 0 3 306.406 2.452 20 10 DECDHN C[C@@H]1[C@H](NCCF)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000987593937 640230967 /nfs/dbraw/zinc/23/09/67/640230967.db2.gz HGEOQCKVVZVTDX-ZWNOBZJWSA-N 0 3 321.356 2.011 20 10 DECDHN C[C@H](NC(=O)N1C[C@@H](C)NC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000841881669 650591075 /nfs/dbraw/zinc/59/10/75/650591075.db2.gz BKXYFDBNSVNLNX-RDBSUJKOSA-N 0 3 304.438 2.205 20 10 DECDHN CC(C)[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCS1 ZINC000768465376 641085197 /nfs/dbraw/zinc/08/51/97/641085197.db2.gz HNYSIJXHIAZERU-ZBFHGGJFSA-N 0 3 309.431 2.391 20 10 DECDHN CC(C)[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCS1 ZINC000768465376 641085198 /nfs/dbraw/zinc/08/51/98/641085198.db2.gz HNYSIJXHIAZERU-ZBFHGGJFSA-N 0 3 309.431 2.391 20 10 DECDHN CCOc1ccc(CN2CCCN(C(=O)C(C)C)CC2)c(O)c1 ZINC000768921060 641144154 /nfs/dbraw/zinc/14/41/54/641144154.db2.gz WVLZZSURBHAZEE-UHFFFAOYSA-N 0 3 320.433 2.481 20 10 DECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000769405255 641233126 /nfs/dbraw/zinc/23/31/26/641233126.db2.gz RQGRIJMTWXSDSR-CQSZACIVSA-N 0 3 318.417 2.235 20 10 DECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000769405255 641233131 /nfs/dbraw/zinc/23/31/31/641233131.db2.gz RQGRIJMTWXSDSR-CQSZACIVSA-N 0 3 318.417 2.235 20 10 DECDHN Cc1cc(CNC[C@H](c2ccc(N(C)C)cc2)N(C)C)nn1C ZINC000898450096 641662056 /nfs/dbraw/zinc/66/20/56/641662056.db2.gz NHJVXBZVCQECBP-GOSISDBHSA-N 0 3 315.465 2.187 20 10 DECDHN C[C@@H](NCC(=O)N(C)CC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000773013864 641717432 /nfs/dbraw/zinc/71/74/32/641717432.db2.gz GBNQWGGOOJJNQA-LLVKDONJSA-N 0 3 317.355 2.424 20 10 DECDHN C[C@@H]1CCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098198 641940005 /nfs/dbraw/zinc/94/00/05/641940005.db2.gz LZVVCAXNQNZNET-CZUORRHYSA-N 0 3 304.438 2.159 20 10 DECDHN C[C@H]1CCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098196 641940494 /nfs/dbraw/zinc/94/04/94/641940494.db2.gz LZVVCAXNQNZNET-BBRMVZONSA-N 0 3 304.438 2.159 20 10 DECDHN C[C@H](NCC(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000775833800 642102878 /nfs/dbraw/zinc/10/28/78/642102878.db2.gz MTXWUNDJHRVZDZ-KFWWJZLASA-N 0 3 319.449 2.039 20 10 DECDHN Cc1cc(Cl)cc(C[NH2+]CC(=O)NCc2ccco2)c1[O-] ZINC000775934112 642114583 /nfs/dbraw/zinc/11/45/83/642114583.db2.gz XEXZDBDSOKFHTH-UHFFFAOYSA-N 0 3 308.765 2.353 20 10 DECDHN COc1cc(O)c(CN[C@](C)(CO)c2ccccc2)cc1OC ZINC000776175801 642139089 /nfs/dbraw/zinc/13/90/89/642139089.db2.gz SGCZZNNEHCLMMW-GOSISDBHSA-N 0 3 317.385 2.407 20 10 DECDHN CCOCc1cc(CNC2(C(=O)NC)CCCC2)ccc1OC ZINC000779176056 642469568 /nfs/dbraw/zinc/46/95/68/642469568.db2.gz ZLVBPMAHZLQJDO-UHFFFAOYSA-N 0 3 320.433 2.380 20 10 DECDHN COc1ccc(N2CCN(CC[C@@H]3CCOC3)CC2)cc1F ZINC000783577014 643022443 /nfs/dbraw/zinc/02/24/43/643022443.db2.gz WLLQSHNYULGICF-CQSZACIVSA-N 0 3 308.397 2.383 20 10 DECDHN c1cc(N2CCOCC2)ccc1CN1CCOCC2(CC2)C1 ZINC000783598923 643025467 /nfs/dbraw/zinc/02/54/67/643025467.db2.gz GPLXUBPBNWFYFD-UHFFFAOYSA-N 0 3 302.418 2.136 20 10 DECDHN C[C@@H]([NH2+]C[C@]1(c2cnn(C)c2)CCCO1)c1ccccc1[O-] ZINC000903355817 643325933 /nfs/dbraw/zinc/32/59/33/643325933.db2.gz KJRWEBMLBNYFHB-DYVFJYSZSA-N 0 3 301.390 2.482 20 10 DECDHN C[C@@H]1C[C@@H]([NH2+]CCCc2ncn(C)n2)c2c1c(F)ccc2[O-] ZINC000842899979 650848085 /nfs/dbraw/zinc/84/80/85/650848085.db2.gz CVIROGVPNHHPML-ZYHUDNBSSA-N 0 3 304.369 2.431 20 10 DECDHN C[C@H]1C[C@H]([NH2+]CCCc2ncn(C)n2)c2c1c(F)ccc2[O-] ZINC000842899975 650848101 /nfs/dbraw/zinc/84/81/01/650848101.db2.gz CVIROGVPNHHPML-JQWIXIFHSA-N 0 3 304.369 2.431 20 10 DECDHN COc1ccc(N2CCCN(Cc3ccc(N)nc3)CC2)cc1 ZINC000843060887 650881056 /nfs/dbraw/zinc/88/10/56/650881056.db2.gz QXOVOQLTQHBKEV-UHFFFAOYSA-N 0 3 312.417 2.385 20 10 DECDHN Fc1cc(CN2CC([C@@H]3CCOC3)C2)ccc1N1CCOCC1 ZINC000793256391 644216921 /nfs/dbraw/zinc/21/69/21/644216921.db2.gz VGWQQXIVCWRWEL-OAHLLOKOSA-N 0 3 320.408 2.131 20 10 DECDHN [O-]c1ccc(Br)cc1CN1CC[NH2+]C[C@H]1C(F)F ZINC000843124674 650900910 /nfs/dbraw/zinc/90/09/10/650900910.db2.gz JLMRDQHVKLUXSB-JTQLQIEISA-N 0 3 321.165 2.194 20 10 DECDHN COc1cccc(O)c1CN1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000793366788 644240682 /nfs/dbraw/zinc/24/06/82/644240682.db2.gz TXDDPKJNSOHVAF-QGZVFWFLSA-N 0 3 307.390 2.171 20 10 DECDHN CCN(CC)c1ccc(CN2CCN(C[C@@H](C)O)C[C@@H]2C)cc1 ZINC000793591008 644276861 /nfs/dbraw/zinc/27/68/61/644276861.db2.gz QKJRSBKOOFZQJA-DLBZAZTESA-N 0 3 319.493 2.420 20 10 DECDHN C[C@@H]1OCC[C@@]12CN(Cc1cc3c(cc1O)CCC3)CCO2 ZINC000794657772 644455210 /nfs/dbraw/zinc/45/52/10/644455210.db2.gz HNFPVKWHLGQVCL-SCLBCKFNSA-N 0 3 303.402 2.261 20 10 DECDHN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)N1CCCCC1 ZINC000907271660 644487171 /nfs/dbraw/zinc/48/71/71/644487171.db2.gz BRUSCOZOGRMMBX-ZDUSSCGKSA-N 0 3 320.433 2.410 20 10 DECDHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CCCN1C ZINC000839919104 645299988 /nfs/dbraw/zinc/29/99/88/645299988.db2.gz PLPQADBRQVCCRB-WMLDXEAASA-N 0 3 303.450 2.202 20 10 DECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)c1[O-] ZINC000808674058 646125517 /nfs/dbraw/zinc/12/55/17/646125517.db2.gz MTURCCGKAPEFLJ-MNOVXSKESA-N 0 3 317.838 2.439 20 10 DECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)c1[O-] ZINC000808674059 646126189 /nfs/dbraw/zinc/12/61/89/646126189.db2.gz MTURCCGKAPEFLJ-QWRGUYRKSA-N 0 3 317.838 2.439 20 10 DECDHN CC(C)S(=O)(=O)CC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000808725790 646132967 /nfs/dbraw/zinc/13/29/67/646132967.db2.gz FEJJWOWRXLVOJR-ZYHUDNBSSA-N 0 3 315.410 2.492 20 10 DECDHN CCOc1ccc(C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)c([O-])c1 ZINC000816666135 647165141 /nfs/dbraw/zinc/16/51/41/647165141.db2.gz FOEZUGBSTDAUQQ-ROUUACIJSA-N 0 3 321.417 2.201 20 10 DECDHN C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1c([O-])cccc1F ZINC000914340601 647269406 /nfs/dbraw/zinc/26/94/06/647269406.db2.gz FPWXBVRKIKJCBY-QWHCGFSZSA-N 0 3 323.412 2.451 20 10 DECDHN C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCc1c([O-])cccc1F ZINC000914340601 647269408 /nfs/dbraw/zinc/26/94/08/647269408.db2.gz FPWXBVRKIKJCBY-QWHCGFSZSA-N 0 3 323.412 2.451 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](NC(C)=O)C3)c2c1 ZINC000817364380 647277291 /nfs/dbraw/zinc/27/72/91/647277291.db2.gz DNXQLVLNHJJXLP-AWEZNQCLSA-N 0 3 314.385 2.264 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](NC(C)=O)C3)c2c1 ZINC000817364380 647277292 /nfs/dbraw/zinc/27/72/92/647277292.db2.gz DNXQLVLNHJJXLP-AWEZNQCLSA-N 0 3 314.385 2.264 20 10 DECDHN CC[C@@H]([NH2+]C[C@H]1CNCCO1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817982806 647399834 /nfs/dbraw/zinc/39/98/34/647399834.db2.gz HNAVQXLFVZVPBQ-DGCLKSJQSA-N 0 3 318.339 2.440 20 10 DECDHN C[C@H](CNC(=O)NCc1c([O-])cccc1F)[NH+]1CCC(C)CC1 ZINC000915073550 647475299 /nfs/dbraw/zinc/47/52/99/647475299.db2.gz VESDFPISWHXINC-CYBMUJFWSA-N 0 3 323.412 2.451 20 10 DECDHN O=[N+]([O-])c1ccc(CNCc2cc3c(cc2O)OCO3)cc1 ZINC000238131430 647574656 /nfs/dbraw/zinc/57/46/56/647574656.db2.gz BEDQBUPFWAOHTQ-UHFFFAOYSA-N 0 3 302.286 2.319 20 10 DECDHN [O-]c1ccccc1C[NH2+][C@@H](C1CCOCC1)C1(CO)CCC1 ZINC000822525624 648225505 /nfs/dbraw/zinc/22/55/05/648225505.db2.gz KFDBATLTQQOWNA-KRWDZBQOSA-N 0 3 305.418 2.440 20 10 DECDHN CCN(C(=O)c1ccc(N=NC(N)=O)cc1)C1CCN(C)CC1 ZINC000823348308 648400042 /nfs/dbraw/zinc/40/00/42/648400042.db2.gz SGEPLKGQYQFPMM-UHFFFAOYSA-N 0 3 317.393 2.405 20 10 DECDHN CC[C@H](CO)[N@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000824533547 648602634 /nfs/dbraw/zinc/60/26/34/648602634.db2.gz HMYQWNGSWCFPSE-LLVKDONJSA-N 0 3 318.211 2.366 20 10 DECDHN CC[C@H](CO)[N@@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000824533547 648602636 /nfs/dbraw/zinc/60/26/36/648602636.db2.gz HMYQWNGSWCFPSE-LLVKDONJSA-N 0 3 318.211 2.366 20 10 DECDHN COc1ccc(CNCc2cc(C(F)(F)F)nn2C)c(O)c1 ZINC000825752592 648809412 /nfs/dbraw/zinc/80/94/12/648809412.db2.gz FHSDHDHNIPSOAA-UHFFFAOYSA-N 0 3 315.295 2.443 20 10 DECDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c1[O-] ZINC000827132410 648978722 /nfs/dbraw/zinc/97/87/22/648978722.db2.gz MHPYBWLPGWYPBC-FZMZJTMJSA-N 0 3 308.809 2.455 20 10 DECDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c1[O-] ZINC000827132410 648978726 /nfs/dbraw/zinc/97/87/26/648978726.db2.gz MHPYBWLPGWYPBC-FZMZJTMJSA-N 0 3 308.809 2.455 20 10 DECDHN CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000834668381 649828128 /nfs/dbraw/zinc/82/81/28/649828128.db2.gz LHIQLXHZGSBDJG-BFHYXJOUSA-N 0 3 309.431 2.325 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@]3(CC3(F)F)C1)[C@@H](O)CO2 ZINC000844751838 651165272 /nfs/dbraw/zinc/16/52/72/651165272.db2.gz WBQYRYQFIXRGNO-DZGCQCFKSA-N 0 3 311.328 2.439 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@]3(CC3(F)F)C1)[C@@H](O)CO2 ZINC000844751838 651165275 /nfs/dbraw/zinc/16/52/75/651165275.db2.gz WBQYRYQFIXRGNO-DZGCQCFKSA-N 0 3 311.328 2.439 20 10 DECDHN CCN1C[C@H](C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])CC1=O ZINC000846097527 651307548 /nfs/dbraw/zinc/30/75/48/651307548.db2.gz QVDOWZTXDONFKI-JTQLQIEISA-N 0 3 312.797 2.012 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]CC[C@]2(O)CCCOC2)c1[O-] ZINC000846108116 651307973 /nfs/dbraw/zinc/30/79/73/651307973.db2.gz NYRNQRRCURRZQW-OAHLLOKOSA-N 0 3 315.797 2.075 20 10 DECDHN COc1cc(Br)cc([C@H](C)[NH2+]CCCO)c1[O-] ZINC000848514009 651465378 /nfs/dbraw/zinc/46/53/78/651465378.db2.gz KIANBPVLLDDSQR-QMMMGPOBSA-N 0 3 304.184 2.196 20 10 DECDHN Cc1cc(Cl)cc(C[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)c1[O-] ZINC000848928440 651563887 /nfs/dbraw/zinc/56/38/87/651563887.db2.gz DITWHOLDVWAJDS-ZDUSSCGKSA-N 0 3 310.781 2.427 20 10 DECDHN COc1ccc(N2CC[C@H](NCc3cc(C)nn3C)C2)cc1 ZINC000850347418 651905517 /nfs/dbraw/zinc/90/55/17/651905517.db2.gz RWWXJQDJGSDCAN-AWEZNQCLSA-N 0 3 300.406 2.106 20 10 DECDHN C[C@@H]([NH2+]CCN1C[C@@H]2CCCCN2C1=O)c1cc(F)ccc1[O-] ZINC000850560108 651952905 /nfs/dbraw/zinc/95/29/05/651952905.db2.gz BRZGBOPYKREXLG-OCCSQVGLSA-N 0 3 321.396 2.472 20 10 DECDHN C[C@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1cc(F)ccc1[O-] ZINC000850560102 651953026 /nfs/dbraw/zinc/95/30/26/651953026.db2.gz BRZGBOPYKREXLG-GXTWGEPZSA-N 0 3 321.396 2.472 20 10 DECDHN Nc1ccc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)cc1 ZINC000851633627 652193376 /nfs/dbraw/zinc/19/33/76/652193376.db2.gz OXZVURAIVBXHFZ-NEPJUHHUSA-N 0 3 318.295 2.191 20 10 DECDHN COC(=O)C1=CC[C@@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000862467262 686306347 /nfs/dbraw/zinc/30/63/47/686306347.db2.gz UNDAQQWAHBIQTR-GFCCVEGCSA-N 0 3 311.765 2.406 20 10 DECDHN CN(C)c1ccc(CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3C)cc1 ZINC000871763493 688862743 /nfs/dbraw/zinc/86/27/43/688862743.db2.gz JAZKESOMELSURJ-SJORKVTESA-N 0 3 316.449 2.131 20 10 DECDHN COc1cc(C)cc(CN(C)[C@@H]2CCCCN(C)C2=O)c1O ZINC000872673590 689062458 /nfs/dbraw/zinc/06/24/58/689062458.db2.gz OAJBMSIMPYBQSV-CQSZACIVSA-N 0 3 306.406 2.152 20 10 DECDHN CN(C)c1ccc(CNC(=O)[C@H]2CCN2C2CCCC2)cc1 ZINC000873829533 689315134 /nfs/dbraw/zinc/31/51/34/689315134.db2.gz RZOAGQZKJWLJGB-QGZVFWFLSA-N 0 3 301.434 2.386 20 10 DECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000876809745 689944261 /nfs/dbraw/zinc/94/42/61/689944261.db2.gz IVLAQQQGFQAYMX-WMLDXEAASA-N 0 3 315.417 2.380 20 10 DECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000876809745 689944263 /nfs/dbraw/zinc/94/42/63/689944263.db2.gz IVLAQQQGFQAYMX-WMLDXEAASA-N 0 3 315.417 2.380 20 10 DECDHN COC(=O)c1[nH]c(CNCc2ccc3c(c2)CCO3)cc1C ZINC000876996047 689993433 /nfs/dbraw/zinc/99/34/33/689993433.db2.gz MFFZQWYSPSHFJT-UHFFFAOYSA-N 0 3 300.358 2.334 20 10 DECDHN Cc1cccc([O-])c1C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000877479941 690125980 /nfs/dbraw/zinc/12/59/80/690125980.db2.gz YWBNDBNWVDIYBX-INIZCTEOSA-N 0 3 301.390 2.369 20 10 DECDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000877505814 690134083 /nfs/dbraw/zinc/13/40/83/690134083.db2.gz ZOLDGGWBVGWIHY-WMLDXEAASA-N 0 3 305.418 2.358 20 10 DECDHN CCC[C@@H](N)c1cn(Cc2cc(F)cc(C(C)=O)c2O)nn1 ZINC000880996094 691010817 /nfs/dbraw/zinc/01/08/17/691010817.db2.gz OKVDCEVEUWEUMR-CYBMUJFWSA-N 0 3 306.341 2.174 20 10 DECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)[C@@H]2C)O1 ZINC000886341403 692061524 /nfs/dbraw/zinc/06/15/24/692061524.db2.gz UQXNNPTVPHTXPN-MOROJQBDSA-N 0 3 321.417 2.463 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)NC2CCC2)N(C)C)cc1 ZINC001333807334 1150094026 /nfs/dbraw/zinc/09/40/26/1150094026.db2.gz IDLSXBZOYCHTDV-INIZCTEOSA-N 0 3 304.438 2.207 20 10 DECDHN C[NH+]1CCC(CCNC(=O)NCc2c([O-])cccc2F)CC1 ZINC001332285607 1149844324 /nfs/dbraw/zinc/84/43/24/1149844324.db2.gz UZSAIJCQFHVQID-UHFFFAOYSA-N 0 3 309.385 2.062 20 10 DECDHN O=C(C1CCN(Cc2c(O)cc(O)cc2O)CC1)C(F)(F)F ZINC001144509101 790940347 /nfs/dbraw/zinc/94/03/47/790940347.db2.gz LBKRFIPYNYRXFD-UHFFFAOYSA-N 0 3 319.279 2.147 20 10 DECDHN CCC[N@H+](Cc1c([O-])cc(O)cc1O)C1CCN(C(C)=O)CC1 ZINC001144515006 790942328 /nfs/dbraw/zinc/94/23/28/790942328.db2.gz AWLKRGPCPXEATA-UHFFFAOYSA-N 0 3 322.405 2.026 20 10 DECDHN CCC[N@@H+](Cc1c([O-])cc(O)cc1O)C1CCN(C(C)=O)CC1 ZINC001144515006 790942334 /nfs/dbraw/zinc/94/23/34/790942334.db2.gz AWLKRGPCPXEATA-UHFFFAOYSA-N 0 3 322.405 2.026 20 10 DECDHN COCCN1CCN(Cc2c(C)n(C)c3ccccc32)CC1 ZINC001138253926 796188308 /nfs/dbraw/zinc/18/83/08/796188308.db2.gz KUZGWWDCFLXWEF-UHFFFAOYSA-N 0 3 301.434 2.251 20 10 DECDHN CNC(=O)N[C@H]1CCCN(Cc2c(C)n(C)c3ccccc23)C1 ZINC001138259730 796189477 /nfs/dbraw/zinc/18/94/77/796189477.db2.gz NAECZYVJYRIXIP-AWEZNQCLSA-N 0 3 314.433 2.380 20 10 DECDHN CCOC(=O)[C@H]1[C@@H]2CN(Cc3ccc(N(C)C)c(C)c3)C[C@@H]21 ZINC001139674398 796408902 /nfs/dbraw/zinc/40/89/02/796408902.db2.gz YBWBLNDYQBAEKZ-QLPKVWCKSA-N 0 3 302.418 2.302 20 10 DECDHN Oc1ccc(F)cc1CN1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC001140056108 796470801 /nfs/dbraw/zinc/47/08/01/796470801.db2.gz IJWJRUOLBFYZKZ-CYBMUJFWSA-N 0 3 307.300 2.114 20 10 DECDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC001140056108 796470804 /nfs/dbraw/zinc/47/08/04/796470804.db2.gz IJWJRUOLBFYZKZ-CYBMUJFWSA-N 0 3 307.300 2.114 20 10 DECDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC001140056108 796470805 /nfs/dbraw/zinc/47/08/05/796470805.db2.gz IJWJRUOLBFYZKZ-CYBMUJFWSA-N 0 3 307.300 2.114 20 10 DECDHN Fc1cc(N2CCOCC2)ccc1CN1CC[C@]2(CCOC2)C1 ZINC001140659977 796551100 /nfs/dbraw/zinc/55/11/00/796551100.db2.gz BBNHIIOTCZJYSN-SFHVURJKSA-N 0 3 320.408 2.275 20 10 DECDHN C[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2F)[C@H]1CO ZINC001140660540 796552188 /nfs/dbraw/zinc/55/21/88/796552188.db2.gz VMRCTPFMJBHTSB-KDOFPFPSSA-N 0 3 322.424 2.255 20 10 DECDHN Fc1cc(N2CCOCC2)ccc1CN1CC[C@@]2(CCCO2)C1 ZINC001140660675 796552219 /nfs/dbraw/zinc/55/22/19/796552219.db2.gz ZYUMRUZRMFYKPQ-SFHVURJKSA-N 0 3 320.408 2.417 20 10 DECDHN CN(C)c1ccc(CN(C[C@@H](O)CO)C(C)(C)C)c(Cl)c1 ZINC001140922658 796597752 /nfs/dbraw/zinc/59/77/52/796597752.db2.gz YGWZOVZEDKJMJG-CQSZACIVSA-N 0 3 314.857 2.360 20 10 DECDHN COc1cc(O)c(CN2CC[C@H]3CCCO[C@@H]3C2)c(OC)c1 ZINC001141026253 796620613 /nfs/dbraw/zinc/62/06/13/796620613.db2.gz JGJDDEOYCWDUBM-SJKOYZFVSA-N 0 3 307.390 2.410 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)c(OC)c1 ZINC001141026253 796620614 /nfs/dbraw/zinc/62/06/14/796620614.db2.gz JGJDDEOYCWDUBM-SJKOYZFVSA-N 0 3 307.390 2.410 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)c(OC)c1 ZINC001141026253 796620616 /nfs/dbraw/zinc/62/06/16/796620616.db2.gz JGJDDEOYCWDUBM-SJKOYZFVSA-N 0 3 307.390 2.410 20 10 DECDHN CC(=O)N[C@@H]1CCN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141078522 796633075 /nfs/dbraw/zinc/63/30/75/796633075.db2.gz ZEKIQMUESMMEPF-GOSISDBHSA-N 0 3 313.445 2.096 20 10 DECDHN CC[C@H]1N(Cc2ccc(O)c(O)c2)CCC[C@]12CCC(=O)N2 ZINC001203877124 798185157 /nfs/dbraw/zinc/18/51/57/798185157.db2.gz MJZJYNJIMPNRJZ-WBVHZDCISA-N 0 3 304.390 2.121 20 10 DECDHN CCOC[C@H]1Cn2nccc2CN(Cc2ccccc2O)C1 ZINC001203552137 800077992 /nfs/dbraw/zinc/07/79/92/800077992.db2.gz BVMCZXYJABBKRN-CQSZACIVSA-N 0 3 301.390 2.257 20 10 DECDHN COc1ccnc(O[C@H]2CC[N@H+](Cc3ccccc3[O-])C2)c1 ZINC001203561291 800081434 /nfs/dbraw/zinc/08/14/34/800081434.db2.gz PJOJZWIOYLOBRU-HNNXBMFYSA-N 0 3 300.358 2.449 20 10 DECDHN COc1ccnc(O[C@H]2CC[N@@H+](Cc3ccccc3[O-])C2)c1 ZINC001203561291 800081443 /nfs/dbraw/zinc/08/14/43/800081443.db2.gz PJOJZWIOYLOBRU-HNNXBMFYSA-N 0 3 300.358 2.449 20 10 DECDHN COc1ccc(CN(C)CCNC(=O)OC(C)(C)C)c(O)c1 ZINC001203621521 800090966 /nfs/dbraw/zinc/09/09/66/800090966.db2.gz WQYAUCYIVNYSFT-UHFFFAOYSA-N 0 3 310.394 2.357 20 10 DECDHN COc1ccc(C[N@H+](C)CCNC(=O)OC(C)(C)C)c([O-])c1 ZINC001203621521 800090974 /nfs/dbraw/zinc/09/09/74/800090974.db2.gz WQYAUCYIVNYSFT-UHFFFAOYSA-N 0 3 310.394 2.357 20 10 DECDHN COc1ccc(C[N@@H+](C)CCNC(=O)OC(C)(C)C)c([O-])c1 ZINC001203621521 800090983 /nfs/dbraw/zinc/09/09/83/800090983.db2.gz WQYAUCYIVNYSFT-UHFFFAOYSA-N 0 3 310.394 2.357 20 10 DECDHN COc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)N(C)C)CC2)c([O-])c1 ZINC001203630945 800095346 /nfs/dbraw/zinc/09/53/46/800095346.db2.gz YDHLALVOZUCYBK-OAHLLOKOSA-N 0 3 318.417 2.091 20 10 DECDHN COc1ccc(C[N@@H+]2CC[C@@H](Oc3nccnc3C)C2)c([O-])c1 ZINC001203635050 800096772 /nfs/dbraw/zinc/09/67/72/800096772.db2.gz HPZAVUIVXQYJOE-OAHLLOKOSA-N 0 3 315.373 2.153 20 10 DECDHN COc1ccc(C[N@H+]2CC[C@@H](Oc3nccnc3C)C2)c([O-])c1 ZINC001203635050 800096775 /nfs/dbraw/zinc/09/67/75/800096775.db2.gz HPZAVUIVXQYJOE-OAHLLOKOSA-N 0 3 315.373 2.153 20 10 DECDHN CC(=O)N1CCCCC12CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001204275286 800198402 /nfs/dbraw/zinc/19/84/02/800198402.db2.gz NRXYBIGRRVNTQG-UHFFFAOYSA-N 0 3 318.417 2.465 20 10 DECDHN O=C([C@@H]1CCC[N@@H+](Cc2ccc(O)cc2[O-])C1)N1CCCCC1 ZINC001204275613 800199272 /nfs/dbraw/zinc/19/92/72/800199272.db2.gz XAWKLGCITYQMGJ-OAHLLOKOSA-N 0 3 318.417 2.322 20 10 DECDHN O=C([C@@H]1CCC[N@H+](Cc2ccc(O)cc2[O-])C1)N1CCCCC1 ZINC001204275613 800199278 /nfs/dbraw/zinc/19/92/78/800199278.db2.gz XAWKLGCITYQMGJ-OAHLLOKOSA-N 0 3 318.417 2.322 20 10 DECDHN CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(O)cc3[O-])C[C@H]21 ZINC001204275784 800199430 /nfs/dbraw/zinc/19/94/30/800199430.db2.gz AWTVOSUJGLXORB-NHAGDIPZSA-N 0 3 320.389 2.053 20 10 DECDHN CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(O)cc3[O-])C[C@H]21 ZINC001204275784 800199434 /nfs/dbraw/zinc/19/94/34/800199434.db2.gz AWTVOSUJGLXORB-NHAGDIPZSA-N 0 3 320.389 2.053 20 10 DECDHN CCOc1ccc(N2CCN(CCCC3OCCO3)CC2)cc1 ZINC001209308972 801168116 /nfs/dbraw/zinc/16/81/16/801168116.db2.gz MGDOMOSRGFRCSA-UHFFFAOYSA-N 0 3 320.433 2.360 20 10 DECDHN Cc1cc(C)c(CN2CCN(C[C@@H]3CCCO3)CC2)c(O)c1 ZINC001231844057 801735689 /nfs/dbraw/zinc/73/56/89/801735689.db2.gz GEHCBCUDZDPYIR-INIZCTEOSA-N 0 3 304.434 2.306 20 10 DECDHN C[C@@]1(O)CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232194261 801813243 /nfs/dbraw/zinc/81/32/43/801813243.db2.gz GXCAOIAETDGUHL-MRXNPFEDSA-N 0 3 310.825 2.133 20 10 DECDHN C[C@H](Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O)C1C[NH2+]C1 ZINC001218197120 802154399 /nfs/dbraw/zinc/15/43/99/802154399.db2.gz YRGMIVKTWAOACO-JTQLQIEISA-N 0 3 323.348 2.154 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](F)[C@@H](O)C3)c2c1 ZINC001234525860 802403434 /nfs/dbraw/zinc/40/34/34/802403434.db2.gz LSWVQBLWLAMMQK-WBVHZDCISA-N 0 3 305.349 2.459 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](F)[C@@H](O)C3)c2c1 ZINC001234525860 802403439 /nfs/dbraw/zinc/40/34/39/802403439.db2.gz LSWVQBLWLAMMQK-WBVHZDCISA-N 0 3 305.349 2.459 20 10 DECDHN CN1CCCC[C@H]1CNC(=O)NCc1cc(Cl)ccc1O ZINC001345390765 1150886294 /nfs/dbraw/zinc/88/62/94/1150886294.db2.gz FUMRBLFOFLCWLS-ZDUSSCGKSA-N 0 3 311.813 2.329 20 10 DECDHN C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604339604 1070339570 /nfs/dbraw/zinc/33/95/70/1070339570.db2.gz ZYZBWFYMQXMCHH-GFCCVEGCSA-N 0 3 306.406 2.473 20 10 DECDHN CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc(O)c1[O-] ZINC001472331243 1060476720 /nfs/dbraw/zinc/47/67/20/1060476720.db2.gz PQOGAGPUOONKIH-UKRRQHHQSA-N 0 3 318.417 2.433 20 10 DECDHN CCC(=O)N1CCCN(Cc2c(C)cc(OC)cc2O)CC1 ZINC001621168952 1078170819 /nfs/dbraw/zinc/17/08/19/1078170819.db2.gz QDFBUKLMARAHNH-UHFFFAOYSA-N 0 3 306.406 2.154 20 10 DECDHN CC1(C)CCN(CCNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001637200033 1078508066 /nfs/dbraw/zinc/50/80/66/1078508066.db2.gz ASKDEDVSXYDCHH-UHFFFAOYSA-N 0 3 317.393 2.311 20 10 DECDHN [NH3+]CC[C@H](NCc1ccc(Br)cc1[O-])C(F)F ZINC001580284598 1067550969 /nfs/dbraw/zinc/55/09/69/1067550969.db2.gz KVMPWESZOLYRFQ-VIFPVBQESA-N 0 3 309.154 2.227 20 10 DECDHN COCC[C@H](N)C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001573975452 1069138695 /nfs/dbraw/zinc/13/86/95/1069138695.db2.gz LLJKFCHLWDXRMA-KRWDZBQOSA-N 0 3 315.417 2.074 20 10 DECDHN CN(C)c1ccc(/C=C\CN2CCC([C@H](F)C(N)=O)CC2)cc1 ZINC001653047437 1079910739 /nfs/dbraw/zinc/91/07/39/1079910739.db2.gz FZVBDILSAISLMD-LIMHQNJXSA-N 0 3 319.424 2.301 20 10 DECDHN COc1cc(C)c(C[NH+]2CCC([C@H]3COC(=O)N3)CC2)c([O-])c1 ZINC001653180815 1079916439 /nfs/dbraw/zinc/91/64/39/1079916439.db2.gz DFUXYDWMZVRHCJ-OAHLLOKOSA-N 0 3 320.389 2.030 20 10 DECDHN COC(=O)[C@@H]1C[C@@H]2C[C@@H]([NH2+]Cc3ccc(OC)cc3[O-])[C@H]2C1 ZINC001664450187 1080911591 /nfs/dbraw/zinc/91/15/91/1080911591.db2.gz CCRMWPWWIOXJTE-RJZRQDKASA-N 0 3 305.374 2.078 20 10 DECDHN COc1ccc(CNC2(CNC(=O)CCCF)CC2)cc1C ZINC001269468429 1081257332 /nfs/dbraw/zinc/25/73/32/1081257332.db2.gz JRASHLYTLACEAJ-UHFFFAOYSA-N 0 3 308.397 2.492 20 10 DECDHN COc1ccc(N2CC[C@H]3CN(Cc4cn[nH]c4)C[C@H]32)c(C)c1 ZINC001277018295 1083734651 /nfs/dbraw/zinc/73/46/51/1083734651.db2.gz GVEDEQRZROYXFD-MAUKXSAKSA-N 0 3 312.417 2.437 20 10 DECDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@@]3(CCNC3=O)C2)c([O-])c1 ZINC001235681336 1084496012 /nfs/dbraw/zinc/49/60/12/1084496012.db2.gz HRTCJMYZNAXIHF-SFHVURJKSA-N 0 3 302.418 2.402 20 10 DECDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@@]3(CCNC3=O)C2)c([O-])c1 ZINC001235681336 1084496015 /nfs/dbraw/zinc/49/60/15/1084496015.db2.gz HRTCJMYZNAXIHF-SFHVURJKSA-N 0 3 302.418 2.402 20 10 DECDHN COC(=O)[C@@H]1CN(Cc2ccc(C(C)(C)C)cc2O)CCCO1 ZINC001235681483 1084496058 /nfs/dbraw/zinc/49/60/58/1084496058.db2.gz MMILOOXYYRNZEB-INIZCTEOSA-N 0 3 321.417 2.454 20 10 DECDHN CCCCN1CC[C@@]2(CC[N@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001272983080 1085780368 /nfs/dbraw/zinc/78/03/68/1085780368.db2.gz OVBKVHPGXIJTAH-GOSISDBHSA-N 0 3 318.417 2.322 20 10 DECDHN CCCCN1CC[C@@]2(CC[N@@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001272983080 1085780376 /nfs/dbraw/zinc/78/03/76/1085780376.db2.gz OVBKVHPGXIJTAH-GOSISDBHSA-N 0 3 318.417 2.322 20 10 DECDHN Cc1cc(CN2CCC[C@H]2CO)c(O)cc1Br ZINC001250120666 1091874363 /nfs/dbraw/zinc/87/43/63/1091874363.db2.gz MAAKEKJXVWGANR-NSHDSACASA-N 0 3 300.196 2.420 20 10 DECDHN Cc1cc(C[N@@H+]2CCC[C@H]2CO)c([O-])cc1Br ZINC001250120666 1091874371 /nfs/dbraw/zinc/87/43/71/1091874371.db2.gz MAAKEKJXVWGANR-NSHDSACASA-N 0 3 300.196 2.420 20 10 DECDHN Cc1cc(C[N@H+]2CCC[C@H]2CO)c([O-])cc1Br ZINC001250120666 1091874377 /nfs/dbraw/zinc/87/43/77/1091874377.db2.gz MAAKEKJXVWGANR-NSHDSACASA-N 0 3 300.196 2.420 20 10 DECDHN Oc1ccc(CN2CC[C@H]3[C@@H]2CCN3Cc2ccc[nH]2)cc1O ZINC001275821537 1092180791 /nfs/dbraw/zinc/18/07/91/1092180791.db2.gz SRUSJXOEFQIBAN-HOTGVXAUSA-N 0 3 313.401 2.275 20 10 DECDHN CC(C)NC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc(F)ccc1[O-] ZINC001275912897 1092294433 /nfs/dbraw/zinc/29/44/33/1092294433.db2.gz HAFHIZXZFYSOSV-GJZGRUSLSA-N 0 3 321.396 2.298 20 10 DECDHN CC(C)NC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cc(F)ccc1[O-] ZINC001275912897 1092294452 /nfs/dbraw/zinc/29/44/52/1092294452.db2.gz HAFHIZXZFYSOSV-GJZGRUSLSA-N 0 3 321.396 2.298 20 10 DECDHN CC[N@H+](Cc1cc(O)c(Br)cc1[O-])CC(C)(C)O ZINC001236772379 1138422960 /nfs/dbraw/zinc/42/29/60/1138422960.db2.gz ZRERTTFYIRMMJS-UHFFFAOYSA-N 0 3 318.211 2.453 20 10 DECDHN CC[N@@H+](Cc1cc(O)c(Br)cc1[O-])CC(C)(C)O ZINC001236772379 1138422963 /nfs/dbraw/zinc/42/29/63/1138422963.db2.gz ZRERTTFYIRMMJS-UHFFFAOYSA-N 0 3 318.211 2.453 20 10 DECDHN COC(=O)[C@H]1C[N@H+](Cc2cc3ccccc3cc2[O-])CCCO1 ZINC001236837089 1138441701 /nfs/dbraw/zinc/44/17/01/1138441701.db2.gz NDBWWFYLYMECGP-QGZVFWFLSA-N 0 3 315.369 2.309 20 10 DECDHN COC(=O)[C@H]1C[N@@H+](Cc2cc3ccccc3cc2[O-])CCCO1 ZINC001236837089 1138441704 /nfs/dbraw/zinc/44/17/04/1138441704.db2.gz NDBWWFYLYMECGP-QGZVFWFLSA-N 0 3 315.369 2.309 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCCC(=O)N3)C2)c([O-])c1 ZINC001237040108 1138486430 /nfs/dbraw/zinc/48/64/30/1138486430.db2.gz DSVVOPCSHSPFKF-SFHVURJKSA-N 0 3 318.417 2.426 20 10 DECDHN CCOc1ccc(C[N@H+]2CCC[C@@]3(CCCC(=O)N3)C2)c([O-])c1 ZINC001237040108 1138486434 /nfs/dbraw/zinc/48/64/34/1138486434.db2.gz DSVVOPCSHSPFKF-SFHVURJKSA-N 0 3 318.417 2.426 20 10 DECDHN O=S1(=O)CCN(c2ccc(CN3C4CCC3CC4)cc2)CC1 ZINC001237212227 1138536378 /nfs/dbraw/zinc/53/63/78/1138536378.db2.gz LPYCFXBDWFDZEU-UHFFFAOYSA-N 0 3 320.458 2.048 20 10 DECDHN NC(=O)C1=CC2(CC1)CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001278254710 1138860373 /nfs/dbraw/zinc/86/03/73/1138860373.db2.gz FCHZYEWECQVKEC-UHFFFAOYSA-N 0 3 304.365 2.319 20 10 DECDHN COc1ccc(N2CCCN(Cc3cc(C)[nH]n3)CC2)cc1 ZINC001319705623 1140675610 /nfs/dbraw/zinc/67/56/10/1140675610.db2.gz MLZRVCTZNCANKB-UHFFFAOYSA-N 0 3 300.406 2.439 20 10 DECDHN CC(=O)c1cc(-c2noc(C[C@@H]([NH3+])c3ccccc3[O-])n2)ccn1 ZINC001249339381 1141876808 /nfs/dbraw/zinc/87/68/08/1141876808.db2.gz NNHYCOLDKCPJGA-CYBMUJFWSA-N 0 3 324.340 2.282 20 10 DECDHN [O-]c1cc(O)ccc1C[NH2+]C[C@@H](O)CCOCc1ccccc1 ZINC001253294141 1142861970 /nfs/dbraw/zinc/86/19/70/1142861970.db2.gz PJQWGIPLJRAXFJ-KRWDZBQOSA-N 0 3 317.385 2.155 20 10 DECDHN Cc1cc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)[nH]n1 ZINC001338751776 1142875948 /nfs/dbraw/zinc/87/59/48/1142875948.db2.gz QZKKKMUJKDBLKT-AWEZNQCLSA-N 0 3 300.406 2.406 20 10 DECDHN Cc1cc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)n[nH]1 ZINC001338751776 1142875949 /nfs/dbraw/zinc/87/59/49/1142875949.db2.gz QZKKKMUJKDBLKT-AWEZNQCLSA-N 0 3 300.406 2.406 20 10 DECDHN CCOC(=O)C[C@H](O)CN(C)Cc1ccc(N2CCCC2)cc1 ZINC001253798660 1142940288 /nfs/dbraw/zinc/94/02/88/1142940288.db2.gz YIJSIQLVRZXGGD-KRWDZBQOSA-N 0 3 320.433 2.033 20 10 DECDHN COc1cccc(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC001253975652 1143015333 /nfs/dbraw/zinc/01/53/33/1143015333.db2.gz KZQYBJBHXAVQDW-ZIAGYGMSSA-N 0 3 317.385 2.491 20 10 DECDHN O=S1(=O)CCCC[C@H]1CNCc1ccc(N2CCCC2)cc1 ZINC001325300530 1147890983 /nfs/dbraw/zinc/89/09/83/1147890983.db2.gz RAHKENDLSOFLBM-KRWDZBQOSA-N 0 3 322.474 2.344 20 10 DECDHN CCN1CCC(NC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000031727521 354139617 /nfs/dbraw/zinc/13/96/17/354139617.db2.gz KWESFVGAAUPIMB-UHFFFAOYSA-N 0 3 304.438 2.036 20 10 DECDHN NC(=O)N1CCCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000092753985 193188971 /nfs/dbraw/zinc/18/89/71/193188971.db2.gz VYJRCTBLZFWBKO-UHFFFAOYSA-N 0 3 316.449 2.263 20 10 DECDHN C[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccccc1[O-] ZINC000183448167 533426658 /nfs/dbraw/zinc/42/66/58/533426658.db2.gz OGBKDVIVOINDKK-PBHICJAKSA-N 0 3 322.474 2.251 20 10 DECDHN CCCOc1ccc(C[NH2+][C@@H]2C[C@H](OCC)[C@@H]2OC)c([O-])c1 ZINC000274912055 130273714 /nfs/dbraw/zinc/27/37/14/130273714.db2.gz JYFYTWMVUYQWFK-HYVNUMGLSA-N 0 3 309.406 2.463 20 10 DECDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000285488650 131173205 /nfs/dbraw/zinc/17/32/05/131173205.db2.gz LWLRQIXNDKVOAU-INIZCTEOSA-N 0 3 317.433 2.470 20 10 DECDHN COCCC(=O)N1CCC([NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000186128558 402403679 /nfs/dbraw/zinc/40/36/79/402403679.db2.gz CNXRDPYCYKQBMW-GFCCVEGCSA-N 0 3 324.396 2.209 20 10 DECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCCCS(C)(=O)=O)c1 ZINC000186868906 402468388 /nfs/dbraw/zinc/46/83/88/402468388.db2.gz FZVUAKWVIDDYCO-GFCCVEGCSA-N 0 3 315.435 2.266 20 10 DECDHN C[C@H](N[C@@H]1C[C@H](O)C1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000187677726 402507626 /nfs/dbraw/zinc/50/76/26/402507626.db2.gz PYRYEFXLAQBHRA-VUCTXSBTSA-N 0 3 322.424 2.472 20 10 DECDHN C[C@@H](N[C@H]1C[C@H](O)C1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000187677776 402507863 /nfs/dbraw/zinc/50/78/63/402507863.db2.gz PYRYEFXLAQBHRA-DQYPLSBCSA-N 0 3 322.424 2.472 20 10 DECDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c1 ZINC000179702408 402598161 /nfs/dbraw/zinc/59/81/61/402598161.db2.gz ZUQMULRRVLLKCA-AWEZNQCLSA-N 0 3 318.417 2.139 20 10 DECDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c1 ZINC000179702408 402598163 /nfs/dbraw/zinc/59/81/63/402598163.db2.gz ZUQMULRRVLLKCA-AWEZNQCLSA-N 0 3 318.417 2.139 20 10 DECDHN Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000271352555 402860909 /nfs/dbraw/zinc/86/09/09/402860909.db2.gz LRAFGVZMRBBGQT-ZBFHGGJFSA-N 0 3 301.390 2.071 20 10 DECDHN Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000271352555 402860911 /nfs/dbraw/zinc/86/09/11/402860911.db2.gz LRAFGVZMRBBGQT-ZBFHGGJFSA-N 0 3 301.390 2.071 20 10 DECDHN Cc1cccc(C[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)c1[O-] ZINC000271876979 402884829 /nfs/dbraw/zinc/88/48/29/402884829.db2.gz ZPFRIXAQBGRKCS-IAGOWNOFSA-N 0 3 301.386 2.275 20 10 DECDHN Cn1cc2c(n1)CCC[C@H]2NCc1cc2c(cc1O)OCO2 ZINC000283017476 403165339 /nfs/dbraw/zinc/16/53/39/403165339.db2.gz PDIBUKKEBOFMTJ-GFCCVEGCSA-N 0 3 301.346 2.022 20 10 DECDHN COc1ccc([O-])c(C[NH2+]C2CCN(c3cc(C)[nH]n3)CC2)c1 ZINC000275956832 403135244 /nfs/dbraw/zinc/13/52/44/403135244.db2.gz JWSHDLDZWUIQDV-UHFFFAOYSA-N 0 3 316.405 2.191 20 10 DECDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@](C)(O)C(=O)OCC ZINC000282412532 403151485 /nfs/dbraw/zinc/15/14/85/403151485.db2.gz IOULCIRAMNBGAZ-QGZVFWFLSA-N 0 3 309.406 2.308 20 10 DECDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@](C)(O)C(=O)OCC ZINC000282412532 403151487 /nfs/dbraw/zinc/15/14/87/403151487.db2.gz IOULCIRAMNBGAZ-QGZVFWFLSA-N 0 3 309.406 2.308 20 10 DECDHN CCOCC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000277623611 403237979 /nfs/dbraw/zinc/23/79/79/403237979.db2.gz GLOUSMQICBSXRL-IAGOWNOFSA-N 0 3 323.433 2.161 20 10 DECDHN CCOCC[C@@H](O)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000277623611 403237982 /nfs/dbraw/zinc/23/79/82/403237982.db2.gz GLOUSMQICBSXRL-IAGOWNOFSA-N 0 3 323.433 2.161 20 10 DECDHN Cc1ccc([O-])c(C[NH2+]CCn2cc(Br)cn2)c1 ZINC000285387080 403285128 /nfs/dbraw/zinc/28/51/28/403285128.db2.gz CYYKLMYIZZWGDA-UHFFFAOYSA-N 0 3 310.195 2.449 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)cc1OC ZINC000295185131 403787048 /nfs/dbraw/zinc/78/70/48/403787048.db2.gz IDGRKCSXRKWCFF-ZDUSSCGKSA-N 0 3 309.406 2.392 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CC[C@H](O)CC(C)(C)C2)cc1OC ZINC000295185131 403787051 /nfs/dbraw/zinc/78/70/51/403787051.db2.gz IDGRKCSXRKWCFF-ZDUSSCGKSA-N 0 3 309.406 2.392 20 10 DECDHN CCN(CC)c1ccc(CNC[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000290207626 404081905 /nfs/dbraw/zinc/08/19/05/404081905.db2.gz VLMJZOISYRYBHF-MRXNPFEDSA-N 0 3 324.490 2.447 20 10 DECDHN COc1ccc(O)c(CN2CCC[C@H](N3CCCCC3=O)C2)c1 ZINC000364069000 404305829 /nfs/dbraw/zinc/30/58/29/404305829.db2.gz FKMUCTQTAUACIQ-HNNXBMFYSA-N 0 3 318.417 2.378 20 10 DECDHN Cn1nccc1N1CCC[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000296626101 404311254 /nfs/dbraw/zinc/31/12/54/404311254.db2.gz ZNWJNLXQMBREPW-CABCVRRESA-N 0 3 312.417 2.372 20 10 DECDHN Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2[O-])cn1 ZINC000374901693 227140755 /nfs/dbraw/zinc/14/07/55/227140755.db2.gz WXVABGXNLCFOGJ-RDJZCZTQSA-N 0 3 319.380 2.353 20 10 DECDHN Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2Cc2cc(F)ccc2[O-])cn1 ZINC000374901693 227140759 /nfs/dbraw/zinc/14/07/59/227140759.db2.gz WXVABGXNLCFOGJ-RDJZCZTQSA-N 0 3 319.380 2.353 20 10 DECDHN CCOc1ccc(O)c(CN[C@H]2COc3ccccc3[C@@H]2O)c1 ZINC000377400774 227190379 /nfs/dbraw/zinc/19/03/79/227190379.db2.gz GYQZLTHDNFMGFX-YJBOKZPZSA-N 0 3 315.369 2.375 20 10 DECDHN CCOc1ccc([O-])c(C[NH2+][C@H]2COc3ccccc3[C@@H]2O)c1 ZINC000377400774 227190383 /nfs/dbraw/zinc/19/03/83/227190383.db2.gz GYQZLTHDNFMGFX-YJBOKZPZSA-N 0 3 315.369 2.375 20 10 DECDHN COc1ccc(O)c(CN2CCCC[C@@H]2C(=O)N2CCCC2)c1 ZINC000368460749 534198227 /nfs/dbraw/zinc/19/82/27/534198227.db2.gz CBXGWULVSZQGNS-MRXNPFEDSA-N 0 3 318.417 2.378 20 10 DECDHN CCCOc1ccc(CN2CCN(CCOCC)CC2)c(O)c1 ZINC000127467683 520348182 /nfs/dbraw/zinc/34/81/82/520348182.db2.gz GKXWGLPUEZTSSY-UHFFFAOYSA-N 0 3 322.449 2.335 20 10 DECDHN CCN(CC)c1ccc(CN2CCN(C[C@@H](C)O)CC2)cc1 ZINC000188722038 520892614 /nfs/dbraw/zinc/89/26/14/520892614.db2.gz DWZKAYJHZIGELL-MRXNPFEDSA-N 0 3 305.466 2.031 20 10 DECDHN CN(C)C(=O)CC1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000180324413 523973807 /nfs/dbraw/zinc/97/38/07/523973807.db2.gz IWNHOBNETZGWJF-UHFFFAOYSA-N 0 3 303.450 2.443 20 10 DECDHN COCCOC[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000271172705 524022308 /nfs/dbraw/zinc/02/23/08/524022308.db2.gz FZSUGYJAKGKOTN-OAHLLOKOSA-N 0 3 310.413 2.377 20 10 DECDHN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000157550263 524893428 /nfs/dbraw/zinc/89/34/28/524893428.db2.gz ZXCPKFMKZSKMBH-DGAVXFQQSA-N 0 3 320.433 2.406 20 10 DECDHN C[C@@H]1CN(Cc2ccc(N(C)C)cc2)CCN1CC(C)(C)O ZINC000188898637 524995994 /nfs/dbraw/zinc/99/59/94/524995994.db2.gz LSWCDBJKWYRADK-OAHLLOKOSA-N 0 3 305.466 2.030 20 10 DECDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H](CO)C2)c1[O-] ZINC000179954017 526156852 /nfs/dbraw/zinc/15/68/52/526156852.db2.gz UWHXMTVYIYHLTC-JTQLQIEISA-N 0 3 300.196 2.277 20 10 DECDHN Cc1cc(Br)cc(C[N@H+]2CC[C@H](CO)C2)c1[O-] ZINC000179954017 526156859 /nfs/dbraw/zinc/15/68/59/526156859.db2.gz UWHXMTVYIYHLTC-JTQLQIEISA-N 0 3 300.196 2.277 20 10 DECDHN O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000179934484 527596833 /nfs/dbraw/zinc/59/68/33/527596833.db2.gz PPUFRNDHCIFKAS-CYBMUJFWSA-N 0 3 306.381 2.270 20 10 DECDHN O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000179934484 527596837 /nfs/dbraw/zinc/59/68/37/527596837.db2.gz PPUFRNDHCIFKAS-CYBMUJFWSA-N 0 3 306.381 2.270 20 10 DECDHN CC(C)[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])N1CCN(C)CC1 ZINC000194261184 528465793 /nfs/dbraw/zinc/46/57/93/528465793.db2.gz RJXIRIPSISKMOA-DOTOQJQBSA-N 0 3 305.466 2.315 20 10 DECDHN CO[C@H](C)CCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247572 623792631 /nfs/dbraw/zinc/79/26/31/623792631.db2.gz IGJHHZZLCLAZTI-RHSMWYFYSA-N 0 3 321.465 2.287 20 10 DECDHN CCC[C@@](C)(O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251065 623797293 /nfs/dbraw/zinc/79/72/93/623797293.db2.gz CUXVOBBFESLMRC-FUHWJXTLSA-N 0 3 321.465 2.023 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc[nH]2)N(C)C)cc1 ZINC000891254743 623800202 /nfs/dbraw/zinc/80/02/02/623800202.db2.gz IUFFSMHVUAGKRG-INIZCTEOSA-N 0 3 300.406 2.113 20 10 DECDHN CCN(CC)CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000065619650 625126547 /nfs/dbraw/zinc/12/65/47/625126547.db2.gz HRXCDYYCHVGREV-OAHLLOKOSA-N 0 3 319.449 2.042 20 10 DECDHN CSCCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000892655501 625230136 /nfs/dbraw/zinc/23/01/36/625230136.db2.gz RYZATJFZUIZFKY-OAHLLOKOSA-N 0 3 324.494 2.018 20 10 DECDHN O=C1[C@H](NCc2ccc3c(c2)CCCO3)C[C@@H]2CCCCN12 ZINC000922171902 635964620 /nfs/dbraw/zinc/96/46/20/635964620.db2.gz KWFDFSAFIGTZHX-JKSUJKDBSA-N 0 3 300.402 2.255 20 10 DECDHN CNC(=O)NC1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000840974235 635977338 /nfs/dbraw/zinc/97/73/38/635977338.db2.gz BYVITINVKHASAJ-PLNGDYQASA-N 0 3 316.449 2.159 20 10 DECDHN C[NH+](C)CCOC1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000894016326 636093257 /nfs/dbraw/zinc/09/32/57/636093257.db2.gz BCDSOMBRLJALPS-UHFFFAOYSA-N 0 3 314.376 2.213 20 10 DECDHN CCOc1ccc(C[NH2+]C[C@@]2(OC(C)C)CCOC2)c([O-])c1 ZINC000922612105 636281670 /nfs/dbraw/zinc/28/16/70/636281670.db2.gz VTVBVKUSNUMIPO-KRWDZBQOSA-N 0 3 309.406 2.465 20 10 DECDHN COc1cc(C)cc(CNCC(=O)NCc2ccccc2)c1O ZINC000894212008 636476914 /nfs/dbraw/zinc/47/69/14/636476914.db2.gz VWOCTJILHVVZQY-UHFFFAOYSA-N 0 3 314.385 2.115 20 10 DECDHN [O-]c1cc2c(cc1C[NH2+][C@H](C1CC1)[C@@H]1CCCOC1)OCO2 ZINC000922895181 636781133 /nfs/dbraw/zinc/78/11/33/636781133.db2.gz CUSAUWIBKRLVPO-SJKOYZFVSA-N 0 3 305.374 2.416 20 10 DECDHN C[NH+](C)C1CCC(NC(=O)NCc2c([O-])cccc2F)CC1 ZINC000922937188 636867875 /nfs/dbraw/zinc/86/78/75/636867875.db2.gz MIXZECZYOZYXFI-UHFFFAOYSA-N 0 3 309.385 2.203 20 10 DECDHN O=C(NCc1c([O-])cccc1F)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000923128977 636984205 /nfs/dbraw/zinc/98/42/05/636984205.db2.gz OTFQUWPWUAFSQW-LSDHHAIUSA-N 0 3 321.396 2.347 20 10 DECDHN O=C(NCc1c([O-])cccc1F)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000923128977 636984211 /nfs/dbraw/zinc/98/42/11/636984211.db2.gz OTFQUWPWUAFSQW-LSDHHAIUSA-N 0 3 321.396 2.347 20 10 DECDHN O=C(NCc1c([O-])cccc1F)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000923450170 637188488 /nfs/dbraw/zinc/18/84/88/637188488.db2.gz FSPAJQLOKXQFMO-CYBMUJFWSA-N 0 3 321.396 2.347 20 10 DECDHN O=C(NCc1c([O-])cccc1F)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000923450170 637188495 /nfs/dbraw/zinc/18/84/95/637188495.db2.gz FSPAJQLOKXQFMO-CYBMUJFWSA-N 0 3 321.396 2.347 20 10 DECDHN CC[C@@H](CNCc1cc(F)c(N(C)C)cc1F)C(=O)OC ZINC000895140606 637656249 /nfs/dbraw/zinc/65/62/49/637656249.db2.gz UZXZGBKAPXJPJS-JTQLQIEISA-N 0 3 300.349 2.320 20 10 DECDHN Cc1ncc(CNCc2ccc(N3CCN(C)CC3)cc2)o1 ZINC000839169744 637808605 /nfs/dbraw/zinc/80/86/05/637808605.db2.gz IUCRXHOPGZSBGZ-UHFFFAOYSA-N 0 3 300.406 2.025 20 10 DECDHN Cc1cc(N(C)C)ccc1CNCc1cnc(N(C)C)n1C ZINC000840897531 650372566 /nfs/dbraw/zinc/37/25/66/650372566.db2.gz LQAAWKTWBHXWKJ-UHFFFAOYSA-N 0 3 301.438 2.150 20 10 DECDHN CCS(=O)(=O)CCC[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000840973828 650397909 /nfs/dbraw/zinc/39/79/09/650397909.db2.gz WFVDNFMCFIHXIA-UHFFFAOYSA-N 0 3 305.827 2.268 20 10 DECDHN CCO[C@@H](C[NH2+]Cc1cc(Cl)c(C)cc1[O-])CN(C)C ZINC000896876222 638748317 /nfs/dbraw/zinc/74/83/17/638748317.db2.gz CFQLWAYPCULQTN-ZDUSSCGKSA-N 0 3 300.830 2.410 20 10 DECDHN CCO[C@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000897067919 639155454 /nfs/dbraw/zinc/15/54/54/639155454.db2.gz DVAGIAAHKMKGSV-HNNXBMFYSA-N 0 3 308.397 2.273 20 10 DECDHN C[C@@H]1C[C@H]([NH2+]CCN2CCOC[C@@H]2C)c2c1c(F)ccc2[O-] ZINC000756536841 639670470 /nfs/dbraw/zinc/67/04/70/639670470.db2.gz VZJQQAISWNVENH-DYEKYZERSA-N 0 3 308.397 2.390 20 10 DECDHN CN(C)c1ccc(CNCc2ccc3c(c2)C(=O)NCC3)cc1 ZINC000757941371 639898641 /nfs/dbraw/zinc/89/86/41/639898641.db2.gz UEJOQHLGAVMQPM-UHFFFAOYSA-N 0 3 309.413 2.328 20 10 DECDHN CCN(CC)c1ccc(CNC(=O)N2CCN[C@@H](C)[C@@H]2C)cc1 ZINC000841717976 650550493 /nfs/dbraw/zinc/55/04/93/650550493.db2.gz OYDJGVDDQABYEE-GJZGRUSLSA-N 0 3 318.465 2.425 20 10 DECDHN CCOc1ccc(C[NH2+][C@H](CCO)C2CCOCC2)c([O-])c1 ZINC000763467887 640545579 /nfs/dbraw/zinc/54/55/79/640545579.db2.gz VAHWYWCHUJCSNB-MRXNPFEDSA-N 0 3 309.406 2.058 20 10 DECDHN CC(C)CN(CCN(C)C)C(=O)NCCc1ccc(N)cc1 ZINC000841961185 650614202 /nfs/dbraw/zinc/61/42/02/650614202.db2.gz BARROVJNZDCVHQ-UHFFFAOYSA-N 0 3 306.454 2.041 20 10 DECDHN CCOc1ccc(CN2CCC[C@H]2C(=O)NC2CC2)c(O)c1 ZINC000768521120 641091989 /nfs/dbraw/zinc/09/19/89/641091989.db2.gz UQFZMQCJJZMOOT-HNNXBMFYSA-N 0 3 304.390 2.034 20 10 DECDHN C[C@H]1CCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098199 641940486 /nfs/dbraw/zinc/94/04/86/641940486.db2.gz LZVVCAXNQNZNET-XJKSGUPXSA-N 0 3 304.438 2.159 20 10 DECDHN O=C([C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1)N1CCCC1 ZINC000779016751 642455534 /nfs/dbraw/zinc/45/55/34/642455534.db2.gz GGCDOGDNTZTOKO-ZDUSSCGKSA-N 0 3 306.381 2.366 20 10 DECDHN O=C([C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1)N1CCCC1 ZINC000779016751 642455537 /nfs/dbraw/zinc/45/55/37/642455537.db2.gz GGCDOGDNTZTOKO-ZDUSSCGKSA-N 0 3 306.381 2.366 20 10 DECDHN COC(=O)CC[N@@H+](Cc1cc(F)ccc1[O-])C[C@@H]1CCCO1 ZINC000779021883 642456503 /nfs/dbraw/zinc/45/65/03/642456503.db2.gz ZSQYPODMFMTLGU-AWEZNQCLSA-N 0 3 311.353 2.075 20 10 DECDHN COC(=O)CC[N@H+](Cc1cc(F)ccc1[O-])C[C@@H]1CCCO1 ZINC000779021883 642456507 /nfs/dbraw/zinc/45/65/07/642456507.db2.gz ZSQYPODMFMTLGU-AWEZNQCLSA-N 0 3 311.353 2.075 20 10 DECDHN COc1cc(C)cc(CN2CCCN(C(=O)C3CC3)CC2)c1O ZINC000780473939 642629704 /nfs/dbraw/zinc/62/97/04/642629704.db2.gz UUFSQHPNBNKWPC-UHFFFAOYSA-N 0 3 318.417 2.154 20 10 DECDHN [O-]c1cc2c(cc1C[NH+]1CCC([C@H]3CCOC3)CC1)[C@@H](O)CO2 ZINC000784006307 643082424 /nfs/dbraw/zinc/08/24/24/643082424.db2.gz FOTJQXJJEBMNFI-GUYCJALGSA-N 0 3 319.401 2.067 20 10 DECDHN C[C@H]1C[C@@H]([NH2+]CCN2CCCOCC2)c2c1c(F)ccc2[O-] ZINC000903225743 643288099 /nfs/dbraw/zinc/28/80/99/643288099.db2.gz AGEUKVDEJCFZTO-GXTWGEPZSA-N 0 3 308.397 2.392 20 10 DECDHN COC(=O)[C@@H]1CCN(Cc2cc(Cl)cc(OC)c2O)[C@@H]1C ZINC000787422088 643493637 /nfs/dbraw/zinc/49/36/37/643493637.db2.gz ZHLHVPXCTNIAON-BXKDBHETSA-N 0 3 313.781 2.438 20 10 DECDHN COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])[C@@H]1C ZINC000787422088 643493640 /nfs/dbraw/zinc/49/36/40/643493640.db2.gz ZHLHVPXCTNIAON-BXKDBHETSA-N 0 3 313.781 2.438 20 10 DECDHN COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])[C@@H]1C ZINC000787422088 643493642 /nfs/dbraw/zinc/49/36/42/643493642.db2.gz ZHLHVPXCTNIAON-BXKDBHETSA-N 0 3 313.781 2.438 20 10 DECDHN COc1cc(C)cc(CN2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1O ZINC000790396407 643846813 /nfs/dbraw/zinc/84/68/13/643846813.db2.gz SFDSZVSFCGXKIE-IYOUNJFTSA-N 0 3 321.417 2.478 20 10 DECDHN CC[C@@H]1CN(Cc2cc(C)cc(OC)c2O)C[C@]2(CCOC2)O1 ZINC000794694285 644461516 /nfs/dbraw/zinc/46/15/16/644461516.db2.gz MNUZPACNOBWNAB-QAPCUYQASA-N 0 3 321.417 2.479 20 10 DECDHN COC[C@@H](C)OC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000908459807 644867111 /nfs/dbraw/zinc/86/71/11/644867111.db2.gz LIMHONBWWFWYOW-CZUORRHYSA-N 0 3 323.437 2.116 20 10 DECDHN CC(C)CN(C(=O)Cc1ccc(N)cc1)C1CCN(C)CC1 ZINC000843486318 650982720 /nfs/dbraw/zinc/98/27/20/650982720.db2.gz GIFHFCCRFLWGPJ-UHFFFAOYSA-N 0 3 303.450 2.390 20 10 DECDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC(=O)NCC ZINC000801595336 645421224 /nfs/dbraw/zinc/42/12/24/645421224.db2.gz LTUGTOONEQILGZ-ZDUSSCGKSA-N 0 3 321.421 2.229 20 10 DECDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC(=O)NCC ZINC000801595336 645421228 /nfs/dbraw/zinc/42/12/28/645421228.db2.gz LTUGTOONEQILGZ-ZDUSSCGKSA-N 0 3 321.421 2.229 20 10 DECDHN CC(C)[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCCO1 ZINC000840098926 645960737 /nfs/dbraw/zinc/96/07/37/645960737.db2.gz XSRRIZRIYSCXRY-WBVHZDCISA-N 0 3 307.390 2.065 20 10 DECDHN CC(C)[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCCO1 ZINC000840098926 645960741 /nfs/dbraw/zinc/96/07/41/645960741.db2.gz XSRRIZRIYSCXRY-WBVHZDCISA-N 0 3 307.390 2.065 20 10 DECDHN CCN(CC)c1ccc(CN[C@@H](CCSC)C(=O)NC)cc1 ZINC000808437386 646085028 /nfs/dbraw/zinc/08/50/28/646085028.db2.gz LTWIZOVGHVLFDG-INIZCTEOSA-N 0 3 323.506 2.490 20 10 DECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](O)c2cnn(C)c2)c1[O-] ZINC000808699341 646130278 /nfs/dbraw/zinc/13/02/78/646130278.db2.gz WYNNOPQSLCKLSP-HZMBPMFUSA-N 0 3 309.797 2.472 20 10 DECDHN COc1cccc(O)c1CN1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000809697820 646266280 /nfs/dbraw/zinc/26/62/80/646266280.db2.gz PBAVMUWQNBVHLI-CMPLNLGQSA-N 0 3 319.323 2.394 20 10 DECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000809697820 646266284 /nfs/dbraw/zinc/26/62/84/646266284.db2.gz PBAVMUWQNBVHLI-CMPLNLGQSA-N 0 3 319.323 2.394 20 10 DECDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000809697820 646266286 /nfs/dbraw/zinc/26/62/86/646266286.db2.gz PBAVMUWQNBVHLI-CMPLNLGQSA-N 0 3 319.323 2.394 20 10 DECDHN CCCN(C)CC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000730280586 646887185 /nfs/dbraw/zinc/88/71/85/646887185.db2.gz WBBPRAZMWBDSHC-UHFFFAOYSA-N 0 3 319.449 2.076 20 10 DECDHN Cc1cc(CN2CCC[C@H](N3CCNC3=O)C2)ccc1N(C)C ZINC000815048124 646960406 /nfs/dbraw/zinc/96/04/06/646960406.db2.gz JLKGLKDADWKTGO-INIZCTEOSA-N 0 3 316.449 2.051 20 10 DECDHN CS(=O)(=O)C[C@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816616763 647159712 /nfs/dbraw/zinc/15/97/12/647159712.db2.gz FWGFWSGZDLGOPF-ZDUSSCGKSA-N 0 3 319.426 2.412 20 10 DECDHN CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816616763 647159715 /nfs/dbraw/zinc/15/97/15/647159715.db2.gz FWGFWSGZDLGOPF-ZDUSSCGKSA-N 0 3 319.426 2.412 20 10 DECDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)Cn1cccn1)C1CCCC1 ZINC000731846163 647513214 /nfs/dbraw/zinc/51/32/14/647513214.db2.gz WFKLZDJOLFNZMM-KRWDZBQOSA-N 0 3 315.417 2.394 20 10 DECDHN [O-]c1ccccc1C[N@H+](C[C@H](O)Cn1cccn1)C1CCCC1 ZINC000731846163 647513217 /nfs/dbraw/zinc/51/32/17/647513217.db2.gz WFKLZDJOLFNZMM-KRWDZBQOSA-N 0 3 315.417 2.394 20 10 DECDHN CCN1CCC[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000918542135 648086803 /nfs/dbraw/zinc/08/68/03/648086803.db2.gz OMQSAHPNSJDZHJ-OAHLLOKOSA-N 0 3 304.438 2.036 20 10 DECDHN COc1ccc(O)c([C@H](C)N[C@@H]2CCN(C(C)(C)C)C2=O)c1 ZINC000822818097 648295563 /nfs/dbraw/zinc/29/55/63/648295563.db2.gz JSJBBWQYMQCQEE-SMDDNHRTSA-N 0 3 306.406 2.451 20 10 DECDHN COc1ccc(O)c([C@@H](C)N[C@H]2CCN(C(C)(C)C)C2=O)c1 ZINC000822818096 648295643 /nfs/dbraw/zinc/29/56/43/648295643.db2.gz JSJBBWQYMQCQEE-RISCZKNCSA-N 0 3 306.406 2.451 20 10 DECDHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)CCN(C)C ZINC000840479649 648425138 /nfs/dbraw/zinc/42/51/38/648425138.db2.gz QGFKWAOWSCQPSE-HNNXBMFYSA-N 0 3 320.481 2.195 20 10 DECDHN CCN(CC)c1ccc(CN(C)C(=O)C(N)C(F)(F)F)cc1 ZINC000826019701 648839030 /nfs/dbraw/zinc/83/90/30/648839030.db2.gz KEWYPKHWDYAXRL-ZDUSSCGKSA-N 0 3 317.355 2.381 20 10 DECDHN COc1ccc(O)c([C@@H](C)NCC(=O)N2CCC(C)CC2)c1 ZINC000182342585 648879439 /nfs/dbraw/zinc/87/94/39/648879439.db2.gz LRLRBTCBWZGTRB-CYBMUJFWSA-N 0 3 306.406 2.310 20 10 DECDHN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](N)CC(C)C)C2)cc1 ZINC000831753635 649638614 /nfs/dbraw/zinc/63/86/14/649638614.db2.gz ONOSIBWQOQXRAB-YOEHRIQHSA-N 0 3 319.449 2.011 20 10 DECDHN O=S1(=O)CCC(CC[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000834696871 649832603 /nfs/dbraw/zinc/83/26/03/649832603.db2.gz AGCKNBKMRNULOQ-AWEZNQCLSA-N 0 3 309.431 2.184 20 10 DECDHN CN(C)c1ccc(CN2CCC(Cn3cnnc3)CC2)cc1F ZINC000846057123 651304981 /nfs/dbraw/zinc/30/49/81/651304981.db2.gz SDVKFKCDHJNEEO-UHFFFAOYSA-N 0 3 317.412 2.395 20 10 DECDHN O=C1NCC[C@@H]1NCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000850343570 651904136 /nfs/dbraw/zinc/90/41/36/651904136.db2.gz PDSHUXNZHAMKHQ-SFHVURJKSA-N 0 3 321.424 2.227 20 10 DECDHN O=[S@](CCNCc1ccc2c(c1)CCO2)CC(F)(F)F ZINC000850348270 651905530 /nfs/dbraw/zinc/90/55/30/651905530.db2.gz IMGADHFUGKGFHG-HXUWFJFHSA-N 0 3 307.337 2.022 20 10 DECDHN CCOc1ccc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)c([O-])c1 ZINC000850397428 651920435 /nfs/dbraw/zinc/92/04/35/651920435.db2.gz XNZBPCUMFDYBAL-MRXNPFEDSA-N 0 3 320.433 2.134 20 10 DECDHN Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c([O-])c1O ZINC000856480093 651938918 /nfs/dbraw/zinc/93/89/18/651938918.db2.gz QLWUBGPTBOYSKB-AWEZNQCLSA-N 0 3 318.417 2.258 20 10 DECDHN Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c([O-])c1O ZINC000856480093 651938922 /nfs/dbraw/zinc/93/89/22/651938922.db2.gz QLWUBGPTBOYSKB-AWEZNQCLSA-N 0 3 318.417 2.258 20 10 DECDHN Cc1ccc(O)c(CNCc2cc(Br)nn2C)c1 ZINC000858238864 652286683 /nfs/dbraw/zinc/28/66/83/652286683.db2.gz DPTPUJNYDYXXRF-UHFFFAOYSA-N 0 3 310.195 2.486 20 10 DECDHN CN(Cc1cc(C(C)(C)C)cc(O)c1O)C[C@@H]1COCCO1 ZINC000853558875 652568337 /nfs/dbraw/zinc/56/83/37/652568337.db2.gz KVECFKOBXMUEJP-CQSZACIVSA-N 0 3 309.406 2.243 20 10 DECDHN C[N@@H+]1C[C@H]2CCN(Cc3c([O-])cccc3Br)[C@H]2C1 ZINC000862372764 686285007 /nfs/dbraw/zinc/28/50/07/686285007.db2.gz AFEJPMYHKNKNGR-MFKMUULPSA-N 0 3 311.223 2.291 20 10 DECDHN C[N@H+]1C[C@H]2CCN(Cc3c([O-])cccc3Br)[C@H]2C1 ZINC000862372764 686285010 /nfs/dbraw/zinc/28/50/10/686285010.db2.gz AFEJPMYHKNKNGR-MFKMUULPSA-N 0 3 311.223 2.291 20 10 DECDHN Cc1cc(C(=O)N[C@H]2CCN(C)[C@H]2C)c(C)n1-c1ccccn1 ZINC000928457444 693785733 /nfs/dbraw/zinc/78/57/33/693785733.db2.gz XEXWXBXWFBACIS-HOCLYGCPSA-N 0 3 312.417 2.312 20 10 DECDHN CC(C)[C@H](C(=O)NCc1ccc2cccnc2c1O)N(C)C ZINC000862027063 686225724 /nfs/dbraw/zinc/22/57/24/686225724.db2.gz IHWSESNDWBXGBU-OAHLLOKOSA-N 0 3 301.390 2.143 20 10 DECDHN CN(C)c1cc(F)c(CN(CCO)C2CCOCC2)cc1F ZINC000862335351 686277691 /nfs/dbraw/zinc/27/76/91/686277691.db2.gz FEYWLAGCHWDTSI-UHFFFAOYSA-N 0 3 314.376 2.004 20 10 DECDHN COC(=O)[C@@]1(OC)CCN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000862475812 686308033 /nfs/dbraw/zinc/30/80/33/686308033.db2.gz YCAZKSIKERRUFB-DUMMIQTOSA-N 0 3 318.417 2.030 20 10 DECDHN C[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000929917983 694054436 /nfs/dbraw/zinc/05/44/36/694054436.db2.gz RDISQGAMXJTZQY-SUMWQHHRSA-N 0 3 318.465 2.453 20 10 DECDHN C[C@@H]([NH2+]C[C@@H](n1cncn1)C(F)(F)F)c1ccccc1[O-] ZINC000866434974 687571734 /nfs/dbraw/zinc/57/17/34/687571734.db2.gz TUZYFKMCNWPZAJ-BXKDBHETSA-N 0 3 300.284 2.438 20 10 DECDHN CC(C)(C)N1CC[C@@](F)(C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871205748 688749261 /nfs/dbraw/zinc/74/92/61/688749261.db2.gz XQOCTJDQMUSEAG-KRWDZBQOSA-N 0 3 306.381 2.447 20 10 DECDHN CCCN(CCN(C)C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874379613 689396104 /nfs/dbraw/zinc/39/61/04/689396104.db2.gz QIHPSUILMNVPGN-UHFFFAOYSA-N 0 3 305.382 2.263 20 10 DECDHN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876632136 689882975 /nfs/dbraw/zinc/88/29/75/689882975.db2.gz HOEHKWYUXSETPH-GDBMZVCRSA-N 0 3 320.433 2.064 20 10 DECDHN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876632136 689882979 /nfs/dbraw/zinc/88/29/79/689882979.db2.gz HOEHKWYUXSETPH-GDBMZVCRSA-N 0 3 320.433 2.064 20 10 DECDHN Cc1ccc(C[NH2+]C[C@H](O)COc2cccc(F)c2)c([O-])c1 ZINC000876966134 689984790 /nfs/dbraw/zinc/98/47/90/689984790.db2.gz NTTNNQMCWIPZKV-HNNXBMFYSA-N 0 3 305.349 2.369 20 10 DECDHN CC[C@@]1(O)CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000877691519 690193402 /nfs/dbraw/zinc/19/34/02/690193402.db2.gz PKEISWVSCIBENO-GOSISDBHSA-N 0 3 322.424 2.399 20 10 DECDHN CC1(C)C[C@@H](O)CN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000877752696 690216040 /nfs/dbraw/zinc/21/60/40/690216040.db2.gz ICGHVMIKECNIMG-OAHLLOKOSA-N 0 3 322.424 2.255 20 10 DECDHN CC(=O)c1cc(F)cc(Cn2cc([C@@H](N)C(C)C)nn2)c1O ZINC000880995924 691010714 /nfs/dbraw/zinc/01/07/14/691010714.db2.gz IPBZQKYKZJYBBZ-AWEZNQCLSA-N 0 3 306.341 2.030 20 10 DECDHN CC(C)[C@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)N1CCN(C)CC1 ZINC000886500214 692094596 /nfs/dbraw/zinc/09/45/96/692094596.db2.gz LHMVSWZOSYMLMN-HOCLYGCPSA-N 0 3 323.456 2.454 20 10 DECDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccnnc1 ZINC000926726289 693500736 /nfs/dbraw/zinc/50/07/36/693500736.db2.gz ZSSCXLZRGZVDFS-CQSZACIVSA-N 0 3 312.417 2.289 20 10 DECDHN C[C@@H]1C[NH2+]C[C@@H]1Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001217964984 777752949 /nfs/dbraw/zinc/75/29/49/777752949.db2.gz KKLHZRRHUYFOBS-BMIGLBTASA-N 0 3 323.348 2.154 20 10 DECDHN Cc1ccc(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)c([O-])c1O ZINC001116512140 794962188 /nfs/dbraw/zinc/96/21/88/794962188.db2.gz IHWGCJUAZMTSOJ-ZDUSSCGKSA-N 0 3 306.406 2.401 20 10 DECDHN Cc1ccc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c([O-])c1O ZINC001116512140 794962194 /nfs/dbraw/zinc/96/21/94/794962194.db2.gz IHWGCJUAZMTSOJ-ZDUSSCGKSA-N 0 3 306.406 2.401 20 10 DECDHN COc1ccnc(N2CCN(Cc3c(O)cccc3F)CC2)c1 ZINC001137841352 796145546 /nfs/dbraw/zinc/14/55/46/796145546.db2.gz BHJSREOJCSUZIH-UHFFFAOYSA-N 0 3 317.364 2.257 20 10 DECDHN C[N@@H+]1CC[C@H]2CN(Cc3c([O-])cccc3Br)C[C@H]21 ZINC001140100981 796476674 /nfs/dbraw/zinc/47/66/74/796476674.db2.gz GONBXJUWDNOMQG-GXFFZTMASA-N 0 3 311.223 2.291 20 10 DECDHN C[N@H+]1CC[C@H]2CN(Cc3c([O-])cccc3Br)C[C@H]21 ZINC001140100981 796476677 /nfs/dbraw/zinc/47/66/77/796476677.db2.gz GONBXJUWDNOMQG-GXFFZTMASA-N 0 3 311.223 2.291 20 10 DECDHN COC[C@@H]1CN(Cc2c(C)ccc(C)c2O)Cc2cn(C)nc21 ZINC001140179504 796486799 /nfs/dbraw/zinc/48/67/99/796486799.db2.gz FQLWVWRFYSFHBG-HNNXBMFYSA-N 0 3 315.417 2.488 20 10 DECDHN CCN1CCN(c2ccc(CN3CC(OC(C)C)C3)cc2)CC1 ZINC001140306066 796504619 /nfs/dbraw/zinc/50/46/19/796504619.db2.gz MYTVCKFBTNRYIW-UHFFFAOYSA-N 0 3 317.477 2.438 20 10 DECDHN COC[C@@H]1Cn2nccc2CN(Cc2cc(C)ccc2O)C1 ZINC001140620107 796546554 /nfs/dbraw/zinc/54/65/54/796546554.db2.gz CJVTZCACRNPWKR-AWEZNQCLSA-N 0 3 301.390 2.176 20 10 DECDHN C[C@@]1(O)CCCN(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140661570 796552204 /nfs/dbraw/zinc/55/22/04/796552204.db2.gz JSHCEPQSDVBTFK-QGZVFWFLSA-N 0 3 308.397 2.009 20 10 DECDHN CC[N@H+](Cc1c([O-])cc(OC)cc1OC)C1CCN(C)CC1 ZINC001141028466 796620272 /nfs/dbraw/zinc/62/02/72/796620272.db2.gz PRJWNVOZHCEDQK-UHFFFAOYSA-N 0 3 308.422 2.326 20 10 DECDHN CC[N@@H+](Cc1c([O-])cc(OC)cc1OC)C1CCN(C)CC1 ZINC001141028466 796620277 /nfs/dbraw/zinc/62/02/77/796620277.db2.gz PRJWNVOZHCEDQK-UHFFFAOYSA-N 0 3 308.422 2.326 20 10 DECDHN CN1CCOc2cc(CN3CCC(N4CC(F)C4)CC3)ccc21 ZINC001141143765 796638991 /nfs/dbraw/zinc/63/89/91/796638991.db2.gz JLVFELONVQQKIY-UHFFFAOYSA-N 0 3 319.424 2.133 20 10 DECDHN COC(=O)c1ccc(C2CN(Cc3cc(O)ccc3O)C2)cc1 ZINC001141161889 796642683 /nfs/dbraw/zinc/64/26/83/796642683.db2.gz HGIBUIRAARQVIZ-UHFFFAOYSA-N 0 3 313.353 2.484 20 10 DECDHN COc1ccnc(O[C@@H]2CCN(Cc3cc(O)ccc3O)C2)c1 ZINC001141162985 796643839 /nfs/dbraw/zinc/64/38/39/796643839.db2.gz NKWWZDCZQKUSDP-OAHLLOKOSA-N 0 3 316.357 2.155 20 10 DECDHN CN(C)Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)c(F)c1 ZINC001142143523 796716773 /nfs/dbraw/zinc/71/67/73/796716773.db2.gz UXFWOZURJCCPBB-UHFFFAOYSA-N 0 3 318.348 2.480 20 10 DECDHN Oc1ccc(CNc2cc(Cl)nc3c2CCNC3)cc1O ZINC001158997815 798501807 /nfs/dbraw/zinc/50/18/07/798501807.db2.gz PHUDMJIIIKQBPY-UHFFFAOYSA-N 0 3 305.765 2.404 20 10 DECDHN CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(OC)cc2[O-])C1 ZINC001203616997 800091367 /nfs/dbraw/zinc/09/13/67/800091367.db2.gz FNTMUUNIBILPQB-OAHLLOKOSA-N 0 3 320.433 2.481 20 10 DECDHN CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OC)cc2[O-])C1 ZINC001203616997 800091374 /nfs/dbraw/zinc/09/13/74/800091374.db2.gz FNTMUUNIBILPQB-OAHLLOKOSA-N 0 3 320.433 2.481 20 10 DECDHN COc1ccc(C[NH+]2CCC(Oc3ccncn3)CC2)c([O-])c1 ZINC001203635428 800097507 /nfs/dbraw/zinc/09/75/07/800097507.db2.gz UHSNWXJUNHEQHA-UHFFFAOYSA-N 0 3 315.373 2.234 20 10 DECDHN CC(C)(C)OC(=O)N1C[C@@H]2CN(Cc3ccc(O)cc3O)C[C@@H]21 ZINC001204277867 800199459 /nfs/dbraw/zinc/19/94/59/800199459.db2.gz MYTZZQXKADTXST-JSGCOSHPSA-N 0 3 320.389 2.149 20 10 DECDHN CC(C)(C)OC(=O)N1C[C@@H]2CN(Cc3ccc(O)cc3O)C[C@H]21 ZINC001204277866 800199469 /nfs/dbraw/zinc/19/94/69/800199469.db2.gz MYTZZQXKADTXST-GXTWGEPZSA-N 0 3 320.389 2.149 20 10 DECDHN COc1cc(CN2CC[C@@H](c3ccncc3)C2)cc(O)c1O ZINC001204342559 800206543 /nfs/dbraw/zinc/20/65/43/800206543.db2.gz NFNILKZYSXWFAS-CQSZACIVSA-N 0 3 300.358 2.491 20 10 DECDHN COc1cc([O-])c(CN2CC[C@@](C)([NH3+])C2)cc1Br ZINC001204791366 800257762 /nfs/dbraw/zinc/25/77/62/800257762.db2.gz PUMJYWLNGPDOHK-CYBMUJFWSA-N 0 3 315.211 2.086 20 10 DECDHN CC(C)(C)c1cc([O-])c(CN2C[C@H]([NH3+])C[C@H](O)C2)cc1Cl ZINC001204954919 800277715 /nfs/dbraw/zinc/27/77/15/800277715.db2.gz IKSLSUSSUDISPK-NEPJUHHUSA-N 0 3 312.841 2.237 20 10 DECDHN [NH3+]CC1CCN(Cc2cc(F)cc(Br)c2[O-])CC1 ZINC001205053092 800290252 /nfs/dbraw/zinc/29/02/52/800290252.db2.gz KOKVPXLSWBVZLG-UHFFFAOYSA-N 0 3 317.202 2.465 20 10 DECDHN COC[C@@H]1Cn2nccc2CN(Cc2cccc(C)c2O)C1 ZINC001231592271 801692254 /nfs/dbraw/zinc/69/22/54/801692254.db2.gz GHXFYAQHIHNYSD-AWEZNQCLSA-N 0 3 301.390 2.176 20 10 DECDHN COC[C@@H]1CN(Cc2c(C)cc(C)cc2O)Cc2cn(C)nc21 ZINC001231843658 801736111 /nfs/dbraw/zinc/73/61/11/801736111.db2.gz CXRGKVALNWTJSL-HNNXBMFYSA-N 0 3 315.417 2.488 20 10 DECDHN COC(=O)CCN(Cc1ccc(N(C)C)cc1OC)C1CC1 ZINC001231854559 801739426 /nfs/dbraw/zinc/73/94/26/801739426.db2.gz FMEFZTXFTVDCSE-UHFFFAOYSA-N 0 3 306.406 2.289 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H]3C(N)=O)c2c1 ZINC001234519265 802401311 /nfs/dbraw/zinc/40/13/11/802401311.db2.gz VENWVQHFKAWDCY-HNNXBMFYSA-N 0 3 300.358 2.004 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H]3C(N)=O)c2c1 ZINC001234519265 802401313 /nfs/dbraw/zinc/40/13/13/802401313.db2.gz VENWVQHFKAWDCY-HNNXBMFYSA-N 0 3 300.358 2.004 20 10 DECDHN COc1ccc2ccc(O)c(CN3CCCN(C)C(=O)C3)c2c1 ZINC001234552634 802413196 /nfs/dbraw/zinc/41/31/96/802413196.db2.gz CYMZCZLXZKXMCL-UHFFFAOYSA-N 0 3 314.385 2.218 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](c3nccs3)C1)[C@@H](O)CO2 ZINC001331047564 1149369183 /nfs/dbraw/zinc/36/91/83/1149369183.db2.gz YBIJTSRUTQIBEM-YGRLFVJLSA-N 0 3 318.398 2.264 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](c3nccs3)C1)[C@@H](O)CO2 ZINC001331047564 1149369186 /nfs/dbraw/zinc/36/91/86/1149369186.db2.gz YBIJTSRUTQIBEM-YGRLFVJLSA-N 0 3 318.398 2.264 20 10 DECDHN CC[NH+](CC)CC[C@H](CO)NCc1cc(Cl)cc(F)c1[O-] ZINC001474197918 1060830199 /nfs/dbraw/zinc/83/01/99/1060830199.db2.gz QHSNJMMBNWWUNI-CYBMUJFWSA-N 0 3 318.820 2.367 20 10 DECDHN CCN(CC)CC[C@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001474197918 1060830219 /nfs/dbraw/zinc/83/02/19/1060830219.db2.gz QHSNJMMBNWWUNI-CYBMUJFWSA-N 0 3 318.820 2.367 20 10 DECDHN CC[NH+](CC)CC[C@@H](CO)NCc1cc(Cl)cc(F)c1[O-] ZINC001474197919 1060831399 /nfs/dbraw/zinc/83/13/99/1060831399.db2.gz QHSNJMMBNWWUNI-ZDUSSCGKSA-N 0 3 318.820 2.367 20 10 DECDHN CCN(CC)CC[C@@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001474197919 1060831400 /nfs/dbraw/zinc/83/14/00/1060831400.db2.gz QHSNJMMBNWWUNI-ZDUSSCGKSA-N 0 3 318.820 2.367 20 10 DECDHN COCCN(C/C=C/c1ccc(N(C)C)cc1)CCC(=O)OC ZINC001621182931 1078170813 /nfs/dbraw/zinc/17/08/13/1078170813.db2.gz PSTSRUZPYABNHU-AATRIKPKSA-N 0 3 320.433 2.277 20 10 DECDHN CN1CCN(CC[NH2+]Cc2ccc(Cl)cc2[O-])CC1(C)C ZINC001621281522 1078171964 /nfs/dbraw/zinc/17/19/64/1078171964.db2.gz CWMFOULLRVWOFR-UHFFFAOYSA-N 0 3 311.857 2.161 20 10 DECDHN c1cc(N2CC(NCc3ccc(N4CCCC4)cc3)C2)ncn1 ZINC001651456148 1079812808 /nfs/dbraw/zinc/81/28/08/1079812808.db2.gz SHKZOIBIXRRHPO-UHFFFAOYSA-N 0 3 309.417 2.055 20 10 DECDHN COc1cc(C)c(C[NH+]2CCC(CC(=O)N(C)C)CC2)c([O-])c1 ZINC001664238227 1080881061 /nfs/dbraw/zinc/88/10/61/1080881061.db2.gz HOOHUCUTMMZEBD-UHFFFAOYSA-N 0 3 320.433 2.400 20 10 DECDHN C[N@H+](Cc1cc(O)c(Br)cc1[O-])C1CCOCC1 ZINC001236771494 1138421672 /nfs/dbraw/zinc/42/16/72/1138421672.db2.gz CELICUWGUPHLTC-UHFFFAOYSA-N 0 3 316.195 2.471 20 10 DECDHN C[N@@H+](Cc1cc(O)c(Br)cc1[O-])C1CCOCC1 ZINC001236771494 1138421677 /nfs/dbraw/zinc/42/16/77/1138421677.db2.gz CELICUWGUPHLTC-UHFFFAOYSA-N 0 3 316.195 2.471 20 10 DECDHN CCc1ccc(CN2Cc3cn(C)nc3[C@@H](COC)C2)c(O)c1 ZINC001236787976 1138428059 /nfs/dbraw/zinc/42/80/59/1138428059.db2.gz XLEAMRNBNKIYPP-MRXNPFEDSA-N 0 3 315.417 2.434 20 10 DECDHN COc1cc(C)c(CN2CCN(c3ccccn3)CC2)c(O)c1 ZINC001236818269 1138438251 /nfs/dbraw/zinc/43/82/51/1138438251.db2.gz KPJJZBADFPLWJA-UHFFFAOYSA-N 0 3 313.401 2.426 20 10 DECDHN COc1cc(C)c(C[NH+]2CCC(N3CCCC3=O)CC2)c([O-])c1 ZINC001236817711 1138438670 /nfs/dbraw/zinc/43/86/70/1138438670.db2.gz GELSYYGEMXOLGU-UHFFFAOYSA-N 0 3 318.417 2.296 20 10 DECDHN Oc1cc2ccccc2cc1CN1CCN(c2ncncn2)CC1 ZINC001236836243 1138441861 /nfs/dbraw/zinc/44/18/61/1138441861.db2.gz GJFNXKOVTLTXLA-UHFFFAOYSA-N 0 3 321.384 2.053 20 10 DECDHN CCOc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3C)C2)c([O-])c1 ZINC001237048797 1138489609 /nfs/dbraw/zinc/48/96/09/1138489609.db2.gz WMKPODFCIMGOHD-CJNGLKHVSA-N 0 3 318.417 2.234 20 10 DECDHN CCOc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3C)C2)c([O-])c1 ZINC001237048797 1138489612 /nfs/dbraw/zinc/48/96/12/1138489612.db2.gz WMKPODFCIMGOHD-CJNGLKHVSA-N 0 3 318.417 2.234 20 10 DECDHN COC(=O)C1(O)CCN(Cc2ccc(C(C)C)cc2O)CC1 ZINC001237055450 1138491109 /nfs/dbraw/zinc/49/11/09/1138491109.db2.gz OZYRFHNHTPOVLY-UHFFFAOYSA-N 0 3 307.390 2.016 20 10 DECDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CCC[C@H]1CO ZINC001237053304 1138491208 /nfs/dbraw/zinc/49/12/08/1138491208.db2.gz JJIUNRWLYNANCV-NSHDSACASA-N 0 3 305.296 2.290 20 10 DECDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCC[C@H]1CO ZINC001237053304 1138491218 /nfs/dbraw/zinc/49/12/18/1138491218.db2.gz JJIUNRWLYNANCV-NSHDSACASA-N 0 3 305.296 2.290 20 10 DECDHN Cc1cc([O-])c(C[N@@H+]2C[C@H](O)[C@@H](C)C2)cc1Br ZINC001237677425 1138750412 /nfs/dbraw/zinc/75/04/12/1138750412.db2.gz MYECUJHDFDNXCO-ZANVPECISA-N 0 3 300.196 2.276 20 10 DECDHN Cc1cc([O-])c(C[N@H+]2C[C@H](O)[C@@H](C)C2)cc1Br ZINC001237677425 1138750429 /nfs/dbraw/zinc/75/04/29/1138750429.db2.gz MYECUJHDFDNXCO-ZANVPECISA-N 0 3 300.196 2.276 20 10 DECDHN Cc1cc(F)cc(C[N@H+]2CC[C@@H]3[C@H](CCC(=O)N3C)C2)c1[O-] ZINC001238066183 1138819596 /nfs/dbraw/zinc/81/95/96/1138819596.db2.gz JEGNZMTUZBRAIQ-IUODEOHRSA-N 0 3 306.381 2.282 20 10 DECDHN Cc1cc(F)cc(C[N@@H+]2CC[C@@H]3[C@H](CCC(=O)N3C)C2)c1[O-] ZINC001238066183 1138819597 /nfs/dbraw/zinc/81/95/97/1138819597.db2.gz JEGNZMTUZBRAIQ-IUODEOHRSA-N 0 3 306.381 2.282 20 10 DECDHN CC(C)CNC(=S)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001245274944 1140590495 /nfs/dbraw/zinc/59/04/95/1140590495.db2.gz SALDNHKMESHODW-UHFFFAOYSA-N 0 3 321.490 2.477 20 10 DECDHN CC[C@@H]([NH2+]CCN1CCC(CO)CC1)c1ccc(C)cc1[O-] ZINC001321072423 1141046454 /nfs/dbraw/zinc/04/64/54/1141046454.db2.gz IXIQUTWUTBBLCO-QGZVFWFLSA-N 0 3 306.450 2.446 20 10 DECDHN COc1ccc(C[NH2+]Cc2ccc([S@@](C)=O)cc2)c([O-])c1 ZINC001321499737 1141289333 /nfs/dbraw/zinc/28/93/33/1141289333.db2.gz ADKXSKMVICTESJ-OAQYLSRUSA-N 0 3 305.399 2.428 20 10 DECDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c([O-])c1 ZINC001249201475 1141859084 /nfs/dbraw/zinc/85/90/84/1141859084.db2.gz UHOPPHVANAMIBM-OAHLLOKOSA-N 0 3 311.328 2.339 20 10 DECDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c([O-])c1 ZINC001249201475 1141859087 /nfs/dbraw/zinc/85/90/87/1141859087.db2.gz UHOPPHVANAMIBM-OAHLLOKOSA-N 0 3 311.328 2.339 20 10 DECDHN COc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC001252734276 1142812767 /nfs/dbraw/zinc/81/27/67/1142812767.db2.gz VMDKASZTHIPMNI-KGLIPLIRSA-N 0 3 317.385 2.491 20 10 DECDHN CC[C@H](C)C[C@@H](N)C(=O)NCc1ccc2c(c1)CCCN2C ZINC001341677393 1143661360 /nfs/dbraw/zinc/66/13/60/1143661360.db2.gz NGZWCSFEHBXMLE-XJKSGUPXSA-N 0 3 303.450 2.449 20 10 DECDHN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CN1CCCC1 ZINC001290373909 1146835326 /nfs/dbraw/zinc/83/53/26/1146835326.db2.gz FFAYQJPITQYUBQ-UHFFFAOYSA-N 0 3 301.434 2.341 20 10 DECDHN COCCNC(=O)C1(N[C@H]2C[C@@H](C)c3c2c(O)ccc3C)CC1 ZINC001325575152 1147953482 /nfs/dbraw/zinc/95/34/82/1147953482.db2.gz VZPUNGKAGIDGED-OLZOCXBDSA-N 0 3 318.417 2.134 20 10 DECDHN C[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1cc2c(cc1[O-])CCCC2 ZINC000273550462 130135239 /nfs/dbraw/zinc/13/52/39/130135239.db2.gz FVURMRDBVTUVGF-KZULUSFZSA-N 0 3 315.417 2.389 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCSC3(CCOCC3)C1)OCO2 ZINC000274390335 130230710 /nfs/dbraw/zinc/23/07/10/130230710.db2.gz AWYFSEMWOQHYIV-UHFFFAOYSA-N 0 3 323.414 2.219 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCSC3(CCOCC3)C1)OCO2 ZINC000274390335 130230712 /nfs/dbraw/zinc/23/07/12/130230712.db2.gz AWYFSEMWOQHYIV-UHFFFAOYSA-N 0 3 323.414 2.219 20 10 DECDHN Oc1cc2c(cc1CN1CCSC3(CCOCC3)C1)OCO2 ZINC000274390335 130230713 /nfs/dbraw/zinc/23/07/13/130230713.db2.gz AWYFSEMWOQHYIV-UHFFFAOYSA-N 0 3 323.414 2.219 20 10 DECDHN Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c([O-])c1O ZINC000286913387 131254996 /nfs/dbraw/zinc/25/49/96/131254996.db2.gz CYPJVTHEFPEVLQ-JSGCOSHPSA-N 0 3 304.390 2.105 20 10 DECDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c([O-])c1C ZINC000286924685 131256142 /nfs/dbraw/zinc/25/61/42/131256142.db2.gz FVNLKZURFWSVIA-KGLIPLIRSA-N 0 3 311.447 2.484 20 10 DECDHN CN1CCCc2cc(CNCc3cccc(C(N)=O)c3)ccc21 ZINC000126659294 401703350 /nfs/dbraw/zinc/70/33/50/401703350.db2.gz RRKBVEVMLRQDBC-UHFFFAOYSA-N 0 3 309.413 2.458 20 10 DECDHN CC[C@@H]([NH2+]C[C@H](C)CN1CCN(C)CC1)c1ccccc1[O-] ZINC000155656027 402264248 /nfs/dbraw/zinc/26/42/48/402264248.db2.gz OEBQPFYXCKJVEM-DOTOQJQBSA-N 0 3 305.466 2.316 20 10 DECDHN COCCN(CCOC)Cc1cc(Cl)cc(OC)c1O ZINC000184672157 402290118 /nfs/dbraw/zinc/29/01/18/402290118.db2.gz NCWYTXKXWZDJCR-UHFFFAOYSA-N 0 3 303.786 2.149 20 10 DECDHN C[C@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])CN1CCN(C)CC1 ZINC000185344740 402345679 /nfs/dbraw/zinc/34/56/79/402345679.db2.gz GTAOTNRQNOZVBM-ZIAGYGMSSA-N 0 3 309.429 2.065 20 10 DECDHN Cc1cc(C(=O)N2CCN[C@@H](C)[C@@H]2C)c(C)n1-c1ccccn1 ZINC000262727596 402730207 /nfs/dbraw/zinc/73/02/07/402730207.db2.gz ATMOBQMQQBWXDD-KBPBESRZSA-N 0 3 312.417 2.312 20 10 DECDHN C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000193158245 402767662 /nfs/dbraw/zinc/76/76/62/402767662.db2.gz UCIAJSUSIFLMDU-CHWSQXEVSA-N 0 3 318.417 2.481 20 10 DECDHN C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000193158245 402767664 /nfs/dbraw/zinc/76/76/64/402767664.db2.gz UCIAJSUSIFLMDU-CHWSQXEVSA-N 0 3 318.417 2.481 20 10 DECDHN CCOc1cccc(C[NH2+]C2CCC(NC(C)=O)CC2)c1[O-] ZINC000263707645 402793902 /nfs/dbraw/zinc/79/39/02/402793902.db2.gz SRRAGQMFWSLKKI-UHFFFAOYSA-N 0 3 306.406 2.328 20 10 DECDHN C[N@H+]1C[C@H]2CN(Cc3cc(Br)ccc3[O-])C[C@H]2C1 ZINC000194534861 402802109 /nfs/dbraw/zinc/80/21/09/402802109.db2.gz OCMMANOHIDLHEL-TXEJJXNPSA-N 0 3 311.223 2.148 20 10 DECDHN C[N@@H+]1C[C@H]2CN(Cc3cc(Br)ccc3[O-])C[C@H]2C1 ZINC000194534861 402802112 /nfs/dbraw/zinc/80/21/12/402802112.db2.gz OCMMANOHIDLHEL-TXEJJXNPSA-N 0 3 311.223 2.148 20 10 DECDHN COc1c([O-])c(C[NH2+][C@H]2CCC[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000278472487 402866323 /nfs/dbraw/zinc/86/63/23/402866323.db2.gz HOOOCSJVROVMDA-QWHCGFSZSA-N 0 3 323.393 2.271 20 10 DECDHN COc1c([O-])c(CN[C@H]2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000278472487 402866325 /nfs/dbraw/zinc/86/63/25/402866325.db2.gz HOOOCSJVROVMDA-QWHCGFSZSA-N 0 3 323.393 2.271 20 10 DECDHN CCCOc1ccc(C[NH2+][C@@H](COC)[C@H]2CCCO2)c([O-])c1 ZINC000278733442 402870074 /nfs/dbraw/zinc/87/00/74/402870074.db2.gz UPQFXZZIXRMXIB-DOTOQJQBSA-N 0 3 309.406 2.465 20 10 DECDHN CC[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(C)cc1[O-] ZINC000280196265 402974258 /nfs/dbraw/zinc/97/42/58/402974258.db2.gz SOSRQGCCINKYIA-NSHDSACASA-N 0 3 304.312 2.420 20 10 DECDHN CC[C@@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1ccc(C)cc1[O-] ZINC000280262031 402980938 /nfs/dbraw/zinc/98/09/38/402980938.db2.gz XGFZFGLSNHSGGW-HZPDHXFCSA-N 0 3 319.449 2.081 20 10 DECDHN CN(C)c1ccc(CN[C@@H]2CCC(=O)NC23CCC3)cc1F ZINC000282853669 403162083 /nfs/dbraw/zinc/16/20/83/403162083.db2.gz PRYBRBSYKNTWQT-OAHLLOKOSA-N 0 3 305.397 2.183 20 10 DECDHN C[C@H](NCc1ccc(N2CCCCC2)cc1)C(=O)NCCF ZINC000282644314 403158150 /nfs/dbraw/zinc/15/81/50/403158150.db2.gz KOXFPWPHAYTMRA-AWEZNQCLSA-N 0 3 307.413 2.241 20 10 DECDHN COC(=O)[C@H]1CC12CC[NH+](Cc1cccc(OC)c1[O-])CC2 ZINC000271178261 403274050 /nfs/dbraw/zinc/27/40/50/403274050.db2.gz KGCWHOBSVQLCMS-CYBMUJFWSA-N 0 3 305.374 2.176 20 10 DECDHN Cc1cc(C)c([C@H](C)[NH2+]CCCN2CCN(C)CC2)c([O-])c1 ZINC000293710481 403544448 /nfs/dbraw/zinc/54/44/48/403544448.db2.gz LXAOKCUYPRIQGK-INIZCTEOSA-N 0 3 305.466 2.297 20 10 DECDHN CCOc1ccc(O)c(CN2CC[C@H](OC(=O)N(C)C)C2)c1 ZINC000295091362 403756760 /nfs/dbraw/zinc/75/67/60/403756760.db2.gz JILHNQKJGGONOS-AWEZNQCLSA-N 0 3 308.378 2.063 20 10 DECDHN C[C@H]1C[C@@H](N2CCOCC2)CN1Cc1ccc(N(C)C)c(F)c1 ZINC000289655916 403991959 /nfs/dbraw/zinc/99/19/59/403991959.db2.gz MZTKCENHBJVDSI-GOEBONIOSA-N 0 3 321.440 2.187 20 10 DECDHN CNC(=O)OC[C@H]1CCCCN1Cc1cccc(OC)c1O ZINC000290226139 404087959 /nfs/dbraw/zinc/08/79/59/404087959.db2.gz SHXGIALDFQYWJK-CYBMUJFWSA-N 0 3 308.378 2.111 20 10 DECDHN COc1ccc(N2CCN(C[C@@H](O)C(C)(C)C)CC2)cc1F ZINC000290461795 404178396 /nfs/dbraw/zinc/17/83/96/404178396.db2.gz WMQZHBUEMBDDJM-MRXNPFEDSA-N 0 3 310.413 2.363 20 10 DECDHN O=C(c1cccc(O)c1[O-])N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000193014362 225148126 /nfs/dbraw/zinc/14/81/26/225148126.db2.gz QYBCGLJRHDEURQ-ZDUSSCGKSA-N 0 3 304.390 2.188 20 10 DECDHN CCOc1ccc(O)c(CN[C@H]2COc3ccccc3[C@H]2O)c1 ZINC000377400770 227190633 /nfs/dbraw/zinc/19/06/33/227190633.db2.gz GYQZLTHDNFMGFX-MAUKXSAKSA-N 0 3 315.369 2.375 20 10 DECDHN CCOc1ccc([O-])c(C[NH2+][C@H]2COc3ccccc3[C@H]2O)c1 ZINC000377400770 227190636 /nfs/dbraw/zinc/19/06/36/227190636.db2.gz GYQZLTHDNFMGFX-MAUKXSAKSA-N 0 3 315.369 2.375 20 10 DECDHN CC1(C)CN(C(=O)c2cn[n-]c2[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000662497516 425665842 /nfs/dbraw/zinc/66/58/42/425665842.db2.gz KRPWQLRYJWPRQT-GFCCVEGCSA-N 0 3 310.401 2.425 20 10 DECDHN CN(C)c1ccc(CN[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000182232431 522212663 /nfs/dbraw/zinc/21/26/63/522212663.db2.gz YQYNKDYTNPMSST-HOTGVXAUSA-N 0 3 310.463 2.198 20 10 DECDHN CN1CCN(C(=O)Cc2ccc(N)cc2)C2(CCCCC2)C1 ZINC000237193143 523876096 /nfs/dbraw/zinc/87/60/96/523876096.db2.gz ZONZGMJCVOWDMV-UHFFFAOYSA-N 0 3 301.434 2.288 20 10 DECDHN C[C@@H](C(=O)NCCc1ccc(O)c(O)c1)N1CCCCCC1 ZINC000156603709 524191898 /nfs/dbraw/zinc/19/18/98/524191898.db2.gz CGCNCZWJDCNTKY-ZDUSSCGKSA-N 0 3 306.406 2.021 20 10 DECDHN COc1ccc(O)c(CN2CCC(N3CCCCC3=O)CC2)c1 ZINC000180522295 524737787 /nfs/dbraw/zinc/73/77/87/524737787.db2.gz VFYOBRWUBGWBIO-UHFFFAOYSA-N 0 3 318.417 2.378 20 10 DECDHN COc1cccc(CN2CCC(CC(=O)N(C)C)CC2)c1O ZINC000180334777 525931767 /nfs/dbraw/zinc/93/17/67/525931767.db2.gz FWNKSBJWPIVIIA-UHFFFAOYSA-N 0 3 306.406 2.091 20 10 DECDHN COc1cccc(C[NH+]2CCC(CC(=O)N(C)C)CC2)c1[O-] ZINC000180334777 525931774 /nfs/dbraw/zinc/93/17/74/525931774.db2.gz FWNKSBJWPIVIIA-UHFFFAOYSA-N 0 3 306.406 2.091 20 10 DECDHN COc1cccc(C[NH2+][C@H](CO)Cc2cccc(C)c2)c1[O-] ZINC000189010096 526036323 /nfs/dbraw/zinc/03/63/23/526036323.db2.gz RITOJCQSGZZEDK-INIZCTEOSA-N 0 3 301.386 2.402 20 10 DECDHN Cc1ccc(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)c([O-])c1O ZINC000182261995 526170330 /nfs/dbraw/zinc/17/03/30/526170330.db2.gz JEAJUJUQJLCMRI-CYBMUJFWSA-N 0 3 306.406 2.401 20 10 DECDHN [O-]c1ccc(F)cc1C[NH+]1CCC(CN2CCOCC2)CC1 ZINC000179931960 526349600 /nfs/dbraw/zinc/34/96/00/526349600.db2.gz RXQCAPPKNZIRRX-UHFFFAOYSA-N 0 3 308.397 2.076 20 10 DECDHN NC(=O)C1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000158582606 526858199 /nfs/dbraw/zinc/85/81/99/526858199.db2.gz RWWDVXVCFLVGTJ-UHFFFAOYSA-N 0 3 301.434 2.374 20 10 DECDHN O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000179934461 527596478 /nfs/dbraw/zinc/59/64/78/527596478.db2.gz PPUFRNDHCIFKAS-ZDUSSCGKSA-N 0 3 306.381 2.270 20 10 DECDHN O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000179934461 527596485 /nfs/dbraw/zinc/59/64/85/527596485.db2.gz PPUFRNDHCIFKAS-ZDUSSCGKSA-N 0 3 306.381 2.270 20 10 DECDHN CCCOc1ccc(C[NH2+][C@@H]2CCCN(CCCO)C2)c([O-])c1 ZINC000295110310 528687628 /nfs/dbraw/zinc/68/76/28/528687628.db2.gz LOELQEXFGUWKTI-MRXNPFEDSA-N 0 3 322.449 2.117 20 10 DECDHN CC[C@@](C)(OC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248772 623794339 /nfs/dbraw/zinc/79/43/39/623794339.db2.gz NVGYMOOFHBYYSB-FUHWJXTLSA-N 0 3 321.465 2.287 20 10 DECDHN COCC(C)(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252713 623798406 /nfs/dbraw/zinc/79/84/06/623798406.db2.gz MVPRJMQNHJPHKI-MRXNPFEDSA-N 0 3 321.465 2.144 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)/C=C/C2CC2)N(C)C)cc1 ZINC000891254532 623800170 /nfs/dbraw/zinc/80/01/70/623800170.db2.gz ZGCNEFYRNVUNRR-CRVDFBCUSA-N 0 3 301.434 2.438 20 10 DECDHN COc1ccc(CNCc2cccc3c2OCO3)c(O)c1OC ZINC000892653966 625229836 /nfs/dbraw/zinc/22/98/36/625229836.db2.gz GYKRGODHRSUKHW-UHFFFAOYSA-N 0 3 317.341 2.428 20 10 DECDHN CN(C)c1ccc(CN[C@H]2CCC3(C[C@@H]2F)OCCO3)cc1 ZINC000892475674 625820903 /nfs/dbraw/zinc/82/09/03/625820903.db2.gz KWRJBKNUHUGFEC-HOTGVXAUSA-N 0 3 308.397 2.476 20 10 DECDHN CCOC(=O)C1CCN(Cc2cc(C)cc(OC)c2O)CC1 ZINC000125321298 633525567 /nfs/dbraw/zinc/52/55/67/633525567.db2.gz QAEUQIRLXGSTMZ-UHFFFAOYSA-N 0 3 307.390 2.484 20 10 DECDHN COc1cc(C)cc(CN2CCN(C[C@@H]3CCCO3)CC2)c1O ZINC000893902680 636058791 /nfs/dbraw/zinc/05/87/91/636058791.db2.gz LLWVIPOFWMQCLV-INIZCTEOSA-N 0 3 320.433 2.006 20 10 DECDHN CC[C@@H](C[NH2+]Cc1cc(Cl)cc(OC)c1[O-])C(=O)OC ZINC000895127968 637624744 /nfs/dbraw/zinc/62/47/44/637624744.db2.gz OBFNKJWXJJTBRM-VIFPVBQESA-N 0 3 301.770 2.343 20 10 DECDHN COCCN(C)CCC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840877181 650370273 /nfs/dbraw/zinc/37/02/73/650370273.db2.gz YJCJKXJLGYPIET-UHFFFAOYSA-N 0 3 300.830 2.412 20 10 DECDHN Cc1cccc([O-])c1C[NH2+]CCN1C[C@H]2CCCCN2C1=O ZINC000895347009 637951687 /nfs/dbraw/zinc/95/16/87/637951687.db2.gz YFRCWKUEEKPUMW-CQSZACIVSA-N 0 3 303.406 2.080 20 10 DECDHN Cc1cccc([O-])c1C[NH2+]CCN1C[C@@H]2CCCCN2C1=O ZINC000895347007 637952401 /nfs/dbraw/zinc/95/24/01/637952401.db2.gz YFRCWKUEEKPUMW-AWEZNQCLSA-N 0 3 303.406 2.080 20 10 DECDHN COC(=O)c1cc(C[NH2+]Cc2cc(F)ccc2[O-])n(C)c1C ZINC000895647236 638124408 /nfs/dbraw/zinc/12/44/08/638124408.db2.gz SXZJKOPWHQTPHB-UHFFFAOYSA-N 0 3 306.337 2.255 20 10 DECDHN Cc1cc(Cl)cc(C[NH2+]CCS(=O)(=O)C2CC2)c1[O-] ZINC000840966067 650396542 /nfs/dbraw/zinc/39/65/42/650396542.db2.gz OXJDJRBUWDSXRH-UHFFFAOYSA-N 0 3 303.811 2.021 20 10 DECDHN Cc1cc(Cl)cc(CNCCS(=O)(=O)C2CC2)c1O ZINC000840966067 650396544 /nfs/dbraw/zinc/39/65/44/650396544.db2.gz OXJDJRBUWDSXRH-UHFFFAOYSA-N 0 3 303.811 2.021 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@H](CO)C[C@@H]2CCCO2)c1[O-] ZINC000895750248 638178972 /nfs/dbraw/zinc/17/89/72/638178972.db2.gz YIYMKCQTKDTFGR-STQMWFEESA-N 0 3 315.797 2.074 20 10 DECDHN [NH3+]CC[C@@H](NCc1cc(Br)ccc1[O-])C(F)F ZINC000841075189 650423206 /nfs/dbraw/zinc/42/32/06/650423206.db2.gz XTYNCNYTWREVTQ-SECBINFHSA-N 0 3 309.154 2.227 20 10 DECDHN C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COCC2CC2)c2c1c(F)ccc2[O-] ZINC000756512125 639668104 /nfs/dbraw/zinc/66/81/04/639668104.db2.gz VOYREGXDGJYLCO-SCDSUCTJSA-N 0 3 309.381 2.457 20 10 DECDHN COCCN1CC[C@H]([NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)C1 ZINC000756552174 639672784 /nfs/dbraw/zinc/67/27/84/639672784.db2.gz LTUXXXQZUCCJOE-SGMGOOAPSA-N 0 3 308.397 2.390 20 10 DECDHN C[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(C3CC3)C2)c2c1c(F)ccc2[O-] ZINC000756735979 639691110 /nfs/dbraw/zinc/69/11/10/639691110.db2.gz JWNJEBIVCANPNP-NRUUGDAUSA-N 0 3 304.365 2.433 20 10 DECDHN C[C@H](C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)S(C)(=O)=O ZINC000756768954 639693002 /nfs/dbraw/zinc/69/30/02/639693002.db2.gz BQFXEAQLXVWFTK-FXPVBKGRSA-N 0 3 301.383 2.102 20 10 DECDHN CCN(CC)c1ccc(CNC(=O)N2CCN[C@H](C)[C@H]2C)cc1 ZINC000841717978 650550524 /nfs/dbraw/zinc/55/05/24/650550524.db2.gz OYDJGVDDQABYEE-HUUCEWRRSA-N 0 3 318.465 2.425 20 10 DECDHN CN1CCC[C@H](NC(=O)NCCCSc2nccs2)C1 ZINC000759566457 640084716 /nfs/dbraw/zinc/08/47/16/640084716.db2.gz CNWACVMQHQRSGL-NSHDSACASA-N 0 3 314.480 2.019 20 10 DECDHN C[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)[C@@H](C)CN1 ZINC000841709372 650546877 /nfs/dbraw/zinc/54/68/77/650546877.db2.gz DXPCPPKHHYMVSN-GJZGRUSLSA-N 0 3 316.449 2.179 20 10 DECDHN COc1ccc(O)c([C@H](C)NC(=O)CN2[C@H](C)CC[C@H]2C)c1 ZINC000761973507 640368188 /nfs/dbraw/zinc/36/81/88/640368188.db2.gz QWOXMEWJYGQOMX-UPJWGTAASA-N 0 3 306.406 2.451 20 10 DECDHN C[C@H](NC(=O)N1CCN[C@H](C)[C@H]1C)c1ccc(N(C)C)cc1 ZINC000841881723 650591304 /nfs/dbraw/zinc/59/13/04/650591304.db2.gz UKSMWZFJJXTYGT-HZSPNIEDSA-N 0 3 304.438 2.205 20 10 DECDHN Cn1cc([C@]2(C[NH2+]Cc3cc(F)ccc3[O-])CCCO2)cn1 ZINC000898056868 641011547 /nfs/dbraw/zinc/01/15/47/641011547.db2.gz PIYGBIMUIBDYFU-MRXNPFEDSA-N 0 3 305.353 2.060 20 10 DECDHN CC[C@H]([NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1)c1ccccc1[O-] ZINC000898152589 641038482 /nfs/dbraw/zinc/03/84/82/641038482.db2.gz LSDCBIGTYTVCKG-JSGCOSHPSA-N 0 3 314.389 2.207 20 10 DECDHN CC[N@H+](CCc1nccs1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768463705 641085145 /nfs/dbraw/zinc/08/51/45/641085145.db2.gz VTLGGEDVGPWLNH-AWEZNQCLSA-N 0 3 320.414 2.339 20 10 DECDHN CC[N@@H+](CCc1nccs1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768463705 641085148 /nfs/dbraw/zinc/08/51/48/641085148.db2.gz VTLGGEDVGPWLNH-AWEZNQCLSA-N 0 3 320.414 2.339 20 10 DECDHN CCOc1ccc(CN2CCCN(C(=O)CC)CC2)c(O)c1 ZINC000768926125 641144241 /nfs/dbraw/zinc/14/42/41/641144241.db2.gz MZPZYHARRPOCDI-UHFFFAOYSA-N 0 3 306.406 2.235 20 10 DECDHN CCOc1ccc(C[NH+]2CCC(N(C)C(C)=O)CC2)c([O-])c1 ZINC000769138838 641183076 /nfs/dbraw/zinc/18/30/76/641183076.db2.gz AUKFOKYMWFRBDG-UHFFFAOYSA-N 0 3 306.406 2.234 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c([O-])c1 ZINC000770282003 641353771 /nfs/dbraw/zinc/35/37/71/641353771.db2.gz PQNMXPKRSCJUEA-GDBMZVCRSA-N 0 3 309.431 2.497 20 10 DECDHN CCOc1ccc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c([O-])c1 ZINC000770282003 641353776 /nfs/dbraw/zinc/35/37/76/641353776.db2.gz PQNMXPKRSCJUEA-GDBMZVCRSA-N 0 3 309.431 2.497 20 10 DECDHN COCCCCN(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000842172955 650666269 /nfs/dbraw/zinc/66/62/69/650666269.db2.gz HPOKEQOZDJAMAG-UHFFFAOYSA-N 0 3 321.465 2.069 20 10 DECDHN Cc1n[nH]c(C)c1NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775836676 642103924 /nfs/dbraw/zinc/10/39/24/642103924.db2.gz PDHAGSLOVDKNMZ-NSHDSACASA-N 0 3 315.421 2.382 20 10 DECDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cc1c[nH]cn1 ZINC000900293077 642309729 /nfs/dbraw/zinc/30/97/29/642309729.db2.gz UDJJOGCZMGKQGA-UHFFFAOYSA-N 0 3 300.406 2.455 20 10 DECDHN CC(=O)c1cc(F)cc(CN2CCC[C@]3(CC[NH2+]C3)C2)c1[O-] ZINC000842475851 650748153 /nfs/dbraw/zinc/74/81/53/650748153.db2.gz ZMBSSWDGCBAFQD-QGZVFWFLSA-N 0 3 306.381 2.309 20 10 DECDHN COc1cc(Br)cc(C[NH2+][C@H](C)C[C@H](C)O)c1[O-] ZINC000782980746 642949670 /nfs/dbraw/zinc/94/96/70/642949670.db2.gz WWOJKKFBUBTOGR-BDAKNGLRSA-N 0 3 318.211 2.412 20 10 DECDHN CCN(CC)c1ccc(CNC[C@H](O)C2(O)CCC2)cc1F ZINC000905106515 643791037 /nfs/dbraw/zinc/79/10/37/643791037.db2.gz QLJBYMHLZASILL-INIZCTEOSA-N 0 3 310.413 2.037 20 10 DECDHN [O-]c1ccc(Br)cc1CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000843056344 650879477 /nfs/dbraw/zinc/87/94/77/650879477.db2.gz YLPSWGFBDRUKPJ-CYBMUJFWSA-N 0 3 311.223 2.481 20 10 DECDHN COC[C@H](C)OC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000908459805 644867224 /nfs/dbraw/zinc/86/72/24/644867224.db2.gz LIMHONBWWFWYOW-BBRMVZONSA-N 0 3 323.437 2.116 20 10 DECDHN C[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1cc(F)ccc1[O-] ZINC000806173045 645805826 /nfs/dbraw/zinc/80/58/26/645805826.db2.gz DPGGUTTUMZIHBI-GHMZBOCLSA-N 0 3 301.383 2.007 20 10 DECDHN Cc1cc(Cl)cc(C[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)c1[O-] ZINC000809704016 646265353 /nfs/dbraw/zinc/26/53/53/646265353.db2.gz TWCQEOMNZBLETF-JTQLQIEISA-N 0 3 317.838 2.409 20 10 DECDHN Cc1cc(Cl)cc(C[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)c1[O-] ZINC000809704019 646265459 /nfs/dbraw/zinc/26/54/59/646265459.db2.gz TWCQEOMNZBLETF-SNVBAGLBSA-N 0 3 317.838 2.409 20 10 DECDHN CCN1CCN(Cc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)C1 ZINC000809698444 646266050 /nfs/dbraw/zinc/26/60/50/646266050.db2.gz YVLCITIYMKTBHM-HNNXBMFYSA-N 0 3 321.440 2.188 20 10 DECDHN COc1cccc(CN[C@@H](CC(N)=O)c2ccccc2)c1O ZINC000815155563 646980587 /nfs/dbraw/zinc/98/05/87/646980587.db2.gz SDQFEYKLGDYYBY-AWEZNQCLSA-N 0 3 300.358 2.107 20 10 DECDHN COc1cccc(O)c1CN1CCC(OC(=O)N(C)C)CC1 ZINC000816655578 647163373 /nfs/dbraw/zinc/16/33/73/647163373.db2.gz JYGRIJMOGLLNIO-UHFFFAOYSA-N 0 3 308.378 2.063 20 10 DECDHN COc1cccc([O-])c1C[NH+]1CCC(OC(=O)N(C)C)CC1 ZINC000816655578 647163376 /nfs/dbraw/zinc/16/33/76/647163376.db2.gz JYGRIJMOGLLNIO-UHFFFAOYSA-N 0 3 308.378 2.063 20 10 DECDHN C[C@@H]1CCN(CC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000816938993 647201268 /nfs/dbraw/zinc/20/12/68/647201268.db2.gz PVIMVIMNYKMBNN-CYBMUJFWSA-N 0 3 302.418 2.229 20 10 DECDHN COc1ccc(N2CC[C@@H](CNCc3cc(C)n(C)n3)C2)cc1 ZINC000818220287 647434922 /nfs/dbraw/zinc/43/49/22/647434922.db2.gz GZPTTXXLBMQCGC-HNNXBMFYSA-N 0 3 314.433 2.353 20 10 DECDHN CN(C)c1ccc(CN(CCN2CCOC2=O)C2CC2)cc1 ZINC000731103551 647447453 /nfs/dbraw/zinc/44/74/53/647447453.db2.gz BBGKICDTKSCKGD-UHFFFAOYSA-N 0 3 303.406 2.169 20 10 DECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2=O)c1[O-] ZINC000818361669 647458133 /nfs/dbraw/zinc/45/81/33/647458133.db2.gz MNEGLNLFRBZGAJ-BXKDBHETSA-N 0 3 310.781 2.152 20 10 DECDHN Cn1cncc1CNCc1ccc(N2CCSCC2)cc1 ZINC000237936923 648446894 /nfs/dbraw/zinc/44/68/94/648446894.db2.gz IXDPONDHOZUSHB-UHFFFAOYSA-N 0 3 302.447 2.263 20 10 DECDHN Cc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCN3CCO[C@H]2C3)c1[O-] ZINC000824501998 648598410 /nfs/dbraw/zinc/59/84/10/648598410.db2.gz WLXXARGHHPXUEM-GJZGRUSLSA-N 0 3 310.825 2.259 20 10 DECDHN Cc1cc(Cl)cc(C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)c1[O-] ZINC000824501998 648598412 /nfs/dbraw/zinc/59/84/12/648598412.db2.gz WLXXARGHHPXUEM-GJZGRUSLSA-N 0 3 310.825 2.259 20 10 DECDHN Cc1cc([O-])c(C[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)cc1Cl ZINC000825247191 648730737 /nfs/dbraw/zinc/73/07/37/648730737.db2.gz OEOFDJFTNWPRED-UONOGXRCSA-N 0 3 310.825 2.307 20 10 DECDHN Cn1cc(N2CCC[C@H]([NH2+][C@H]3CCc4cccc([O-])c43)C2)cn1 ZINC000834602025 649822283 /nfs/dbraw/zinc/82/22/83/649822283.db2.gz HMWDMOMTYMCKCB-HOCLYGCPSA-N 0 3 312.417 2.372 20 10 DECDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC[C@@H](C)C1 ZINC000847400174 651394046 /nfs/dbraw/zinc/39/40/46/651394046.db2.gz ZVGCFQVLGZUQPG-OAHLLOKOSA-N 0 3 303.450 2.443 20 10 DECDHN CCc1cccc(CN2CCN(CCOC(C)C)CC2)c1O ZINC000848887634 651547042 /nfs/dbraw/zinc/54/70/42/651547042.db2.gz ARDKQXJEBGJOJH-UHFFFAOYSA-N 0 3 306.450 2.497 20 10 DECDHN COc1ccc(O)c(CNCc2cc(C(F)(F)F)nn2C)c1 ZINC000850136736 651838842 /nfs/dbraw/zinc/83/88/42/651838842.db2.gz BKHCXORYDKDRPY-UHFFFAOYSA-N 0 3 315.295 2.443 20 10 DECDHN CCOc1ccc(C[NH2+][C@H](CO)[C@@H]2CCC[C@@H](OC)C2)c([O-])c1 ZINC000850353958 651908789 /nfs/dbraw/zinc/90/87/89/651908789.db2.gz QYOZQTABVXTUHU-FRFSOERESA-N 0 3 323.433 2.447 20 10 DECDHN c1cc2n(n1)CCC[C@@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000850427329 651926857 /nfs/dbraw/zinc/92/68/57/651926857.db2.gz RVNWNPDCWLFWMJ-KRWDZBQOSA-N 0 3 312.417 2.344 20 10 DECDHN C[C@@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1cc(F)ccc1[O-] ZINC000850560110 651952389 /nfs/dbraw/zinc/95/23/89/651952389.db2.gz BRZGBOPYKREXLG-TZMCWYRMSA-N 0 3 321.396 2.472 20 10 DECDHN CO[C@@]1(C)C[C@H]1N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000850571194 651955364 /nfs/dbraw/zinc/95/53/64/651955364.db2.gz OMPGVDNMZBQHFT-VUCTXSBTSA-N 0 3 308.397 2.490 20 10 DECDHN CCN1C[C@H](NCc2ccc(N3CCCCC3)cc2)CC1=O ZINC000391576236 685446303 /nfs/dbraw/zinc/44/63/03/685446303.db2.gz YPCAOCJZABGSTM-MRXNPFEDSA-N 0 3 301.434 2.387 20 10 DECDHN COc1ccc(CN[C@H]2CCCc3c2cnn3CCO)cc1C ZINC000391552779 685446539 /nfs/dbraw/zinc/44/65/39/685446539.db2.gz UNQZSUNDQAHNIV-INIZCTEOSA-N 0 3 315.417 2.360 20 10 DECDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCCc3c1cnn3CCO)CC2 ZINC000391863005 685447310 /nfs/dbraw/zinc/44/73/10/685447310.db2.gz UBNOWCGQJLKAEG-HUUCEWRRSA-N 0 3 313.401 2.236 20 10 DECDHN COC(=O)[C@@H]1CCC[C@@H]1NCc1cc(F)c(N(C)C)cc1F ZINC000862383812 686287063 /nfs/dbraw/zinc/28/70/63/686287063.db2.gz DGNBPJRKTNWMQM-RISCZKNCSA-N 0 3 312.360 2.462 20 10 DECDHN CCN(CC)c1ccc(CN(C)[C@@]2(CO)CCOC2)cc1F ZINC000862426414 686299412 /nfs/dbraw/zinc/29/94/12/686299412.db2.gz DPFWAHYRWKERES-QGZVFWFLSA-N 0 3 310.413 2.255 20 10 DECDHN COC(=O)Cc1ccc(C[NH2+]Cc2c([O-])cccc2OC)cc1 ZINC000862446938 686303827 /nfs/dbraw/zinc/30/38/27/686303827.db2.gz KIIMYQLCLVGKLA-UHFFFAOYSA-N 0 3 315.369 2.406 20 10 DECDHN COc1cc(Cl)cc(CN[C@@H]2CCN(C3CCC3)C2=O)c1O ZINC000862551048 686321260 /nfs/dbraw/zinc/32/12/60/686321260.db2.gz JZTHZLOZQUQKGY-CYBMUJFWSA-N 0 3 324.808 2.297 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCN(C3CCC3)C2=O)c1[O-] ZINC000862551048 686321268 /nfs/dbraw/zinc/32/12/68/686321268.db2.gz JZTHZLOZQUQKGY-CYBMUJFWSA-N 0 3 324.808 2.297 20 10 DECDHN Cc1cc(O)c(CNC[C@@H](n2cncn2)C(F)(F)F)cc1C ZINC000865682067 687300354 /nfs/dbraw/zinc/30/03/54/687300354.db2.gz GCLSTXMWXGYLMC-CYBMUJFWSA-N 0 3 314.311 2.494 20 10 DECDHN CCO[C@H]1C[C@](N)(C(=O)N[C@H](C)c2ccccc2O)C1(C)C ZINC000870988724 688704798 /nfs/dbraw/zinc/70/47/98/688704798.db2.gz XUJGFGZDDDFKJU-WHCBVINPSA-N 0 3 306.406 2.102 20 10 DECDHN CC(C)(C)N1CC[C@@H]1CNC(=O)N1Cc2cccc(O)c2C1 ZINC000875710757 689679864 /nfs/dbraw/zinc/67/98/64/689679864.db2.gz QNIYHIPCQCCCAD-CYBMUJFWSA-N 0 3 303.406 2.290 20 10 DECDHN CCOC(=O)c1ccc(CNCc2cc(OC)ccc2O)[nH]1 ZINC000877036321 690004475 /nfs/dbraw/zinc/00/44/75/690004475.db2.gz NVSQXJBPWWCNTL-UHFFFAOYSA-N 0 3 304.346 2.195 20 10 DECDHN Cc1cccc(O)c1CN(CCO)CCNC(=O)OC(C)(C)C ZINC000877394317 690100335 /nfs/dbraw/zinc/10/03/35/690100335.db2.gz ULVRUXZSLXEADE-UHFFFAOYSA-N 0 3 324.421 2.020 20 10 DECDHN Cc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)c([O-])c1 ZINC000877569965 690155014 /nfs/dbraw/zinc/15/50/14/690155014.db2.gz BPYQDXLVAAJTTI-RHSMWYFYSA-N 0 3 301.390 2.444 20 10 DECDHN COc1ccc(N2CCN(Cc3ccc(C)cc3O)CC2)nc1 ZINC000877576969 690156990 /nfs/dbraw/zinc/15/69/90/690156990.db2.gz RPYOBZJMGOGNKX-UHFFFAOYSA-N 0 3 313.401 2.426 20 10 DECDHN C[C@H]([NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000879650255 690699285 /nfs/dbraw/zinc/69/92/85/690699285.db2.gz RVXXLNFUDWIWKX-STQMWFEESA-N 0 3 324.421 2.319 20 10 DECDHN O[C@H](CNCc1ccc2c(c1)CCO2)C(F)(F)C(F)(F)F ZINC000883366566 691490109 /nfs/dbraw/zinc/49/01/09/691490109.db2.gz WHTVKPDOKAAQSI-LLVKDONJSA-N 0 3 311.250 2.270 20 10 DECDHN Cc1cc(Br)cc([C@@H](C)N[C@H]2CNOC2)c1O ZINC000925870540 693356948 /nfs/dbraw/zinc/35/69/48/693356948.db2.gz XNVSVJPGDLZGEW-SCZZXKLOSA-N 0 3 301.184 2.017 20 10 DECDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CNOC2)c1[O-] ZINC000925870540 693356954 /nfs/dbraw/zinc/35/69/54/693356954.db2.gz XNVSVJPGDLZGEW-SCZZXKLOSA-N 0 3 301.184 2.017 20 10 DECDHN COc1ccc(O)c(CN(C)Cc2ccc(C(N)=O)cc2)c1 ZINC001347213174 1151048599 /nfs/dbraw/zinc/04/85/99/1151048599.db2.gz VJLYNHOSEVDDCF-UHFFFAOYSA-N 0 3 300.358 2.132 20 10 DECDHN CN1CCN(c2ccc(CNc3ncc4cc[nH]c4n3)cc2)CC1 ZINC001167426912 777020295 /nfs/dbraw/zinc/02/02/95/777020295.db2.gz OFIAZCSFBUQYNC-UHFFFAOYSA-N 0 3 322.416 2.273 20 10 DECDHN CN(C)C[C@@H]1CN(Cc2ccc(N(C)C)cc2Cl)CCO1 ZINC001140921435 778016152 /nfs/dbraw/zinc/01/61/52/778016152.db2.gz CUSPPHXFAHABHH-OAHLLOKOSA-N 0 3 311.857 2.168 20 10 DECDHN COc1cccc2c1C[C@@H](NCc1ccc(O)c(O)c1)CO2 ZINC001173158027 793611909 /nfs/dbraw/zinc/61/19/09/793611909.db2.gz ZTNJUKQGHSPXOX-GFCCVEGCSA-N 0 3 301.342 2.200 20 10 DECDHN [NH3+][C@@H]1C[C@@H](F)CN(Cc2c([O-])cccc2Br)C1 ZINC001206423714 795332000 /nfs/dbraw/zinc/33/20/00/795332000.db2.gz LOMUKPKWBSKEEZ-RKDXNWHRSA-N 0 3 303.175 2.026 20 10 DECDHN Cc1cc(CN2C[C@H]([NH3+])C[C@@H](F)C2)c([O-])cc1Br ZINC001206454397 795481812 /nfs/dbraw/zinc/48/18/12/795481812.db2.gz DPVXIINBNYKURL-GHMZBOCLSA-N 0 3 317.202 2.334 20 10 DECDHN CC(C)(C)c1cc([O-])c(CN2C[C@H](O)[C@@H](C[NH3+])C2)cc1Cl ZINC001206536081 795735878 /nfs/dbraw/zinc/73/58/78/795735878.db2.gz XZGCQMSFSWBEOO-NHYWBVRUSA-N 0 3 312.841 2.095 20 10 DECDHN O=C(NCC1CC1)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001186638341 796429420 /nfs/dbraw/zinc/42/94/20/796429420.db2.gz CWQVEBUZAAZQHT-UHFFFAOYSA-N 0 3 303.406 2.066 20 10 DECDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@]2(CCN2c2ncccn2)C1 ZINC001140054076 796470852 /nfs/dbraw/zinc/47/08/52/796470852.db2.gz JDRRZCRGOIAXMW-QGZVFWFLSA-N 0 3 314.364 2.176 20 10 DECDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@]2(CCN2c2ncccn2)C1 ZINC001140054076 796470853 /nfs/dbraw/zinc/47/08/53/796470853.db2.gz JDRRZCRGOIAXMW-QGZVFWFLSA-N 0 3 314.364 2.176 20 10 DECDHN COc1cc(O)c(CN2CCC[C@@]3(CCC(=O)O3)C2)c(OC)c1 ZINC001141030685 796621334 /nfs/dbraw/zinc/62/13/34/796621334.db2.gz GPOAGOLQKQULNS-QGZVFWFLSA-N 0 3 321.373 2.081 20 10 DECDHN COC(=O)[C@@H]1CCCN(Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141146236 796639513 /nfs/dbraw/zinc/63/95/13/796639513.db2.gz PHYSKNOSUWFPCP-OAHLLOKOSA-N 0 3 318.417 2.290 20 10 DECDHN O=C1C[C@@]2(CC[N@@H+](Cc3ccccc3[O-])C2)CN1c1ccccn1 ZINC001203556911 800078224 /nfs/dbraw/zinc/07/82/24/800078224.db2.gz WWGBMTVAXZEFPK-LJQANCHMSA-N 0 3 323.396 2.416 20 10 DECDHN O=C1C[C@@]2(CC[N@H+](Cc3ccccc3[O-])C2)CN1c1ccccn1 ZINC001203556911 800078232 /nfs/dbraw/zinc/07/82/32/800078232.db2.gz WWGBMTVAXZEFPK-LJQANCHMSA-N 0 3 323.396 2.416 20 10 DECDHN O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2ccccc2[O-])N1Cc1cccnc1 ZINC001203551907 800078851 /nfs/dbraw/zinc/07/88/51/800078851.db2.gz SIRPMZIWQKZOJE-DLBZAZTESA-N 0 3 323.396 2.163 20 10 DECDHN O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2ccccc2[O-])N1Cc1cccnc1 ZINC001203551907 800078863 /nfs/dbraw/zinc/07/88/63/800078863.db2.gz SIRPMZIWQKZOJE-DLBZAZTESA-N 0 3 323.396 2.163 20 10 DECDHN COc1ccc(C[NH+]2CCC3(CCN(C(C)=O)C3)CC2)c([O-])c1 ZINC001203622292 800091858 /nfs/dbraw/zinc/09/18/58/800091858.db2.gz XDTPQDBMIBZIBO-UHFFFAOYSA-N 0 3 318.417 2.235 20 10 DECDHN CN(C)c1ccc(CN2CCC[C@@H](NC(=O)C3CC3)C2)cc1 ZINC001203937165 800149217 /nfs/dbraw/zinc/14/92/17/800149217.db2.gz OIULEORPQKSMSY-MRXNPFEDSA-N 0 3 301.434 2.243 20 10 DECDHN CN(CCN(C)C(=O)OC(C)(C)C)Cc1ccc(O)cc1O ZINC001204273092 800198515 /nfs/dbraw/zinc/19/85/15/800198515.db2.gz XOPNXRMIKJWHIN-UHFFFAOYSA-N 0 3 310.394 2.397 20 10 DECDHN CCc1noc([C@H]2CCC[N@H+](Cc3ccc(O)cc3[O-])C2)n1 ZINC001204281066 800200104 /nfs/dbraw/zinc/20/01/04/800200104.db2.gz PBADIFDGDGMPME-LBPRGKRZSA-N 0 3 303.362 2.423 20 10 DECDHN CCc1noc([C@H]2CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)n1 ZINC001204281066 800200106 /nfs/dbraw/zinc/20/01/06/800200106.db2.gz PBADIFDGDGMPME-LBPRGKRZSA-N 0 3 303.362 2.423 20 10 DECDHN CNC(=O)N[C@H]1CCCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204329275 800205290 /nfs/dbraw/zinc/20/52/90/800205290.db2.gz JQLKRPBGQYFFDK-INIZCTEOSA-N 0 3 316.449 2.180 20 10 DECDHN COc1cc([O-])c(CN2CC[C@](C)([NH3+])C2)cc1Br ZINC001204791369 800257875 /nfs/dbraw/zinc/25/78/75/800257875.db2.gz PUMJYWLNGPDOHK-ZDUSSCGKSA-N 0 3 315.211 2.086 20 10 DECDHN COc1cc(N(C)C)ccc1CN1CCC2(CC1)OCCO2 ZINC001231851605 801736666 /nfs/dbraw/zinc/73/66/66/801736666.db2.gz KHEPTNGZMQAJIE-UHFFFAOYSA-N 0 3 306.406 2.100 20 10 DECDHN CCN(CCn1cccn1)Cc1ccc(N(C)C)cc1OC ZINC001231854159 801738542 /nfs/dbraw/zinc/73/85/42/801738542.db2.gz AIYQOMNGVSKJON-UHFFFAOYSA-N 0 3 302.422 2.480 20 10 DECDHN COC(=O)c1c(CN2CCC[C@H](CO)C2)c2ccccc2n1C ZINC001232401539 801871060 /nfs/dbraw/zinc/87/10/60/801871060.db2.gz MURXPFOLFKSCOG-ZDUSSCGKSA-N 0 3 316.401 2.169 20 10 DECDHN COC(=O)c1c(CN2CC(C)(N(C)C)C2)c2ccccc2n1C ZINC001232405213 801872577 /nfs/dbraw/zinc/87/25/77/801872577.db2.gz IHYARFDEMSAJRD-UHFFFAOYSA-N 0 3 315.417 2.101 20 10 DECDHN COC(=O)[C@@H]1CN(Cc2cc(C(C)(C)C)ccc2O)CCCO1 ZINC001233287066 802064387 /nfs/dbraw/zinc/06/43/87/802064387.db2.gz VJMJKFUCLSJSSR-INIZCTEOSA-N 0 3 321.417 2.454 20 10 DECDHN COCCN(Cc1c([O-])ccc(F)c1F)C1CC[NH+](C)CC1 ZINC001233334894 802079309 /nfs/dbraw/zinc/07/93/09/802079309.db2.gz YNBUHSDCPACSAE-UHFFFAOYSA-N 0 3 314.376 2.213 20 10 DECDHN COCC[N@H+](Cc1c([O-])ccc(F)c1F)C1CCN(C)CC1 ZINC001233334894 802079315 /nfs/dbraw/zinc/07/93/15/802079315.db2.gz YNBUHSDCPACSAE-UHFFFAOYSA-N 0 3 314.376 2.213 20 10 DECDHN COCC[N@@H+](Cc1c([O-])ccc(F)c1F)C1CCN(C)CC1 ZINC001233334894 802079323 /nfs/dbraw/zinc/07/93/23/802079323.db2.gz YNBUHSDCPACSAE-UHFFFAOYSA-N 0 3 314.376 2.213 20 10 DECDHN [O-]c1c(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cccc1OC(F)(F)F ZINC001233737173 802193827 /nfs/dbraw/zinc/19/38/27/802193827.db2.gz YSPNBZODVUXJIZ-PHIMTYICSA-N 0 3 303.280 2.369 20 10 DECDHN [O-]c1c(C[N@H+]2C[C@@H]3COC[C@@H]3C2)cccc1OC(F)(F)F ZINC001233737173 802193830 /nfs/dbraw/zinc/19/38/30/802193830.db2.gz YSPNBZODVUXJIZ-PHIMTYICSA-N 0 3 303.280 2.369 20 10 DECDHN Cc1c[nH]c(=O)c(CNCc2ccc(N3CCOCC3)cc2)c1 ZINC001461810006 1058713993 /nfs/dbraw/zinc/71/39/93/1058713993.db2.gz ZSBDKFCNDDJTNP-UHFFFAOYSA-N 0 3 313.401 2.222 20 10 DECDHN COc1cc(C)c(C[NH+]2CCC(CCC(N)=O)CC2)c([O-])c1 ZINC001461937816 1058740635 /nfs/dbraw/zinc/74/06/35/1058740635.db2.gz UMUJCRUQTITRRX-UHFFFAOYSA-N 0 3 306.406 2.187 20 10 DECDHN COc1cc(C[NH+](C)C)ccc1NC(=O)c1cccc(O)c1[O-] ZINC001629508732 1078319613 /nfs/dbraw/zinc/31/96/13/1078319613.db2.gz LKABBWBOCUKFCC-UHFFFAOYSA-N 0 3 316.357 2.420 20 10 DECDHN Cc1cc([O-])c(C[NH2+]CCCN(C)Cc2cn[nH]n2)c(Cl)c1 ZINC001577349056 1066821123 /nfs/dbraw/zinc/82/11/23/1066821123.db2.gz ZCXLPYRQADLVQI-UHFFFAOYSA-N 0 3 323.828 2.084 20 10 DECDHN CC[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)[C@@H](CC)CN1 ZINC001573719934 1069080937 /nfs/dbraw/zinc/08/09/37/1069080937.db2.gz QPNCDYIMVAYJMY-CVEARBPZSA-N 0 3 318.465 2.425 20 10 DECDHN NCc1cccnc1NC(=O)NCc1cc(Cl)ccc1O ZINC001580347057 1075908522 /nfs/dbraw/zinc/90/85/22/1075908522.db2.gz IOKZMGLYOIHXET-UHFFFAOYSA-N 0 3 306.753 2.221 20 10 DECDHN COc1cc(Cl)cc(CN(C)C2CCS(=O)CC2)c1O ZINC001657358544 1080171373 /nfs/dbraw/zinc/17/13/73/1080171373.db2.gz FEMMFEKPOMDJQA-UHFFFAOYSA-N 0 3 317.838 2.397 20 10 DECDHN COc1cc(Cl)cc(C[N@H+](C)C2CCS(=O)CC2)c1[O-] ZINC001657358544 1080171376 /nfs/dbraw/zinc/17/13/76/1080171376.db2.gz FEMMFEKPOMDJQA-UHFFFAOYSA-N 0 3 317.838 2.397 20 10 DECDHN COc1cc(Cl)cc(C[N@@H+](C)C2CCS(=O)CC2)c1[O-] ZINC001657358544 1080171378 /nfs/dbraw/zinc/17/13/78/1080171378.db2.gz FEMMFEKPOMDJQA-UHFFFAOYSA-N 0 3 317.838 2.397 20 10 DECDHN COc1ccc(C[NH2+]Cc2cccc(S(C)(=O)=O)c2)c([O-])c1 ZINC001658992290 1080225399 /nfs/dbraw/zinc/22/53/99/1080225399.db2.gz DRRJXFDCOTZDFC-UHFFFAOYSA-N 0 3 321.398 2.094 20 10 DECDHN COc1ccc(CNCc2cccc(S(C)(=O)=O)c2)c(O)c1 ZINC001658992290 1080225404 /nfs/dbraw/zinc/22/54/04/1080225404.db2.gz DRRJXFDCOTZDFC-UHFFFAOYSA-N 0 3 321.398 2.094 20 10 DECDHN COc1ccc(CNC2(CNC(=O)c3ccon3)CC2)cc1C ZINC001269379233 1081233750 /nfs/dbraw/zinc/23/37/50/1081233750.db2.gz FBPMDBCMEQUCIK-UHFFFAOYSA-N 0 3 315.373 2.044 20 10 DECDHN NC(=O)[C@@H]1CC[N@H+](Cc2ccc(O)cc2[O-])[C@H]1c1ccccc1 ZINC001277192459 1083839041 /nfs/dbraw/zinc/83/90/41/1083839041.db2.gz OJXNVMYIIYNXTD-WBVHZDCISA-N 0 3 312.369 2.146 20 10 DECDHN NC(=O)[C@@H]1CC[N@@H+](Cc2ccc(O)cc2[O-])[C@H]1c1ccccc1 ZINC001277192459 1083839049 /nfs/dbraw/zinc/83/90/49/1083839049.db2.gz OJXNVMYIIYNXTD-WBVHZDCISA-N 0 3 312.369 2.146 20 10 DECDHN [O-]c1c(C[N@H+]2CC[C@H](CO)[C@H](O)C2)cccc1-c1ccccc1 ZINC001234998128 1084264330 /nfs/dbraw/zinc/26/43/30/1084264330.db2.gz FUZRGZNYRMSTLT-SJLPKXTDSA-N 0 3 313.397 2.234 20 10 DECDHN [O-]c1c(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)cccc1-c1ccccc1 ZINC001234998128 1084264343 /nfs/dbraw/zinc/26/43/43/1084264343.db2.gz FUZRGZNYRMSTLT-SJLPKXTDSA-N 0 3 313.397 2.234 20 10 DECDHN CC(C)NC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccccc1[O-] ZINC001275267591 1091645585 /nfs/dbraw/zinc/64/55/85/1091645585.db2.gz SFVZNWDSZRBPNE-GJZGRUSLSA-N 0 3 303.406 2.159 20 10 DECDHN CC(C)NC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccccc1[O-] ZINC001275267591 1091645590 /nfs/dbraw/zinc/64/55/90/1091645590.db2.gz SFVZNWDSZRBPNE-GJZGRUSLSA-N 0 3 303.406 2.159 20 10 DECDHN Cc1cc(CN2CC[C@](C)(O)C2)c(O)cc1Br ZINC001250120599 1091874329 /nfs/dbraw/zinc/87/43/29/1091874329.db2.gz KGTWWLIULZSVHO-ZDUSSCGKSA-N 0 3 300.196 2.420 20 10 DECDHN Cc1cc(C[N@@H+]2CC[C@](C)(O)C2)c([O-])cc1Br ZINC001250120599 1091874337 /nfs/dbraw/zinc/87/43/37/1091874337.db2.gz KGTWWLIULZSVHO-ZDUSSCGKSA-N 0 3 300.196 2.420 20 10 DECDHN Cc1cc(C[N@H+]2CC[C@](C)(O)C2)c([O-])cc1Br ZINC001250120599 1091874340 /nfs/dbraw/zinc/87/43/40/1091874340.db2.gz KGTWWLIULZSVHO-ZDUSSCGKSA-N 0 3 300.196 2.420 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CCCC[C@@]23CC(=O)N(C)C3)c([O-])c1 ZINC001236810345 1138434522 /nfs/dbraw/zinc/43/45/22/1138434522.db2.gz WKQQUANIOXDBHH-SFHVURJKSA-N 0 3 318.417 2.296 20 10 DECDHN COc1cc(C)c(C[N@H+]2CCCC[C@@]23CC(=O)N(C)C3)c([O-])c1 ZINC001236810345 1138434527 /nfs/dbraw/zinc/43/45/27/1138434527.db2.gz WKQQUANIOXDBHH-SFHVURJKSA-N 0 3 318.417 2.296 20 10 DECDHN Clc1cc(N2CCOCC2)ccc1CN1CCN2CC[C@H]1C2 ZINC001236920264 1138456732 /nfs/dbraw/zinc/45/67/32/1138456732.db2.gz SZMUMFIOAYXUQI-INIZCTEOSA-N 0 3 321.852 2.067 20 10 DECDHN Clc1cc(N2CCOCC2)ccc1CN1CCN2CC[C@@H]2C1 ZINC001236930358 1138460143 /nfs/dbraw/zinc/46/01/43/1138460143.db2.gz MPEDKFJJLUUSIE-MRXNPFEDSA-N 0 3 321.852 2.067 20 10 DECDHN COC(=O)[C@H]1CN(Cc2ccc(C(C)C)cc2O)CCCO1 ZINC001237055826 1138492480 /nfs/dbraw/zinc/49/24/80/1138492480.db2.gz QRPLBYSTAXEZJT-MRXNPFEDSA-N 0 3 307.390 2.280 20 10 DECDHN CNC(=O)NC1CC[NH+](Cc2ccc(C(C)C)cc2[O-])CC1 ZINC001237056211 1138493307 /nfs/dbraw/zinc/49/33/07/1138493307.db2.gz VAWDWRWLJOXAET-UHFFFAOYSA-N 0 3 305.422 2.409 20 10 DECDHN COc1cc(CN2CCN(C3CCC3)CC2)c(O)c(OC)c1 ZINC001237674716 1138747737 /nfs/dbraw/zinc/74/77/37/1138747737.db2.gz LSLYCROLZGWBAI-UHFFFAOYSA-N 0 3 306.406 2.080 20 10 DECDHN CCOC(=O)[C@@H]1CCCN(Cc2cc(OC)cc(OC)c2O)C1 ZINC001237677109 1138753305 /nfs/dbraw/zinc/75/33/05/1138753305.db2.gz XDGSDDHHMJPKBG-GFCCVEGCSA-N 0 3 323.389 2.185 20 10 DECDHN CCOCCN(C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001320180582 1140835394 /nfs/dbraw/zinc/83/53/94/1140835394.db2.gz RJAVMHYYFILJCO-UHFFFAOYSA-N 0 3 309.429 2.046 20 10 DECDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CCOC[C@](C)(O)C3)ccc2O1 ZINC001249224462 1141862335 /nfs/dbraw/zinc/86/23/35/1141862335.db2.gz ZQIBLLVIFLCEPP-GOSISDBHSA-N 0 3 319.401 2.160 20 10 DECDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CCOC[C@](C)(O)C3)ccc2O1 ZINC001249224462 1141862337 /nfs/dbraw/zinc/86/23/37/1141862337.db2.gz ZQIBLLVIFLCEPP-GOSISDBHSA-N 0 3 319.401 2.160 20 10 DECDHN CC1(C)C=Cc2c(O)c(CN3CCOC[C@](C)(O)C3)ccc2O1 ZINC001249224462 1141862338 /nfs/dbraw/zinc/86/23/38/1141862338.db2.gz ZQIBLLVIFLCEPP-GOSISDBHSA-N 0 3 319.401 2.160 20 10 DECDHN COC(=O)N(C)CCN(C)Cc1ccc(N2CCCC2)cc1 ZINC001261673067 1144265660 /nfs/dbraw/zinc/26/56/60/1144265660.db2.gz KNRMPZWFOHLEFY-UHFFFAOYSA-N 0 3 305.422 2.417 20 10 DECDHN CC[NH+](CC)CC[C@H](C)NC(=O)NCc1c([O-])cccc1F ZINC001263793422 1144394966 /nfs/dbraw/zinc/39/49/66/1144394966.db2.gz TWSUJHJBOHAECV-LBPRGKRZSA-N 0 3 311.401 2.451 20 10 DECDHN CN(C)c1ccc(CN2CCCN(c3ncccn3)CC2)cc1 ZINC000093056343 355666175 /nfs/dbraw/zinc/66/61/75/355666175.db2.gz UEHLENJVTZZYBM-UHFFFAOYSA-N 0 3 311.433 2.255 20 10 DECDHN COc1cccc(CN(C)Cc2ccc(C(N)=O)cc2)c1O ZINC001327419033 1148550727 /nfs/dbraw/zinc/55/07/27/1148550727.db2.gz CQQMCYFKFIPAEC-UHFFFAOYSA-N 0 3 300.358 2.132 20 10 DECDHN Cc1cc(C)c([C@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)c([O-])c1 ZINC000294860741 224269749 /nfs/dbraw/zinc/26/97/49/224269749.db2.gz SZPASDZLJKJGIS-ZDUSSCGKSA-N 0 3 311.447 2.484 20 10 DECDHN COCCOCCOCCC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000274690430 130255016 /nfs/dbraw/zinc/25/50/16/130255016.db2.gz UOOIUUALIMJUHA-CYBMUJFWSA-N 0 3 315.385 2.252 20 10 DECDHN [O-]c1cc2c(cc1C[NH2+][C@H]1CCO[C@@H]1c1cccnc1)OCO2 ZINC000284977284 131127933 /nfs/dbraw/zinc/12/79/33/131127933.db2.gz KVPRKOQJYHYUAC-SUMWQHHRSA-N 0 3 314.341 2.136 20 10 DECDHN CN(C)[C@@H](CNC(=O)NCc1ccccc1O)c1ccccc1 ZINC000299469786 132107102 /nfs/dbraw/zinc/10/71/02/132107102.db2.gz CPLMVKTXBFEIKI-INIZCTEOSA-N 0 3 313.401 2.494 20 10 DECDHN Cc1cc([O-])c(C[NH+]2CCC3(CCN(C)C3=O)CC2)cc1C ZINC000364616559 404473726 /nfs/dbraw/zinc/47/37/26/404473726.db2.gz UPYZEJLNWCXEEH-UHFFFAOYSA-N 0 3 302.418 2.453 20 10 DECDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000132712285 401872522 /nfs/dbraw/zinc/87/25/22/401872522.db2.gz WLJBISKZWOIVFM-CYBMUJFWSA-N 0 3 322.405 2.500 20 10 DECDHN COc1cccc(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c1[O-] ZINC000154833528 402234983 /nfs/dbraw/zinc/23/49/83/402234983.db2.gz VKWXMRDWDOQPCS-HNNXBMFYSA-N 0 3 318.417 2.139 20 10 DECDHN COc1cccc(C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c1[O-] ZINC000154833528 402234985 /nfs/dbraw/zinc/23/49/85/402234985.db2.gz VKWXMRDWDOQPCS-HNNXBMFYSA-N 0 3 318.417 2.139 20 10 DECDHN COc1ccc([O-])c(C[NH2+]CCN(C)C(=O)OC(C)(C)C)c1 ZINC000224576120 402314011 /nfs/dbraw/zinc/31/40/11/402314011.db2.gz DCTFMLWQQZBTOY-UHFFFAOYSA-N 0 3 310.394 2.357 20 10 DECDHN CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000185345119 402346150 /nfs/dbraw/zinc/34/61/50/402346150.db2.gz BWASJZQMCQFWHE-LSDHHAIUSA-N 0 3 323.456 2.456 20 10 DECDHN C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000227688781 402333190 /nfs/dbraw/zinc/33/31/90/402333190.db2.gz UZPCYVAFWAJWTA-JTQLQIEISA-N 0 3 324.377 2.124 20 10 DECDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1C[C@H](F)CN1 ZINC000188181756 402517050 /nfs/dbraw/zinc/51/70/50/402517050.db2.gz JZMGHCBVIFYVOV-DOTOQJQBSA-N 0 3 319.424 2.335 20 10 DECDHN C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2ccccc2[O-])CC1 ZINC000179565132 402595290 /nfs/dbraw/zinc/59/52/90/402595290.db2.gz RRLGILGCRHRCCB-IAGOWNOFSA-N 0 3 317.477 2.383 20 10 DECDHN COc1ccc([O-])c(C[N@@H+]2CCOCC3(CCOCC3)C2)c1 ZINC000183269179 402751510 /nfs/dbraw/zinc/75/15/10/402751510.db2.gz FBKVVQWZGVSMNV-UHFFFAOYSA-N 0 3 307.390 2.030 20 10 DECDHN COc1ccc([O-])c(C[N@H+]2CCOCC3(CCOCC3)C2)c1 ZINC000183269179 402751514 /nfs/dbraw/zinc/75/15/14/402751514.db2.gz FBKVVQWZGVSMNV-UHFFFAOYSA-N 0 3 307.390 2.030 20 10 DECDHN COc1ccc(O)c(CN2CCOCC3(CCOCC3)C2)c1 ZINC000183269179 402751516 /nfs/dbraw/zinc/75/15/16/402751516.db2.gz FBKVVQWZGVSMNV-UHFFFAOYSA-N 0 3 307.390 2.030 20 10 DECDHN COc1c([O-])c(C[N@H+](C)C[C@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000278323695 402863354 /nfs/dbraw/zinc/86/33/54/402863354.db2.gz YNNGFMAIZSUWLX-LBPRGKRZSA-N 0 3 323.393 2.083 20 10 DECDHN COc1c([O-])c(C[N@@H+](C)C[C@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000278323695 402863356 /nfs/dbraw/zinc/86/33/56/402863356.db2.gz YNNGFMAIZSUWLX-LBPRGKRZSA-N 0 3 323.393 2.083 20 10 DECDHN COc1c([O-])c(CN(C)C[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000278323695 402863357 /nfs/dbraw/zinc/86/33/57/402863357.db2.gz YNNGFMAIZSUWLX-LBPRGKRZSA-N 0 3 323.393 2.083 20 10 DECDHN COc1c([O-])c(CN(C)C[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000278323695 402863358 /nfs/dbraw/zinc/86/33/58/402863358.db2.gz YNNGFMAIZSUWLX-LBPRGKRZSA-N 0 3 323.393 2.083 20 10 DECDHN CCCOc1ccc(C[NH2+][C@H](COC)[C@H]2CCCO2)c([O-])c1 ZINC000278733446 402869925 /nfs/dbraw/zinc/86/99/25/402869925.db2.gz UPQFXZZIXRMXIB-NVXWUHKLSA-N 0 3 309.406 2.465 20 10 DECDHN CC[C@@H]([NH2+]CCCN1CCN(C)CC1)c1ccc(C)cc1[O-] ZINC000280060310 402966909 /nfs/dbraw/zinc/96/69/09/402966909.db2.gz KGDGSIYYKPSEDY-QGZVFWFLSA-N 0 3 305.466 2.379 20 10 DECDHN C[C@@H]1CN(Cc2c([O-])cccc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000276053838 403142343 /nfs/dbraw/zinc/14/23/43/403142343.db2.gz URQBQLTXBAAFQP-GFCCVEGCSA-N 0 3 312.841 2.323 20 10 DECDHN C[C@@H]1CN(Cc2c([O-])cccc2Cl)CC[N@H+]1CC(C)(C)O ZINC000276053838 403142346 /nfs/dbraw/zinc/14/23/46/403142346.db2.gz URQBQLTXBAAFQP-GFCCVEGCSA-N 0 3 312.841 2.323 20 10 DECDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)Cn1cccn1 ZINC000282428844 403153317 /nfs/dbraw/zinc/15/33/17/403153317.db2.gz JXYFYYVMUAETLE-INIZCTEOSA-N 0 3 303.406 2.252 20 10 DECDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H](O)Cn1cccn1 ZINC000282428844 403153318 /nfs/dbraw/zinc/15/33/18/403153318.db2.gz JXYFYYVMUAETLE-INIZCTEOSA-N 0 3 303.406 2.252 20 10 DECDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCS(=O)(=O)C1 ZINC000282444011 403154547 /nfs/dbraw/zinc/15/45/47/403154547.db2.gz LGRMWELXHWRKAL-CQSZACIVSA-N 0 3 311.447 2.429 20 10 DECDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCS(=O)(=O)C1 ZINC000282444011 403154549 /nfs/dbraw/zinc/15/45/49/403154549.db2.gz LGRMWELXHWRKAL-CQSZACIVSA-N 0 3 311.447 2.429 20 10 DECDHN C[C@H]1C[C@@H](O)CCN1Cc1cc(Br)ccc1O ZINC000292859917 403381226 /nfs/dbraw/zinc/38/12/26/403381226.db2.gz VGEHDNXMWAWENO-CABZTGNLSA-N 0 3 300.196 2.500 20 10 DECDHN COc1cc([N+](=O)[O-])c(N2CC[C@@H](N3CCCC3)C2)cc1OC ZINC000301946697 403703981 /nfs/dbraw/zinc/70/39/81/403703981.db2.gz XRGYVTCPAQVELN-GFCCVEGCSA-N 0 3 321.377 2.287 20 10 DECDHN COc1cccc(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1O ZINC000289668424 403992020 /nfs/dbraw/zinc/99/20/20/403992020.db2.gz NNAJGJHLUSBTNQ-NWDGAFQWSA-N 0 3 319.323 2.394 20 10 DECDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c1 ZINC000289709386 403993234 /nfs/dbraw/zinc/99/32/34/403993234.db2.gz GOBWRNHLJZJCIC-CZUORRHYSA-N 0 3 306.406 2.184 20 10 DECDHN COC(=O)c1cc(CNCc2ccc(N(C)C)cc2)n(C)c1C ZINC000291146062 404375552 /nfs/dbraw/zinc/37/55/52/404375552.db2.gz GSUOIDXFGAAWCR-UHFFFAOYSA-N 0 3 315.417 2.476 20 10 DECDHN C[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(F)cc1[O-] ZINC000368330412 227008625 /nfs/dbraw/zinc/00/86/25/227008625.db2.gz VWPOXEJDURMZJQ-ZFWWWQNUSA-N 0 3 321.440 2.350 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](c3nccn3C)C2)cc1OC ZINC000371366958 227070709 /nfs/dbraw/zinc/07/07/09/227070709.db2.gz QYUNPOBBXZDRCV-LBPRGKRZSA-N 0 3 317.389 2.132 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CC[C@H](c3nccn3C)C2)cc1OC ZINC000371366958 227070711 /nfs/dbraw/zinc/07/07/11/227070711.db2.gz QYUNPOBBXZDRCV-LBPRGKRZSA-N 0 3 317.389 2.132 20 10 DECDHN Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000418105557 229223758 /nfs/dbraw/zinc/22/37/58/229223758.db2.gz ZWNHBELQFAEEHN-OLZOCXBDSA-N 0 3 314.433 2.379 20 10 DECDHN CC1(C)CN(C(=O)c2cn[n-]c2[C@H]2CC[NH2+]C2)c2ccccc21 ZINC000662497519 425665113 /nfs/dbraw/zinc/66/51/13/425665113.db2.gz KRPWQLRYJWPRQT-LBPRGKRZSA-N 0 3 310.401 2.425 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)[C@@H](CO)SC)c1[O-] ZINC000230934737 533953864 /nfs/dbraw/zinc/95/38/64/533953864.db2.gz PNEKJTXXUKUFMD-QPUJVOFHSA-N 0 3 305.827 2.256 20 10 DECDHN CCOc1ccc([O-])c(C[NH+]2CCC(C3OCCO3)CC2)c1 ZINC000130113270 521142438 /nfs/dbraw/zinc/14/24/38/521142438.db2.gz JUKXUBRRMBFQGG-UHFFFAOYSA-N 0 3 307.390 2.376 20 10 DECDHN CN(C)c1ccc(CN[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000182232413 522212863 /nfs/dbraw/zinc/21/28/63/522212863.db2.gz YQYNKDYTNPMSST-CVEARBPZSA-N 0 3 310.463 2.198 20 10 DECDHN CN1CCCc2cc(CNC(=O)C3(N)CCCCC3)ccc21 ZINC000237128062 523859835 /nfs/dbraw/zinc/85/98/35/523859835.db2.gz YIQGLXYAFURWKJ-UHFFFAOYSA-N 0 3 301.434 2.347 20 10 DECDHN CN1CCCc2cc(CNC(=O)[C@@]3(C)CCCCN3)ccc21 ZINC000237128886 523861132 /nfs/dbraw/zinc/86/11/32/523861132.db2.gz OEHCUFVKXIKSRL-GOSISDBHSA-N 0 3 301.434 2.217 20 10 DECDHN Cc1ccc([C@@H](C[NH2+]Cc2ccccc2[O-])N2CCOCC2)o1 ZINC000237887303 525763247 /nfs/dbraw/zinc/76/32/47/525763247.db2.gz YFASFORPPPWEPD-MRXNPFEDSA-N 0 3 316.401 2.457 20 10 DECDHN CCOc1cccc(CN[C@H]2C[C@@H]3CCCCN3C2=O)c1O ZINC000835074531 649875300 /nfs/dbraw/zinc/87/53/00/649875300.db2.gz RPKSTVQYDRSXKY-KBPBESRZSA-N 0 3 304.390 2.034 20 10 DECDHN C[C@@H]1CCC[C@@](CNC(=O)c2cccc(O)c2[O-])([NH+](C)C)C1 ZINC000192989206 625594735 /nfs/dbraw/zinc/59/47/35/625594735.db2.gz LXAVDTMTWKSGDY-SJKOYZFVSA-N 0 3 306.406 2.338 20 10 DECDHN CCOC(C)(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247302 623791327 /nfs/dbraw/zinc/79/13/27/623791327.db2.gz TWNSUSFKCMYBAS-INIZCTEOSA-N 0 3 321.465 2.287 20 10 DECDHN COC1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCC1 ZINC000891247895 623791624 /nfs/dbraw/zinc/79/16/24/623791624.db2.gz IPFFYCYGYGFKIW-MRXNPFEDSA-N 0 3 319.449 2.041 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCC=CO2)N(C)C)cc1 ZINC000891247186 623791777 /nfs/dbraw/zinc/79/17/77/623791777.db2.gz GSYRLZPMJAHGBX-IRXDYDNUSA-N 0 3 317.433 2.164 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)CCC(C)(C)O)N(C)C)cc1 ZINC000891248436 623792479 /nfs/dbraw/zinc/79/24/79/623792479.db2.gz LNYBWAVAEJIYRO-MRXNPFEDSA-N 0 3 321.465 2.023 20 10 DECDHN CCC[C@@H](O)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891253443 623799246 /nfs/dbraw/zinc/79/92/46/623799246.db2.gz SLUJFOJUBJKUCS-IAGOWNOFSA-N 0 3 321.465 2.023 20 10 DECDHN CC[C@@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891409722 624153707 /nfs/dbraw/zinc/15/37/07/624153707.db2.gz IHANAISUYJBLCW-CJNGLKHVSA-N 0 3 306.454 2.453 20 10 DECDHN CCOCc1cc(CN[C@@H]2CCCN(CC)C2=O)ccc1OC ZINC000922639111 636290335 /nfs/dbraw/zinc/29/03/35/636290335.db2.gz HVVILAWYYWSMAG-MRXNPFEDSA-N 0 3 320.433 2.332 20 10 DECDHN COc1cc(C)cc(CNC2CN(C(=O)OC(C)(C)C)C2)c1O ZINC000894317733 636824461 /nfs/dbraw/zinc/82/44/61/636824461.db2.gz PVENGEJCCMYCHL-UHFFFAOYSA-N 0 3 322.405 2.418 20 10 DECDHN Cc1cc(N(C)C)ccc1CN[C@@H]1C[C@@H]2CCCCN2C1=O ZINC000840953329 650394366 /nfs/dbraw/zinc/39/43/66/650394366.db2.gz QCZLKOMKADUFER-DLBZAZTESA-N 0 3 301.434 2.304 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2C=CCC2)N(C)C)cc1 ZINC000895719444 638164599 /nfs/dbraw/zinc/16/45/99/638164599.db2.gz RXRSGVLGQAETRO-WBVHZDCISA-N 0 3 316.449 2.373 20 10 DECDHN Cc1ccc(C[N@@H+]2CCC[C@H]([C@]3(C)COC(=O)N3)C2)c([O-])c1 ZINC000896398819 638503428 /nfs/dbraw/zinc/50/34/28/638503428.db2.gz WVHGPRPEXJHNAK-YOEHRIQHSA-N 0 3 304.390 2.411 20 10 DECDHN Cc1ccc(C[N@H+]2CCC[C@H]([C@]3(C)COC(=O)N3)C2)c([O-])c1 ZINC000896398819 638503432 /nfs/dbraw/zinc/50/34/32/638503432.db2.gz WVHGPRPEXJHNAK-YOEHRIQHSA-N 0 3 304.390 2.411 20 10 DECDHN CN(C)c1ccc(CN2CCC([C@H]3COC(=O)N3)CC2)cc1F ZINC000897026737 639137607 /nfs/dbraw/zinc/13/76/07/639137607.db2.gz MZICJXZNHZKVBE-OAHLLOKOSA-N 0 3 321.396 2.212 20 10 DECDHN CCOc1ccc(C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)c([O-])c1 ZINC000897261561 639294886 /nfs/dbraw/zinc/29/48/86/639294886.db2.gz JJQQVMKYWHKEOA-HNNXBMFYSA-N 0 3 321.417 2.297 20 10 DECDHN CCO[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2OC)[C@]12CCCO2 ZINC000759178136 640035255 /nfs/dbraw/zinc/03/52/55/640035255.db2.gz UPGXDDPAMIPOCT-GVDBMIGSSA-N 0 3 307.390 2.217 20 10 DECDHN CCCN1CCC[C@@H]1C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000761967329 640367156 /nfs/dbraw/zinc/36/71/56/640367156.db2.gz LZWTUHVFYXTPLT-IUODEOHRSA-N 0 3 306.406 2.452 20 10 DECDHN C[C@@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1ccc(Cl)cc1[O-] ZINC000841746659 640493243 /nfs/dbraw/zinc/49/32/43/640493243.db2.gz JVNCUTNDKVIFQM-QWHCGFSZSA-N 0 3 311.857 2.332 20 10 DECDHN COc1cc(CN(C)Cc2cc3c(cc2O)OCO3)ccc1O ZINC000768239177 641062371 /nfs/dbraw/zinc/06/23/71/641062371.db2.gz IAGSISWPBRYOFS-UHFFFAOYSA-N 0 3 317.341 2.467 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@]3(CCCOC3)C1)[C@@H](O)CO2 ZINC000768464749 641084265 /nfs/dbraw/zinc/08/42/65/641084265.db2.gz UHRJSDZGHGAOFF-FUHWJXTLSA-N 0 3 319.401 2.211 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@]3(CCCOC3)C1)[C@@H](O)CO2 ZINC000768464749 641084267 /nfs/dbraw/zinc/08/42/67/641084267.db2.gz UHRJSDZGHGAOFF-FUHWJXTLSA-N 0 3 319.401 2.211 20 10 DECDHN CC(C)CO[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768464120 641084936 /nfs/dbraw/zinc/08/49/36/641084936.db2.gz NMXFUGDQHCHVQS-BBRMVZONSA-N 0 3 307.390 2.065 20 10 DECDHN CC(C)CO[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768464120 641084941 /nfs/dbraw/zinc/08/49/41/641084941.db2.gz NMXFUGDQHCHVQS-BBRMVZONSA-N 0 3 307.390 2.065 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c([O-])c1 ZINC000769306373 641214156 /nfs/dbraw/zinc/21/41/56/641214156.db2.gz SNZWRJCOTVVNJN-CQSZACIVSA-N 0 3 307.390 2.376 20 10 DECDHN CCOc1ccc(C[N@H+]2CCC[C@@H](C3OCCO3)C2)c([O-])c1 ZINC000769306373 641214161 /nfs/dbraw/zinc/21/41/61/641214161.db2.gz SNZWRJCOTVVNJN-CQSZACIVSA-N 0 3 307.390 2.376 20 10 DECDHN C[N@@H+]1CCC[C@@H](N2CCN(Cc3c([O-])cccc3Cl)CC2)C1 ZINC000769381515 641229944 /nfs/dbraw/zinc/22/99/44/641229944.db2.gz PDZVUMQHJJHJTR-CQSZACIVSA-N 0 3 323.868 2.257 20 10 DECDHN C[N@H+]1CCC[C@@H](N2CCN(Cc3c([O-])cccc3Cl)CC2)C1 ZINC000769381515 641229950 /nfs/dbraw/zinc/22/99/50/641229950.db2.gz PDZVUMQHJJHJTR-CQSZACIVSA-N 0 3 323.868 2.257 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)c([O-])c1 ZINC000769379757 641230178 /nfs/dbraw/zinc/23/01/78/641230178.db2.gz LVTMHPLBICAPDD-HNNXBMFYSA-N 0 3 318.417 2.378 20 10 DECDHN CCOc1ccc(C[N@H+]2CCC[C@H](N3CCCC3=O)C2)c([O-])c1 ZINC000769379757 641230182 /nfs/dbraw/zinc/23/01/82/641230182.db2.gz LVTMHPLBICAPDD-HNNXBMFYSA-N 0 3 318.417 2.378 20 10 DECDHN COCC1(C)CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000773273023 641751823 /nfs/dbraw/zinc/75/18/23/641751823.db2.gz VRKOLAFWDJNIDL-OAHLLOKOSA-N 0 3 307.390 2.067 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)NC/C=C/Cl)N(C)C)cc1 ZINC000899029266 641903887 /nfs/dbraw/zinc/90/38/87/641903887.db2.gz JBPVZXARSUYFAT-RNOHYWCBSA-N 0 3 324.856 2.407 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@H](F)C2)N(C)C)cc1 ZINC000899099119 641940364 /nfs/dbraw/zinc/94/03/64/641940364.db2.gz VQMLJHPHRLWGEF-ZBFHGGJFSA-N 0 3 322.428 2.109 20 10 DECDHN CC[C@@H](C)NC(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775257055 642022408 /nfs/dbraw/zinc/02/24/08/642022408.db2.gz DZHJQGBLQTXWEN-CABCVRRESA-N 0 3 319.449 2.089 20 10 DECDHN C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)[C@@H](C)CO1 ZINC000775653258 642073180 /nfs/dbraw/zinc/07/31/80/642073180.db2.gz BJZXWZCHNCQRAN-JKSUJKDBSA-N 0 3 303.450 2.048 20 10 DECDHN COc1ccc(O)c(CN(C)Cc2cccc(C(N)=O)c2)c1 ZINC000775658755 642074748 /nfs/dbraw/zinc/07/47/48/642074748.db2.gz RWJXAANFQCUQQN-UHFFFAOYSA-N 0 3 300.358 2.132 20 10 DECDHN C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)[C@H](C)CN1C ZINC000775984947 642119605 /nfs/dbraw/zinc/11/96/05/642119605.db2.gz IPWFFVCXDDHMGK-HUUCEWRRSA-N 0 3 321.440 2.187 20 10 DECDHN C[C@@H]1[C@H](C)N(Cc2ccc(N3CCOCC3)c(F)c2)CCN1C ZINC000775986917 642120675 /nfs/dbraw/zinc/12/06/75/642120675.db2.gz SQWAGVFQJIKJCB-CABCVRRESA-N 0 3 321.440 2.187 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=S)NCC2CC2)N(C)C)cc1 ZINC000899723913 642149716 /nfs/dbraw/zinc/14/97/16/642149716.db2.gz FXGLJCHTPHJPEN-MRXNPFEDSA-N 0 3 320.506 2.229 20 10 DECDHN COc1cc(Br)cc(C[NH2+][C@H]2CO[C@@H](C)C2)c1[O-] ZINC000842773607 650823544 /nfs/dbraw/zinc/82/35/44/650823544.db2.gz BYAIALLWIRBSAI-GZMMTYOYSA-N 0 3 316.195 2.430 20 10 DECDHN CCOc1ccc(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c([O-])c1 ZINC000790618918 643873638 /nfs/dbraw/zinc/87/36/38/643873638.db2.gz LDINLIMRNIEBGK-BBRMVZONSA-N 0 3 311.422 2.039 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H](OC)[C@@H](OC)C3)c2c1 ZINC000792713928 644141790 /nfs/dbraw/zinc/14/17/90/644141790.db2.gz OGIGJZHWBMBMEW-HDICACEKSA-N 0 3 317.385 2.400 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H](OC)[C@@H](OC)C3)c2c1 ZINC000792713928 644141792 /nfs/dbraw/zinc/14/17/92/644141792.db2.gz OGIGJZHWBMBMEW-HDICACEKSA-N 0 3 317.385 2.400 20 10 DECDHN [O-]c1ccc(Br)cc1CN1CC[NH2+]C[C@@H]1C(F)F ZINC000843124676 650900847 /nfs/dbraw/zinc/90/08/47/650900847.db2.gz JLMRDQHVKLUXSB-SNVBAGLBSA-N 0 3 321.165 2.194 20 10 DECDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CCNC(=O)OC(C)(C)C ZINC000794410575 644414031 /nfs/dbraw/zinc/41/40/31/644414031.db2.gz BWEHPHXLRKXHOC-AWEZNQCLSA-N 0 3 324.421 2.100 20 10 DECDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)CCNC(=O)OC(C)(C)C ZINC000794410575 644414035 /nfs/dbraw/zinc/41/40/35/644414035.db2.gz BWEHPHXLRKXHOC-AWEZNQCLSA-N 0 3 324.421 2.100 20 10 DECDHN C[C@H]1C[C@H]([NH2+]CC(=O)NCC(F)F)c2c1c(F)ccc2[O-] ZINC000795845037 644646456 /nfs/dbraw/zinc/64/64/56/644646456.db2.gz OKXKWAHJRUNEOH-CBAPKCEASA-N 0 3 302.296 2.051 20 10 DECDHN COCCn1cc(CN[C@H](C)c2cc(OC)ccc2O)cn1 ZINC000800495108 645280624 /nfs/dbraw/zinc/28/06/24/645280624.db2.gz KCIGVBJHUZSUNL-GFCCVEGCSA-N 0 3 305.378 2.095 20 10 DECDHN CN(C)C(=O)N[C@@H]1CCCN(Cc2cc3c(cc2O)CCC3)C1 ZINC000840147672 646148849 /nfs/dbraw/zinc/14/88/49/646148849.db2.gz UKWFZACYMNBOOA-MRXNPFEDSA-N 0 3 317.433 2.117 20 10 DECDHN CCN(CC)c1ccc(CN2C[C@H]3[C@H](C(=O)OC)[C@H]3C2)cc1 ZINC000814173131 646856305 /nfs/dbraw/zinc/85/63/05/646856305.db2.gz JKIRUQBYHWYJIK-FVQHAEBGSA-N 0 3 302.418 2.384 20 10 DECDHN C[C@H](CNC(=O)NCc1c([O-])cccc1F)[NH+]1CCCCC1 ZINC000914294407 647253445 /nfs/dbraw/zinc/25/34/45/647253445.db2.gz ZQQDKPJRTFOYIG-GFCCVEGCSA-N 0 3 309.385 2.205 20 10 DECDHN C[C@H]1[C@H](NC(=O)NCCCSc2nccs2)CCN1C ZINC000921447744 648318789 /nfs/dbraw/zinc/31/87/89/648318789.db2.gz RJGRRIFVPZRPQW-WDEREUQCSA-N 0 3 314.480 2.017 20 10 DECDHN CCCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CCN(C)C1 ZINC000824020973 648513112 /nfs/dbraw/zinc/51/31/12/648513112.db2.gz DYBFVOWJWABGIX-AWEZNQCLSA-N 0 3 317.393 2.405 20 10 DECDHN CCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CCN(CC)C1 ZINC000824448055 648589704 /nfs/dbraw/zinc/58/97/04/648589704.db2.gz XPSOWRKEMVFXCD-CQSZACIVSA-N 0 3 317.393 2.405 20 10 DECDHN CC(=O)[C@@](C)(O)CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000827336180 649016838 /nfs/dbraw/zinc/01/68/38/649016838.db2.gz BONUAADEBSCAIZ-SFHVURJKSA-N 0 3 304.434 2.449 20 10 DECDHN CCN(CC)c1ccc(CNC(=O)[C@H](N)CC(F)F)cc1F ZINC000829038509 649263753 /nfs/dbraw/zinc/26/37/53/649263753.db2.gz JJXAGIAUERWWKH-GFCCVEGCSA-N 0 3 317.355 2.271 20 10 DECDHN COCCn1cc(CN[C@@H](C)c2cccc(OC)c2O)cn1 ZINC000846167157 651312496 /nfs/dbraw/zinc/31/24/96/651312496.db2.gz HDKVARBXBSJSHZ-LBPRGKRZSA-N 0 3 305.378 2.095 20 10 DECDHN CN(C)c1ccc(CN[C@@H]2Cc3ccccc3N(C)C2=O)cc1 ZINC000850353092 651907968 /nfs/dbraw/zinc/90/79/68/651907968.db2.gz SFDKACPECICRTA-QGZVFWFLSA-N 0 3 309.413 2.430 20 10 DECDHN CCn1cc(CNCc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000850406011 651921610 /nfs/dbraw/zinc/92/16/10/651921610.db2.gz OHQKKCCAPVDCSE-UHFFFAOYSA-N 0 3 314.433 2.154 20 10 DECDHN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cnn(C)c1 ZINC000850566751 651954096 /nfs/dbraw/zinc/95/40/96/651954096.db2.gz RYUIQHWBIBSOIL-AWEZNQCLSA-N 0 3 314.433 2.232 20 10 DECDHN CN(C)c1ccc(CNCc2ccc3oc(=O)n(C)c3c2)cc1 ZINC000858294922 652298400 /nfs/dbraw/zinc/29/84/00/652298400.db2.gz UEHNSJZHEJJHPO-UHFFFAOYSA-N 0 3 311.385 2.487 20 10 DECDHN COc1ccc(N2CCN(c3ccnc(CO)c3)CC2)cc1F ZINC000858441370 652337209 /nfs/dbraw/zinc/33/72/09/652337209.db2.gz PSNKRVRDCITUFJ-UHFFFAOYSA-N 0 3 317.364 2.048 20 10 DECDHN CCN(C)c1ccc(CN2CC[C@@H](N3CCOC3=O)C2)cc1 ZINC000852438205 652401682 /nfs/dbraw/zinc/40/16/82/652401682.db2.gz NRYSUJCGYRRECQ-MRXNPFEDSA-N 0 3 303.406 2.169 20 10 DECDHN CN(C)c1ccc(CN2CCC[C@@H](N3CCCC3=O)C2)cc1 ZINC000093277220 684048521 /nfs/dbraw/zinc/04/85/21/684048521.db2.gz CMLRSMCAKBDLRI-QGZVFWFLSA-N 0 3 301.434 2.339 20 10 DECDHN CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCc2c([O-])cccc2F)C1 ZINC000928705257 693830107 /nfs/dbraw/zinc/83/01/07/693830107.db2.gz FLFPXFLDYIKEOY-INIZCTEOSA-N 0 3 312.360 2.360 20 10 DECDHN CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCc2c([O-])cccc2F)C1 ZINC000928705257 693830111 /nfs/dbraw/zinc/83/01/11/693830111.db2.gz FLFPXFLDYIKEOY-INIZCTEOSA-N 0 3 312.360 2.360 20 10 DECDHN CCN(C)c1ccc([C@@H](C)NC2CN(c3ccncn3)C2)cc1 ZINC000866494060 687590591 /nfs/dbraw/zinc/59/05/91/687590591.db2.gz HODOLCFGLJYBHK-CQSZACIVSA-N 0 3 311.433 2.472 20 10 DECDHN CCN(C)c1ccc([C@H](C)NC2CN(c3ccncn3)C2)cc1 ZINC000866494059 687590680 /nfs/dbraw/zinc/59/06/80/687590680.db2.gz HODOLCFGLJYBHK-AWEZNQCLSA-N 0 3 311.433 2.472 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H]3CSC[C@H]3C1)[C@@H](O)CO2 ZINC000872721481 689074444 /nfs/dbraw/zinc/07/44/44/689074444.db2.gz JDPJRALDKJUNJM-HCKVZZMMSA-N 0 3 307.415 2.003 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H]3CSC[C@H]3C1)[C@@H](O)CO2 ZINC000872721481 689074448 /nfs/dbraw/zinc/07/44/48/689074448.db2.gz JDPJRALDKJUNJM-HCKVZZMMSA-N 0 3 307.415 2.003 20 10 DECDHN CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CCN(C2CC2)C1 ZINC000874457650 689418356 /nfs/dbraw/zinc/41/83/56/689418356.db2.gz QTLBTGCOZUPVPC-CQSZACIVSA-N 0 3 315.377 2.158 20 10 DECDHN CCCN1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876523514 689846190 /nfs/dbraw/zinc/84/61/90/689846190.db2.gz YMDCDSRSRTZUCJ-UHFFFAOYSA-N 0 3 317.477 2.175 20 10 DECDHN COC(=O)CC[N@@H+](Cc1ccc(C)cc1[O-])C[C@@H]1CCCO1 ZINC000876744098 689924935 /nfs/dbraw/zinc/92/49/35/689924935.db2.gz OOEJZGVGQHDERY-HNNXBMFYSA-N 0 3 307.390 2.245 20 10 DECDHN COC(=O)CC[N@H+](Cc1ccc(C)cc1[O-])C[C@@H]1CCCO1 ZINC000876744098 689924938 /nfs/dbraw/zinc/92/49/38/689924938.db2.gz OOEJZGVGQHDERY-HNNXBMFYSA-N 0 3 307.390 2.245 20 10 DECDHN COc1ccc(N2CC[C@H](NC(=O)[C@@H](N)CCC(C)C)C2)cc1 ZINC000876959779 689983341 /nfs/dbraw/zinc/98/33/41/689983341.db2.gz OZBLLFJNRQCBGI-YOEHRIQHSA-N 0 3 319.449 2.154 20 10 DECDHN Cc1ccc(C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)c([O-])c1 ZINC000877031307 690001877 /nfs/dbraw/zinc/00/18/77/690001877.db2.gz POLPJDCEUKQLJA-QGZVFWFLSA-N 0 3 304.434 2.434 20 10 DECDHN Cc1cccc([O-])c1C[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000877520437 690139364 /nfs/dbraw/zinc/13/93/64/690139364.db2.gz XBCXHMSEYFUPHN-UHFFFAOYSA-N 0 3 324.380 2.477 20 10 DECDHN CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C)cc2[O-])[C@H]1n1cccn1 ZINC000877555396 690150781 /nfs/dbraw/zinc/15/07/81/690150781.db2.gz WUQMAUCCLAADLJ-USXIJHARSA-N 0 3 301.390 2.405 20 10 DECDHN CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C)cc2[O-])[C@@H]1n1cccn1 ZINC000877555395 690150815 /nfs/dbraw/zinc/15/08/15/690150815.db2.gz WUQMAUCCLAADLJ-UAGQMJEPSA-N 0 3 301.390 2.405 20 10 DECDHN COc1ccc(N2CCN(CCCCCCO)CC2)c(OC)c1 ZINC000879462883 690646843 /nfs/dbraw/zinc/64/68/43/690646843.db2.gz VWMFFOAQLORVQC-UHFFFAOYSA-N 0 3 322.449 2.379 20 10 DECDHN C[C@H]([NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000879650254 690699055 /nfs/dbraw/zinc/69/90/55/690699055.db2.gz RVXXLNFUDWIWKX-QWHCGFSZSA-N 0 3 324.421 2.319 20 10 DECDHN C[C@H]([NH2+]CC(=O)NC(=O)NC1CCCCC1)c1ccccc1[O-] ZINC000879651393 690699423 /nfs/dbraw/zinc/69/94/23/690699423.db2.gz TYNNEUQRWQMNIF-LBPRGKRZSA-N 0 3 319.405 2.201 20 10 DECDHN C[C@@H](NC(=O)Nc1ccnn1CCN(C)C)c1ccccc1O ZINC000879673901 690704089 /nfs/dbraw/zinc/70/40/89/690704089.db2.gz RXZSROSFMMPGNY-GFCCVEGCSA-N 0 3 317.393 2.033 20 10 DECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)[C@H]2C)O1 ZINC000886341405 692061514 /nfs/dbraw/zinc/06/15/14/692061514.db2.gz UQXNNPTVPHTXPN-ZUMXRPEOSA-N 0 3 321.417 2.463 20 10 DECDHN C[C@@H]1[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CCN1C ZINC000925328134 693257874 /nfs/dbraw/zinc/25/78/74/693257874.db2.gz UXIMIKXSDFMSDM-MLGOLLRUSA-N 0 3 317.433 2.163 20 10 DECDHN C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CO ZINC001332697774 1149881458 /nfs/dbraw/zinc/88/14/58/1149881458.db2.gz MAVHSIXQJOOJQD-RHSMWYFYSA-N 0 3 301.386 2.309 20 10 DECDHN C[C@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@@H](O)CO ZINC001332697774 1149881460 /nfs/dbraw/zinc/88/14/60/1149881460.db2.gz MAVHSIXQJOOJQD-RHSMWYFYSA-N 0 3 301.386 2.309 20 10 DECDHN CCOC(=O)c1cc(CN[C@@H](C)c2cc(OC)ccc2O)[nH]n1 ZINC001349564039 1151261253 /nfs/dbraw/zinc/26/12/53/1151261253.db2.gz KDRFISMMKLOLIP-JTQLQIEISA-N 0 3 319.361 2.151 20 10 DECDHN CCOC(=O)N1CCC[C@H]([NH2+]Cc2ccc(O)cc2[O-])CC1 ZINC001169653679 785285230 /nfs/dbraw/zinc/28/52/30/785285230.db2.gz YUJCWSZHTMEZOE-ZDUSSCGKSA-N 0 3 308.378 2.198 20 10 DECDHN CCOC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(O)cc2[O-])CC1 ZINC001169653678 785286182 /nfs/dbraw/zinc/28/61/82/785286182.db2.gz YUJCWSZHTMEZOE-CYBMUJFWSA-N 0 3 308.378 2.198 20 10 DECDHN COc1cccc2c1C[C@@H]([NH2+]Cc1ccc(O)cc1[O-])CO2 ZINC001173152950 793609404 /nfs/dbraw/zinc/60/94/04/793609404.db2.gz LRGVRHFUWPNCRI-GFCCVEGCSA-N 0 3 301.342 2.200 20 10 DECDHN C[C@H]([NH2+]CCc1nnnn1-c1ccccc1)c1ccccc1[O-] ZINC001175419020 794204072 /nfs/dbraw/zinc/20/40/72/794204072.db2.gz RGUZEIMOEGJFCF-ZDUSSCGKSA-N 0 3 309.373 2.261 20 10 DECDHN COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC001116753257 794983856 /nfs/dbraw/zinc/98/38/56/794983856.db2.gz NVOJOLAQBSGSTM-NWDGAFQWSA-N 0 3 313.781 2.486 20 10 DECDHN CCOc1cccc(CN2CCN(CCCCOC)CC2)c1O ZINC001203617125 796256094 /nfs/dbraw/zinc/25/60/94/796256094.db2.gz ILNGSHUWIGBGBQ-UHFFFAOYSA-N 0 3 322.449 2.335 20 10 DECDHN COc1cc(CN2CCC(=O)[C@H](C)CC2)cc(CN(C)C)c1O ZINC001139255741 796349883 /nfs/dbraw/zinc/34/98/83/796349883.db2.gz RVVZWKIALHAVEE-CYBMUJFWSA-N 0 3 320.433 2.263 20 10 DECDHN CN1CCN(c2ccc(CN3CCc4ccncc4C3)cc2)CC1 ZINC001139409784 796371782 /nfs/dbraw/zinc/37/17/82/796371782.db2.gz SDGQQNJUKVXKML-UHFFFAOYSA-N 0 3 322.456 2.392 20 10 DECDHN Cc1c(O)ccc(CN2CCC(O)(C(F)(F)F)CC2)c1O ZINC001140742754 796565958 /nfs/dbraw/zinc/56/59/58/796565958.db2.gz XUWZUHINWZKQRS-UHFFFAOYSA-N 0 3 305.296 2.295 20 10 DECDHN Cc1ccc(C[N@@H+]2CC[C@@]3(CCN3c3ncccn3)C2)c([O-])c1 ZINC001140952305 796606377 /nfs/dbraw/zinc/60/63/77/796606377.db2.gz MGVQNFUBKNOZMW-GOSISDBHSA-N 0 3 310.401 2.345 20 10 DECDHN Cc1ccc(C[N@H+]2CC[C@@]3(CCN3c3ncccn3)C2)c([O-])c1 ZINC001140952305 796606380 /nfs/dbraw/zinc/60/63/80/796606380.db2.gz MGVQNFUBKNOZMW-GOSISDBHSA-N 0 3 310.401 2.345 20 10 DECDHN CC(C)(C)OC(=O)NCCC1CN(Cc2cc(O)ccc2O)C1 ZINC001141159391 796641918 /nfs/dbraw/zinc/64/19/18/796641918.db2.gz FWHYDLIXSPJODI-UHFFFAOYSA-N 0 3 322.405 2.444 20 10 DECDHN COC(=O)C1(O)CCN(Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143117199 796803503 /nfs/dbraw/zinc/80/35/03/796803503.db2.gz XBSYQKKHVLCTQW-UHFFFAOYSA-N 0 3 321.417 2.190 20 10 DECDHN Cc1c(CN2CCO[C@H](CN(C)C)C2)c2ccccc2n1C ZINC001138252459 799805247 /nfs/dbraw/zinc/80/52/47/799805247.db2.gz HXAOKQAHYMKVHV-OAHLLOKOSA-N 0 3 301.434 2.249 20 10 DECDHN CC(C)N(C)Cc1cnc2n1CCN(Cc1ccccc1O)C2 ZINC001203552938 800079643 /nfs/dbraw/zinc/07/96/43/800079643.db2.gz VUMBFELFXKGBGD-UHFFFAOYSA-N 0 3 314.433 2.445 20 10 DECDHN CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3[O-])C[C@@H]21 ZINC001203560837 800080069 /nfs/dbraw/zinc/08/00/69/800080069.db2.gz HJDUVUSURBDXDM-KBPBESRZSA-N 0 3 304.390 2.443 20 10 DECDHN CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3[O-])C[C@@H]21 ZINC001203560837 800080078 /nfs/dbraw/zinc/08/00/78/800080078.db2.gz HJDUVUSURBDXDM-KBPBESRZSA-N 0 3 304.390 2.443 20 10 DECDHN COc1ccc(C[NH+]2CCC(NC(=O)C(C)C)CC2)c([O-])c1 ZINC001203627493 800094224 /nfs/dbraw/zinc/09/42/24/800094224.db2.gz GZOUBGHLVPGMQZ-UHFFFAOYSA-N 0 3 306.406 2.137 20 10 DECDHN COc1cc(C)c(CN2CCCN(C(=O)C(C)C)CC2)c(O)c1 ZINC001204714076 800249444 /nfs/dbraw/zinc/24/94/44/800249444.db2.gz MFGUDLLRFJORNF-UHFFFAOYSA-N 0 3 320.433 2.400 20 10 DECDHN CC(C)(C)c1cc([O-])c(CN2CC[NH2+]C[C@H](O)C2)cc1Cl ZINC001210476101 801408829 /nfs/dbraw/zinc/40/88/29/801408829.db2.gz RMZAYOUKEZVHHG-LBPRGKRZSA-N 0 3 312.841 2.109 20 10 DECDHN COc1cc(CN2CCC(c3noc(C)n3)CC2)c(O)cc1O ZINC001231636571 801699928 /nfs/dbraw/zinc/69/99/28/801699928.db2.gz YIBPXOQWPRTDSZ-UHFFFAOYSA-N 0 3 319.361 2.177 20 10 DECDHN Oc1cc(CN2CC[C@H](N3CCCCC3)[C@@H](F)C2)cc(O)c1O ZINC001233018524 802004098 /nfs/dbraw/zinc/00/40/98/802004098.db2.gz XTKYRYCHASIXCK-KBPBESRZSA-N 0 3 324.396 2.202 20 10 DECDHN Oc1cc(O)c(CN2CCC(Oc3ccncc3)CC2)cc1O ZINC001233483291 802126850 /nfs/dbraw/zinc/12/68/50/802126850.db2.gz UPSLHRXEIZXRNQ-UHFFFAOYSA-N 0 3 316.357 2.242 20 10 DECDHN Cc1ccnn1C1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233487288 802128815 /nfs/dbraw/zinc/12/88/15/802128815.db2.gz XTINHCWQORZGAG-UHFFFAOYSA-N 0 3 303.362 2.145 20 10 DECDHN C[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C[C@@H]1O ZINC001233726274 802190899 /nfs/dbraw/zinc/19/08/99/802190899.db2.gz BOMTZSXPUMWPIR-KOLCDFICSA-N 0 3 305.296 2.494 20 10 DECDHN C[C@@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C[C@@H]1O ZINC001233726274 802190902 /nfs/dbraw/zinc/19/09/02/802190902.db2.gz BOMTZSXPUMWPIR-KOLCDFICSA-N 0 3 305.296 2.494 20 10 DECDHN Cc1cc(CN2CC3(C2)CNCCO3)c(C)n1-c1ccccc1 ZINC001222441820 802686490 /nfs/dbraw/zinc/68/64/90/802686490.db2.gz SBVXMUFPFNDITB-UHFFFAOYSA-N 0 3 311.429 2.268 20 10 DECDHN CCCN(CCC)c1ccc(CNCc2n[nH]c(CO)n2)cc1 ZINC001474306990 1060849008 /nfs/dbraw/zinc/84/90/08/1060849008.db2.gz XFXRPLZWTWQFLS-UHFFFAOYSA-N 0 3 317.437 2.213 20 10 DECDHN CN(C)[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001587215350 1076414424 /nfs/dbraw/zinc/41/44/24/1076414424.db2.gz SLHFWBRXKLRIIY-HNNXBMFYSA-N 0 3 314.385 2.059 20 10 DECDHN CN(C)c1ccc(/C=C/CN2CCC([C@@H](F)C(N)=O)CC2)cc1 ZINC001653047438 1079910643 /nfs/dbraw/zinc/91/06/43/1079910643.db2.gz FZVBDILSAISLMD-REMYHPOOSA-N 0 3 319.424 2.301 20 10 DECDHN COc1cc(C)c(C[NH+]2CCC([C@@H]3COC(=O)N3)CC2)c([O-])c1 ZINC001653180814 1079916046 /nfs/dbraw/zinc/91/60/46/1079916046.db2.gz DFUXYDWMZVRHCJ-HNNXBMFYSA-N 0 3 320.389 2.030 20 10 DECDHN CN(C)C(=O)[C@@H]1CCC[C@@]12CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001277192788 1083839839 /nfs/dbraw/zinc/83/98/39/1083839839.db2.gz TTYGBGFPVJJLIQ-YJBOKZPZSA-N 0 3 318.417 2.178 20 10 DECDHN CN(C)C(=O)[C@@H]1CCC[C@@]12CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001277192788 1083839843 /nfs/dbraw/zinc/83/98/43/1083839843.db2.gz TTYGBGFPVJJLIQ-YJBOKZPZSA-N 0 3 318.417 2.178 20 10 DECDHN CCN(C(=O)[C@H]1CC12CN(Cc1ccccc1O)C2)C(C)C ZINC001277441173 1083970946 /nfs/dbraw/zinc/97/09/46/1083970946.db2.gz IGXCNJBGMADQTK-OAHLLOKOSA-N 0 3 302.418 2.471 20 10 DECDHN Cc1ccc(C[N@@H+]2CC[C@]3(CCN(CC(F)F)C3=O)C2)c([O-])c1 ZINC001272765956 1083978334 /nfs/dbraw/zinc/97/83/34/1083978334.db2.gz LWLKAJMTDVXPQK-KRWDZBQOSA-N 0 3 324.371 2.390 20 10 DECDHN Cc1ccc(C[N@H+]2CC[C@]3(CCN(CC(F)F)C3=O)C2)c([O-])c1 ZINC001272765956 1083978344 /nfs/dbraw/zinc/97/83/44/1083978344.db2.gz LWLKAJMTDVXPQK-KRWDZBQOSA-N 0 3 324.371 2.390 20 10 DECDHN C=CC(=O)OC[C@@H](C)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234657947 1084190701 /nfs/dbraw/zinc/19/07/01/1084190701.db2.gz NQZXKENIBPYOSU-OAHLLOKOSA-N 0 3 318.417 2.325 20 10 DECDHN CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(O)cc1[O-] ZINC001272982446 1085779022 /nfs/dbraw/zinc/77/90/22/1085779022.db2.gz ISENVJUFXDSWIF-DAXOMENPSA-N 0 3 318.417 2.462 20 10 DECDHN CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(O)cc1[O-] ZINC001272982446 1085779028 /nfs/dbraw/zinc/77/90/28/1085779028.db2.gz ISENVJUFXDSWIF-DAXOMENPSA-N 0 3 318.417 2.462 20 10 DECDHN [O-]c1cccc(F)c1C[N@H+]1C[C@@H]2[C@H](C1)OCCN2C1CCCC1 ZINC001276359456 1089242542 /nfs/dbraw/zinc/24/25/42/1089242542.db2.gz IHIIIJZBECCZLH-AEFFLSMTSA-N 0 3 320.408 2.359 20 10 DECDHN [O-]c1cccc(F)c1C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C1CCCC1 ZINC001276359456 1089242553 /nfs/dbraw/zinc/24/25/53/1089242553.db2.gz IHIIIJZBECCZLH-AEFFLSMTSA-N 0 3 320.408 2.359 20 10 DECDHN Cc1ccc(C[N@H+]2CC[C@H]3CN(C(=O)NC(C)C)C[C@H]32)c([O-])c1 ZINC001276168632 1091627876 /nfs/dbraw/zinc/62/78/76/1091627876.db2.gz HCYNRTPMNYDCEE-GOEBONIOSA-N 0 3 317.433 2.325 20 10 DECDHN Cc1ccc(C[N@@H+]2CC[C@H]3CN(C(=O)NC(C)C)C[C@H]32)c([O-])c1 ZINC001276168632 1091627880 /nfs/dbraw/zinc/62/78/80/1091627880.db2.gz HCYNRTPMNYDCEE-GOEBONIOSA-N 0 3 317.433 2.325 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CCC[C@]3(CCCC(=O)N3)C2)c([O-])c1 ZINC001236808772 1138435248 /nfs/dbraw/zinc/43/52/48/1138435248.db2.gz BVVILHJEIBWYBE-GOSISDBHSA-N 0 3 318.417 2.344 20 10 DECDHN COc1cc(C)c(C[N@H+]2CCC[C@]3(CCCC(=O)N3)C2)c([O-])c1 ZINC001236808772 1138435252 /nfs/dbraw/zinc/43/52/52/1138435252.db2.gz BVVILHJEIBWYBE-GOSISDBHSA-N 0 3 318.417 2.344 20 10 DECDHN COC(=O)[C@H]1CCC[N@H+](Cc2c(C)cc(OC)cc2[O-])[C@H]1C ZINC001236810391 1138435887 /nfs/dbraw/zinc/43/58/87/1138435887.db2.gz FMKLKEJTRHAPAT-JSGCOSHPSA-N 0 3 307.390 2.483 20 10 DECDHN COC(=O)[C@H]1CCC[N@@H+](Cc2c(C)cc(OC)cc2[O-])[C@H]1C ZINC001236810391 1138435897 /nfs/dbraw/zinc/43/58/97/1138435897.db2.gz FMKLKEJTRHAPAT-JSGCOSHPSA-N 0 3 307.390 2.483 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CCC[C@@]3(CCC(=O)O3)C2)c([O-])c1 ZINC001236822060 1138439494 /nfs/dbraw/zinc/43/94/94/1138439494.db2.gz XPJWYUACVSIAFD-QGZVFWFLSA-N 0 3 305.374 2.381 20 10 DECDHN COc1cc(C)c(C[N@H+]2CCC[C@@]3(CCC(=O)O3)C2)c([O-])c1 ZINC001236822060 1138439503 /nfs/dbraw/zinc/43/95/03/1138439503.db2.gz XPJWYUACVSIAFD-QGZVFWFLSA-N 0 3 305.374 2.381 20 10 DECDHN Clc1cc(N2CCOCC2)ccc1CN1CCN2CC[C@H]2C1 ZINC001236930357 1138459520 /nfs/dbraw/zinc/45/95/20/1138459520.db2.gz MPEDKFJJLUUSIE-INIZCTEOSA-N 0 3 321.852 2.067 20 10 DECDHN C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237054278 1138490683 /nfs/dbraw/zinc/49/06/83/1138490683.db2.gz YGBCODCDJIAVAO-MWLCHTKSSA-N 0 3 305.296 2.288 20 10 DECDHN C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237054278 1138490687 /nfs/dbraw/zinc/49/06/87/1138490687.db2.gz YGBCODCDJIAVAO-MWLCHTKSSA-N 0 3 305.296 2.288 20 10 DECDHN COC[C@@H]1CN(Cc2c(C)cccc2O)Cc2cn(C)nc21 ZINC001237484847 1138652146 /nfs/dbraw/zinc/65/21/46/1138652146.db2.gz BIQXYZIWALSIET-AWEZNQCLSA-N 0 3 301.390 2.180 20 10 DECDHN CN(C)C(=O)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001278254690 1138860469 /nfs/dbraw/zinc/86/04/69/1138860469.db2.gz DMHIPEIZLMATEU-DRXBFXEBSA-N 0 3 306.381 2.078 20 10 DECDHN CN(C)C(=O)[C@H]1[C@H]2CC[C@@H]1C[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001278254690 1138860471 /nfs/dbraw/zinc/86/04/71/1138860471.db2.gz DMHIPEIZLMATEU-DRXBFXEBSA-N 0 3 306.381 2.078 20 10 DECDHN COC(=O)Cc1ccc(C[NH+]2CCC(C)(OC)CC2)c([O-])c1 ZINC001249172223 1141856441 /nfs/dbraw/zinc/85/64/41/1141856441.db2.gz JSYMALKSKHVEAU-UHFFFAOYSA-N 0 3 307.390 2.109 20 10 DECDHN COC(=O)Cc1ccc(C[NH+]2CCC(SC)CC2)c([O-])c1 ZINC001249201287 1141858820 /nfs/dbraw/zinc/85/88/20/1141858820.db2.gz MWKKSTDTGRRFIP-UHFFFAOYSA-N 0 3 309.431 2.435 20 10 DECDHN CCCCOC[C@@H](O)CN1CCCc2cc(O)c(O)cc2C1 ZINC001252514097 1142743637 /nfs/dbraw/zinc/74/36/37/1142743637.db2.gz BIQUTQYAQRFJMZ-HNNXBMFYSA-N 0 3 309.406 2.024 20 10 DECDHN CC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COCc1ccco1 ZINC001252640898 1142801417 /nfs/dbraw/zinc/80/14/17/1142801417.db2.gz XZFGTRWXORFJKY-HNNXBMFYSA-N 0 3 305.374 2.385 20 10 DECDHN CC[N@H+](Cc1ccccc1[O-])C[C@H](O)COCc1ccco1 ZINC001252640898 1142801418 /nfs/dbraw/zinc/80/14/18/1142801418.db2.gz XZFGTRWXORFJKY-HNNXBMFYSA-N 0 3 305.374 2.385 20 10 DECDHN CC(C)(C)OC(=O)[C@H](O)CNCc1ccc(N2CCCC2)cc1 ZINC001253699274 1142893589 /nfs/dbraw/zinc/89/35/89/1142893589.db2.gz JYWGAGVGWUXWAZ-MRXNPFEDSA-N 0 3 320.433 2.079 20 10 DECDHN C[C@@H]1CCCN(CCNC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000043862404 354227917 /nfs/dbraw/zinc/22/79/17/354227917.db2.gz FETRSYAPDGICQY-OAHLLOKOSA-N 0 3 318.465 2.284 20 10 DECDHN CCOc1cccc(CN2CCS[C@@H]3COCC[C@@H]32)c1O ZINC000091856009 193118091 /nfs/dbraw/zinc/11/80/91/193118091.db2.gz RQBYOMYYADUSMV-DZGCQCFKSA-N 0 3 309.431 2.497 20 10 DECDHN CCOc1cccc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c1[O-] ZINC000091856009 193118092 /nfs/dbraw/zinc/11/80/92/193118092.db2.gz RQBYOMYYADUSMV-DZGCQCFKSA-N 0 3 309.431 2.497 20 10 DECDHN CCOc1cccc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c1[O-] ZINC000091856009 193118094 /nfs/dbraw/zinc/11/80/94/193118094.db2.gz RQBYOMYYADUSMV-DZGCQCFKSA-N 0 3 309.431 2.497 20 10 DECDHN COc1cccc(CNC(=O)c2ccc(CN(C)C)cc2)c1O ZINC000105650776 194117924 /nfs/dbraw/zinc/11/79/24/194117924.db2.gz BLCAXQJXHIGAHE-UHFFFAOYSA-N 0 3 314.385 2.392 20 10 DECDHN [O-]c1cc2c(cc1C[NH+]1CCC([C@H]3CCOC3)CC1)OCO2 ZINC000368204259 285382050 /nfs/dbraw/zinc/38/20/50/285382050.db2.gz WKCVIPKTLJCXMW-ZDUSSCGKSA-N 0 3 305.374 2.369 20 10 DECDHN C[C@H](N[C@H](CO)c1cnn(C)c1)c1cc2c(cc1O)CCCC2 ZINC000273452788 130124379 /nfs/dbraw/zinc/12/43/79/130124379.db2.gz GHTFBEIRNKDRCS-YVEFUNNKSA-N 0 3 315.417 2.389 20 10 DECDHN Cc1cc(O)c(CN2CC[C@@H](NC(=O)NC3CC3)C2)cc1C ZINC000273656957 130149673 /nfs/dbraw/zinc/14/96/73/130149673.db2.gz VJIFZGJJHXDRRP-OAHLLOKOSA-N 0 3 303.406 2.045 20 10 DECDHN Cc1cc(O)c(CN2CC[C@H](NC(=O)NC3CC3)C2)cc1C ZINC000273656954 130150087 /nfs/dbraw/zinc/15/00/87/130150087.db2.gz VJIFZGJJHXDRRP-HNNXBMFYSA-N 0 3 303.406 2.045 20 10 DECDHN COC[C@H](O)C[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000275337377 130306258 /nfs/dbraw/zinc/30/62/58/130306258.db2.gz OAOJIJFDIGJHBU-MWLCHTKSSA-N 0 3 318.211 2.121 20 10 DECDHN Oc1cc2c(cc1CNCc1ccnc(OC(F)F)c1)OCO2 ZINC000284125261 131050921 /nfs/dbraw/zinc/05/09/21/131050921.db2.gz UCFCQRBDTWVPFM-UHFFFAOYSA-N 0 3 324.283 2.407 20 10 DECDHN CCCN(CCN1CCCC1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000287606866 131290360 /nfs/dbraw/zinc/29/03/60/131290360.db2.gz YOKFERQOKXVOBJ-SOFGYWHQSA-N 0 3 318.417 2.445 20 10 DECDHN CN(C)CCN1CCC([NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000113320167 401776151 /nfs/dbraw/zinc/77/61/51/401776151.db2.gz NEOCBFKGLUDOMD-UHFFFAOYSA-N 0 3 311.857 2.161 20 10 DECDHN CC1CCN(c2ccc(CNC(=O)NCCN(C)C)cc2)CC1 ZINC000133642842 401893274 /nfs/dbraw/zinc/89/32/74/401893274.db2.gz ZCZUMEZKECGAKC-UHFFFAOYSA-N 0 3 318.465 2.284 20 10 DECDHN Cc1cc(O)c(CN2CCN(C[C@H]3CCOC3)CC2)cc1C ZINC000093817590 402021097 /nfs/dbraw/zinc/02/10/97/402021097.db2.gz ZQPCRLRUEGPPRR-MRXNPFEDSA-N 0 3 304.434 2.163 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](c3cc[nH]n3)C1)OCO2 ZINC000121272172 402024814 /nfs/dbraw/zinc/02/48/14/402024814.db2.gz VTWOZWUXWKDXKR-NSHDSACASA-N 0 3 301.346 2.224 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](c3cc[nH]n3)C1)OCO2 ZINC000121272172 402024817 /nfs/dbraw/zinc/02/48/17/402024817.db2.gz VTWOZWUXWKDXKR-NSHDSACASA-N 0 3 301.346 2.224 20 10 DECDHN CCN1CCN(c2ccc(CN[C@@H](C)COC)cc2F)CC1 ZINC000155320304 402252414 /nfs/dbraw/zinc/25/24/14/402252414.db2.gz RDNBMRZNEHYABN-AWEZNQCLSA-N 0 3 309.429 2.092 20 10 DECDHN CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000185345877 402345667 /nfs/dbraw/zinc/34/56/67/402345667.db2.gz ODZIPFYXBRSKAE-HUUCEWRRSA-N 0 3 323.456 2.456 20 10 DECDHN COc1ccc(O)c([C@H](C)NCCS(=O)(=O)C(C)(C)C)c1 ZINC000186027754 402396945 /nfs/dbraw/zinc/39/69/45/402396945.db2.gz VPQBPSINVULHOL-NSHDSACASA-N 0 3 315.435 2.265 20 10 DECDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccccc1F ZINC000178857009 402547387 /nfs/dbraw/zinc/54/73/87/402547387.db2.gz DIFKICYWZLEAJF-AWEZNQCLSA-N 0 3 305.349 2.403 20 10 DECDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccccc1F ZINC000178857009 402547389 /nfs/dbraw/zinc/54/73/89/402547389.db2.gz DIFKICYWZLEAJF-AWEZNQCLSA-N 0 3 305.349 2.403 20 10 DECDHN Cc1cc(C(=O)N2CCN[C@H](C)[C@H]2C)c(C)n1-c1ccccn1 ZINC000262727636 402729853 /nfs/dbraw/zinc/72/98/53/402729853.db2.gz ATMOBQMQQBWXDD-ZIAGYGMSSA-N 0 3 312.417 2.312 20 10 DECDHN CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000193143323 402766793 /nfs/dbraw/zinc/76/67/93/402766793.db2.gz DVOORNRMGLJXMG-ZDUSSCGKSA-N 0 3 306.406 2.196 20 10 DECDHN CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000193143323 402766796 /nfs/dbraw/zinc/76/67/96/402766796.db2.gz DVOORNRMGLJXMG-ZDUSSCGKSA-N 0 3 306.406 2.196 20 10 DECDHN C[C@H](CNC(=O)NCc1ccccc1O)N1CCC(C)CC1 ZINC000263719148 402795066 /nfs/dbraw/zinc/79/50/66/402795066.db2.gz LIPHEZBQIOULNE-CQSZACIVSA-N 0 3 305.422 2.312 20 10 DECDHN COc1ccc(O)c(CN2CCC(NC(=O)C(C)C)CC2)c1 ZINC000271718566 402883007 /nfs/dbraw/zinc/88/30/07/402883007.db2.gz JIFWERSKAQJLPS-UHFFFAOYSA-N 0 3 306.406 2.137 20 10 DECDHN COc1ccc(O)c([C@H](C)NCc2ccc(C)n(C)c2=O)c1 ZINC000279469969 402946224 /nfs/dbraw/zinc/94/62/24/402946224.db2.gz JUNAHOCUWURKGZ-LBPRGKRZSA-N 0 3 302.374 2.259 20 10 DECDHN COc1cccc(CN2C[C@@]3(CCOC3)OC(C)(C)C2)c1O ZINC000280118375 402967520 /nfs/dbraw/zinc/96/75/20/402967520.db2.gz BLAVRWBSWSAAOA-QGZVFWFLSA-N 0 3 307.390 2.171 20 10 DECDHN COC[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000280884138 403046632 /nfs/dbraw/zinc/04/66/32/403046632.db2.gz DQXGPNDDUQGJDE-GXSJLCMTSA-N 0 3 318.211 2.121 20 10 DECDHN Cc1cc([O-])c(C[NH2+][C@H]2CCO[C@@H]2c2nccn2C)cc1C ZINC000275627671 403110694 /nfs/dbraw/zinc/11/06/94/403110694.db2.gz SBPQJLQADMVWGZ-HOCLYGCPSA-N 0 3 301.390 2.362 20 10 DECDHN CCN(C)c1ccc([C@H](C)NC[C@H]2CCS(=O)(=O)C2)cc1 ZINC000268786005 403113696 /nfs/dbraw/zinc/11/36/96/403113696.db2.gz ZSSQRIBRAPCTMQ-UONOGXRCSA-N 0 3 310.463 2.228 20 10 DECDHN CCCOc1ccc(C[NH2+]CC2(O)CC(OCC)C2)c([O-])c1 ZINC000277803461 403258649 /nfs/dbraw/zinc/25/86/49/403258649.db2.gz XVZYDHVELCHDAF-UHFFFAOYSA-N 0 3 309.406 2.201 20 10 DECDHN CC1(C2CC[NH+](Cc3cc4c(cc3[O-])OCO4)CC2)OCCO1 ZINC000271152915 403269713 /nfs/dbraw/zinc/26/97/13/403269713.db2.gz BNSUVYWYMOIXJA-UHFFFAOYSA-N 0 3 321.373 2.096 20 10 DECDHN COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000271162595 403271379 /nfs/dbraw/zinc/27/13/79/403271379.db2.gz YLDDEVZNFIPEGT-CABCVRRESA-N 0 3 320.433 2.064 20 10 DECDHN COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000271162595 403271382 /nfs/dbraw/zinc/27/13/82/403271382.db2.gz YLDDEVZNFIPEGT-CABCVRRESA-N 0 3 320.433 2.064 20 10 DECDHN CCC[C@@H](C)C(=O)NCC[NH2+]Cc1cc(OCC)ccc1[O-] ZINC000292749170 403376842 /nfs/dbraw/zinc/37/68/42/403376842.db2.gz RDCBSIWVNMXMET-CYBMUJFWSA-N 0 3 308.422 2.433 20 10 DECDHN Cc1cc(CN2CCC[C@@H]2C(=O)NC2CC2)ccc1N(C)C ZINC000292973348 403385414 /nfs/dbraw/zinc/38/54/14/403385414.db2.gz DPXPEZGZSGCHDN-QGZVFWFLSA-N 0 3 301.434 2.304 20 10 DECDHN COc1ccc(O)c(CN2CCC[C@H](OC(=O)N(C)C)C2)c1 ZINC000294853336 403736578 /nfs/dbraw/zinc/73/65/78/403736578.db2.gz SHKMXGYAFYMFBR-AWEZNQCLSA-N 0 3 308.378 2.063 20 10 DECDHN C[C@H](NC1CC1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000294978939 403738965 /nfs/dbraw/zinc/73/89/65/403738965.db2.gz GTROANAIMXDIRC-XJKSGUPXSA-N 0 3 318.417 2.040 20 10 DECDHN Cc1ccc([O-])c(C[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)c1 ZINC000295054391 403745128 /nfs/dbraw/zinc/74/51/28/403745128.db2.gz FZPSFNKPPNIXIW-CQSZACIVSA-N 0 3 324.421 2.018 20 10 DECDHN Cc1ccc([O-])c(C[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)c1 ZINC000295054391 403745134 /nfs/dbraw/zinc/74/51/34/403745134.db2.gz FZPSFNKPPNIXIW-CQSZACIVSA-N 0 3 324.421 2.018 20 10 DECDHN Cc1ccc(O)c(CN(C)C[C@H](O)CNC(=O)OC(C)(C)C)c1 ZINC000295054391 403745138 /nfs/dbraw/zinc/74/51/38/403745138.db2.gz FZPSFNKPPNIXIW-CQSZACIVSA-N 0 3 324.421 2.018 20 10 DECDHN COc1cccc(CN2CCCC[C@@H]2COC(=O)N(C)C)c1O ZINC000289821471 404000158 /nfs/dbraw/zinc/00/01/58/404000158.db2.gz TXVOTDXFLMUDAE-CQSZACIVSA-N 0 3 322.405 2.454 20 10 DECDHN COc1cc([O-])c(C[NH2+][C@@H](C2CC2)C(C)(C)CO)cc1OC ZINC000290774102 404307094 /nfs/dbraw/zinc/30/70/94/404307094.db2.gz CIPDWLSYKIVZSF-INIZCTEOSA-N 0 3 309.406 2.296 20 10 DECDHN COc1ccc(O)c(CN2CCC(NC(=O)C3CCC3)CC2)c1 ZINC000367714904 405132788 /nfs/dbraw/zinc/13/27/88/405132788.db2.gz BAMYZPCQMUSIJZ-UHFFFAOYSA-N 0 3 318.417 2.282 20 10 DECDHN OC[C@@]1(NCc2ccc3c(c2)CCO3)COc2ccccc2C1 ZINC000527767787 406743180 /nfs/dbraw/zinc/74/31/80/406743180.db2.gz AUZZMMGQQUAORF-LJQANCHMSA-N 0 3 311.381 2.077 20 10 DECDHN CC[C@@H](C(=O)N1CCCN(c2ccc(OC)cc2)CC1)N(C)C ZINC000124902945 286730446 /nfs/dbraw/zinc/73/04/46/286730446.db2.gz NOFJHLAKJYYMJX-KRWDZBQOSA-N 0 3 319.449 2.074 20 10 DECDHN CCOc1ccc([O-])c(C[NH+]2CCC(Cn3cncn3)CC2)c1 ZINC000189978831 225070037 /nfs/dbraw/zinc/07/00/37/225070037.db2.gz WZWYYOCIDUEYJT-UHFFFAOYSA-N 0 3 316.405 2.295 20 10 DECDHN Cc1cccc(C[NH2+][C@H](CO)C[C@H](O)c2ccccc2)c1[O-] ZINC000271876982 225417435 /nfs/dbraw/zinc/41/74/35/225417435.db2.gz ZPFRIXAQBGRKCS-IRXDYDNUSA-N 0 3 301.386 2.275 20 10 DECDHN C[C@@]1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CCO[C@@H]1C1CC1 ZINC000368765342 227017975 /nfs/dbraw/zinc/01/79/75/227017975.db2.gz NTYNHWKVFAJKPS-SJORKVTESA-N 0 3 305.374 2.416 20 10 DECDHN [O-]c1ccc(F)cc1C[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000371530729 227074485 /nfs/dbraw/zinc/07/44/85/227074485.db2.gz YXVFOSJTPFGWJO-UHFFFAOYSA-N 0 3 322.424 2.466 20 10 DECDHN COc1cccc(C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1[O-] ZINC000375299814 274145969 /nfs/dbraw/zinc/14/59/69/274145969.db2.gz OAOKGJSWKPGICV-IBGZPJMESA-N 0 3 324.380 2.497 20 10 DECDHN COc1cccc(C[N@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1[O-] ZINC000375299814 274145970 /nfs/dbraw/zinc/14/59/70/274145970.db2.gz OAOKGJSWKPGICV-IBGZPJMESA-N 0 3 324.380 2.497 20 10 DECDHN CC[C@@H](NCC1(S(C)(=O)=O)CC1)c1ccc(N(C)C)cc1 ZINC000281195245 280185580 /nfs/dbraw/zinc/18/55/80/280185580.db2.gz RNNRJSSCQFHJSF-OAHLLOKOSA-N 0 3 310.463 2.371 20 10 DECDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@]1(F)CCNC1 ZINC000361797011 336773085 /nfs/dbraw/zinc/77/30/85/336773085.db2.gz GSOGGPSBNGPYCA-GOSISDBHSA-N 0 3 319.424 2.337 20 10 DECDHN CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cc(OC)ccc1[O-])CC2 ZINC000180411319 520553909 /nfs/dbraw/zinc/55/39/09/520553909.db2.gz UEZDZKQQWOFPTH-SJORKVTESA-N 0 3 321.417 2.153 20 10 DECDHN CCOc1ccc([O-])c(C[NH+]2CCC(CC(=O)N(C)C)CC2)c1 ZINC000180326843 521143177 /nfs/dbraw/zinc/14/31/77/521143177.db2.gz SLJGQXXSBSCYJJ-UHFFFAOYSA-N 0 3 320.433 2.481 20 10 DECDHN CCOc1ccc(O)c(CN2CCC(CC(=O)N(C)C)CC2)c1 ZINC000180326843 521143186 /nfs/dbraw/zinc/14/31/86/521143186.db2.gz SLJGQXXSBSCYJJ-UHFFFAOYSA-N 0 3 320.433 2.481 20 10 DECDHN CN(C)c1ccc(CN(C(=O)[C@@H]2CCCN2C)C2CC2)cc1 ZINC000264973958 522164399 /nfs/dbraw/zinc/16/43/99/522164399.db2.gz HANSCJAUDKFKCH-KRWDZBQOSA-N 0 3 301.434 2.338 20 10 DECDHN CN(C)c1ccc(CNC(=O)[C@H](N)Cc2ccccc2)cc1F ZINC000237084664 522203561 /nfs/dbraw/zinc/20/35/61/522203561.db2.gz IPQQXKGBYSGCKG-MRXNPFEDSA-N 0 3 315.392 2.078 20 10 DECDHN COC(=O)[C@@H]1CC12CC[NH+](Cc1cccc(OC)c1[O-])CC2 ZINC000271178263 523670456 /nfs/dbraw/zinc/67/04/56/523670456.db2.gz KGCWHOBSVQLCMS-ZDUSSCGKSA-N 0 3 305.374 2.176 20 10 DECDHN O=C(c1ccco1)N1CCCN(Cc2ccccc2O)CC1 ZINC000378370659 534757400 /nfs/dbraw/zinc/75/74/00/534757400.db2.gz PCLNHPUBHBQISO-UHFFFAOYSA-N 0 3 300.358 2.333 20 10 DECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C(C)C)N2CCOCC2)c1 ZINC000184915505 524763480 /nfs/dbraw/zinc/76/34/80/524763480.db2.gz LTPPNSAZHZYAJD-RHSMWYFYSA-N 0 3 322.449 2.408 20 10 DECDHN Cc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c([O-])c1O ZINC000182257330 526106564 /nfs/dbraw/zinc/10/65/64/526106564.db2.gz HQSHIEHWFRAORL-ZDUSSCGKSA-N 0 3 304.390 2.107 20 10 DECDHN CC(C)N1C[C@H](NC/C=C\c2ccc(N(C)C)cc2)CC1=O ZINC000835039622 649870316 /nfs/dbraw/zinc/87/03/16/649870316.db2.gz HXIZABWGQFJSAW-OGZRUICASA-N 0 3 301.434 2.365 20 10 DECDHN CC(C)N1CC[C@@H](NC/C=C/c2ccc(N(C)C)cc2)C1=O ZINC000835040046 649870429 /nfs/dbraw/zinc/87/04/29/649870429.db2.gz MZAVGVOPSCWADV-FUTAKVPZSA-N 0 3 301.434 2.365 20 10 DECDHN CSC[C@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252902 623798559 /nfs/dbraw/zinc/79/85/59/623798559.db2.gz OMENPCIFLFILLW-BBRMVZONSA-N 0 3 323.506 2.471 20 10 DECDHN Cc1ncoc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252353 623799305 /nfs/dbraw/zinc/79/93/05/623799305.db2.gz JRDBIUNWNBUCIK-OAHLLOKOSA-N 0 3 316.405 2.082 20 10 DECDHN COC[C@@](C)(CC(=O)OC)NCc1ccc2c(c1)CCCO2 ZINC000893557994 634671576 /nfs/dbraw/zinc/67/15/76/634671576.db2.gz LFKHMYBZYDFMDY-QGZVFWFLSA-N 0 3 307.390 2.069 20 10 DECDHN COc1ccc(CN[C@H](CO)c2ccsc2)c(O)c1OC ZINC000893654907 635708945 /nfs/dbraw/zinc/70/89/45/635708945.db2.gz LKGUXEVYQRHKLY-GFCCVEGCSA-N 0 3 309.387 2.294 20 10 DECDHN COC(=O)c1c(CN(C)CC(C)(C)O)c2cc(F)ccc2n1C ZINC000894026062 636095425 /nfs/dbraw/zinc/09/54/25/636095425.db2.gz GSQPLPDSAMRYHZ-UHFFFAOYSA-N 0 3 322.380 2.307 20 10 DECDHN CCN1CCC[C@@H](NC/C=C\c2ccc(N(C)C)cc2)C1=O ZINC000922639329 636290711 /nfs/dbraw/zinc/29/07/11/636290711.db2.gz NNKSNVNNRVHGPL-XTKXOIQPSA-N 0 3 301.434 2.366 20 10 DECDHN CC[C@@H]([NH2+]Cc1cc(Br)cc(OC)c1[O-])[C@@H](C)O ZINC000824921780 637280940 /nfs/dbraw/zinc/28/09/40/637280940.db2.gz QWIINHIWYZFQAG-LDYMZIIASA-N 0 3 318.211 2.412 20 10 DECDHN NC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000895001416 637363237 /nfs/dbraw/zinc/36/32/37/637363237.db2.gz SAZUQFZXWONVPS-SFHVURJKSA-N 0 3 314.360 2.160 20 10 DECDHN NC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000895001416 637363240 /nfs/dbraw/zinc/36/32/40/637363240.db2.gz SAZUQFZXWONVPS-SFHVURJKSA-N 0 3 314.360 2.160 20 10 DECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F ZINC000895677837 638140094 /nfs/dbraw/zinc/14/00/94/638140094.db2.gz PKOFTZPIXPDHIG-VIFPVBQESA-N 0 3 303.202 2.179 20 10 DECDHN CC(C)Oc1ccc(N(C)C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000841024107 650407415 /nfs/dbraw/zinc/40/74/15/650407415.db2.gz QAGQLOGOVPPQSQ-OAHLLOKOSA-N 0 3 319.449 2.107 20 10 DECDHN [NH3+]CC[C@H](NCc1cc(Br)ccc1[O-])C(F)F ZINC000841075190 650423111 /nfs/dbraw/zinc/42/31/11/650423111.db2.gz XTYNCNYTWREVTQ-VIFPVBQESA-N 0 3 309.154 2.227 20 10 DECDHN COc1cccc([O-])c1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000753571412 639315526 /nfs/dbraw/zinc/31/55/26/639315526.db2.gz OAEZAJAFGPCXGM-CQSZACIVSA-N 0 3 321.417 2.418 20 10 DECDHN COc1cccc(C[N@H+](C)C2CCC(NC(C)=O)CC2)c1[O-] ZINC000753592424 639318424 /nfs/dbraw/zinc/31/84/24/639318424.db2.gz YDCUSKKLSBHPRO-UHFFFAOYSA-N 0 3 306.406 2.280 20 10 DECDHN COc1cccc(C[N@@H+](C)C2CCC(NC(C)=O)CC2)c1[O-] ZINC000753592424 639318428 /nfs/dbraw/zinc/31/84/28/639318428.db2.gz YDCUSKKLSBHPRO-UHFFFAOYSA-N 0 3 306.406 2.280 20 10 DECDHN C[C@H](CNCc1ccc(N2CCCCC2)cc1)S(C)(=O)=O ZINC000754085704 639384528 /nfs/dbraw/zinc/38/45/28/639384528.db2.gz OMZIUFWBTCUBQO-CQSZACIVSA-N 0 3 310.463 2.200 20 10 DECDHN C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cnn(C)c2)c2c1c(F)ccc2[O-] ZINC000756608433 639679072 /nfs/dbraw/zinc/67/90/72/639679072.db2.gz BMJHMLHMOWVIMU-LJWDBELGSA-N 0 3 305.353 2.136 20 10 DECDHN C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C2CCOCC2)c2c1c(F)ccc2[O-] ZINC000756735896 639691163 /nfs/dbraw/zinc/69/11/63/639691163.db2.gz CQDYMMROQLRGNQ-YVLXSGLVSA-N 0 3 309.381 2.457 20 10 DECDHN CCCN(Cc1ccccc1O)CC1(CS(C)(=O)=O)CC1 ZINC000767411002 640975668 /nfs/dbraw/zinc/97/56/68/640975668.db2.gz IGQPPPLTKZKKKW-UHFFFAOYSA-N 0 3 311.447 2.429 20 10 DECDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H]1CCN1C1CCOCC1)CC2 ZINC000927103798 641628990 /nfs/dbraw/zinc/62/89/90/641628990.db2.gz SQLDHDMKQIMSJY-CVEARBPZSA-N 0 3 302.418 2.222 20 10 DECDHN Cc1cc(Br)cc(C[NH2+]CCC[S@](C)=O)c1[O-] ZINC000776208656 642144044 /nfs/dbraw/zinc/14/40/44/642144044.db2.gz JAKWYBWUFRPYJQ-KRWDZBQOSA-N 0 3 320.252 2.321 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1C1CCOCC1)[C@H](O)CO2 ZINC000776771744 642206146 /nfs/dbraw/zinc/20/61/46/642206146.db2.gz JBJDVQWEWJKZOB-NVXWUHKLSA-N 0 3 319.401 2.209 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1C1CCOCC1)[C@H](O)CO2 ZINC000776771744 642206149 /nfs/dbraw/zinc/20/61/49/642206149.db2.gz JBJDVQWEWJKZOB-NVXWUHKLSA-N 0 3 319.401 2.209 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1)[C@@H](O)CO2 ZINC000842618589 650783728 /nfs/dbraw/zinc/78/37/28/650783728.db2.gz SUVMJXIECHFKNU-VMGRFDJRSA-N 0 3 319.401 2.209 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1)[C@@H](O)CO2 ZINC000842618589 650783730 /nfs/dbraw/zinc/78/37/30/650783730.db2.gz SUVMJXIECHFKNU-VMGRFDJRSA-N 0 3 319.401 2.209 20 10 DECDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3cc(=O)[n-]cn3)C2)c(O)c1 ZINC000903399440 643344146 /nfs/dbraw/zinc/34/41/46/643344146.db2.gz WJEQWIMVMTWJOB-STQMWFEESA-N 0 3 314.389 2.126 20 10 DECDHN CCn1cccc(CNCc2ccc(N(C)C)c(F)c2)c1=O ZINC000788524548 643620380 /nfs/dbraw/zinc/62/03/80/643620380.db2.gz RPHDNYGATAHDTC-UHFFFAOYSA-N 0 3 303.381 2.363 20 10 DECDHN COc1cc(C)cc(CN2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1O ZINC000790396405 643846841 /nfs/dbraw/zinc/84/68/41/643846841.db2.gz SFDSZVSFCGXKIE-DEYYWGMASA-N 0 3 321.417 2.478 20 10 DECDHN CCOc1ccc(C[NH2+]C[C@H]2CCCN(C(C)=O)C2)c([O-])c1 ZINC000793284893 644225229 /nfs/dbraw/zinc/22/52/29/644225229.db2.gz JEZBYCFYWWAHJC-CQSZACIVSA-N 0 3 306.406 2.139 20 10 DECDHN C[NH+]1CCC2(CC1)CN(Cc1c([O-])cccc1Cl)CCO2 ZINC000843432472 650974306 /nfs/dbraw/zinc/97/43/06/650974306.db2.gz XHMIFBHHPCWTCM-UHFFFAOYSA-N 0 3 310.825 2.342 20 10 DECDHN C[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1cc(F)ccc1[O-] ZINC000806173050 645806784 /nfs/dbraw/zinc/80/67/84/645806784.db2.gz DPGGUTTUMZIHBI-QWRGUYRKSA-N 0 3 301.383 2.007 20 10 DECDHN COc1ccc(N2CCC(NCc3n[nH]cc3C)CC2)cc1 ZINC000810142172 646331323 /nfs/dbraw/zinc/33/13/23/646331323.db2.gz UZCDTKZFNASTHX-UHFFFAOYSA-N 0 3 300.406 2.485 20 10 DECDHN C[C@@H]([NH2+]Cc1ccc(CC(N)=O)cc1)c1cc(F)ccc1[O-] ZINC000810243439 646343110 /nfs/dbraw/zinc/34/31/10/646343110.db2.gz OCPGGZIPQXUTTL-LLVKDONJSA-N 0 3 302.349 2.410 20 10 DECDHN CCOc1ccc(C[NH2+][C@@H](CC(N)=O)c2ccccc2)c([O-])c1 ZINC000815154186 646981187 /nfs/dbraw/zinc/98/11/87/646981187.db2.gz DDSSVHAYGRRTFT-INIZCTEOSA-N 0 3 314.385 2.497 20 10 DECDHN C[NH+](C)C1(CNC(=O)NCc2c([O-])cccc2F)CCCC1 ZINC000913874343 647079942 /nfs/dbraw/zinc/07/99/42/647079942.db2.gz FBPJWVKGGYXXEJ-UHFFFAOYSA-N 0 3 309.385 2.205 20 10 DECDHN Cc1cc(Br)cc(C[N@@H+](C)C2CC(O)C2)c1[O-] ZINC000761218308 647197779 /nfs/dbraw/zinc/19/77/79/647197779.db2.gz ABGCMAMLLVXORN-UHFFFAOYSA-N 0 3 300.196 2.418 20 10 DECDHN Cc1cc(Br)cc(C[N@H+](C)C2CC(O)C2)c1[O-] ZINC000761218308 647197782 /nfs/dbraw/zinc/19/77/82/647197782.db2.gz ABGCMAMLLVXORN-UHFFFAOYSA-N 0 3 300.196 2.418 20 10 DECDHN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCN(C)[C@H]2C)cc1 ZINC000914254925 647241062 /nfs/dbraw/zinc/24/10/62/647241062.db2.gz VGMLBIWLRMKQHO-YOEHRIQHSA-N 0 3 318.465 2.425 20 10 DECDHN C[C@H](NCC1C[NH2+]C1)c1cc(Br)cc(F)c1[O-] ZINC000817965784 647395886 /nfs/dbraw/zinc/39/58/86/647395886.db2.gz VDEGKTSWSXOASB-ZETCQYMHSA-N 0 3 303.175 2.164 20 10 DECDHN COc1cccc([O-])c1C[NH2+]CC(C)(C)N1CCC(OC)CC1 ZINC000730817295 647411887 /nfs/dbraw/zinc/41/18/87/647411887.db2.gz KUEJNWOILQZOLN-UHFFFAOYSA-N 0 3 322.449 2.380 20 10 DECDHN C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC000921330106 648289615 /nfs/dbraw/zinc/28/96/15/648289615.db2.gz CLKJEYKQGZBZOM-VXGBXAGGSA-N 0 3 309.385 2.203 20 10 DECDHN O=S1(=O)C[C@@H](C[NH2+]Cc2cc(F)ccc2[O-])c2ccccc21 ZINC000824514700 648600100 /nfs/dbraw/zinc/60/01/00/648600100.db2.gz BODYQGMVSZEHBK-GFCCVEGCSA-N 0 3 321.373 2.192 20 10 DECDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCCN2CCO)c1[O-] ZINC000824583424 648616763 /nfs/dbraw/zinc/61/67/63/648616763.db2.gz LIMDAIQKZWSBHI-HNNXBMFYSA-N 0 3 312.841 2.290 20 10 DECDHN [O-]c1cc2c(cc1C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1)OCO2 ZINC000824845134 648661063 /nfs/dbraw/zinc/66/10/63/648661063.db2.gz IFAOYOZOCUUERU-DYVFJYSZSA-N 0 3 305.374 2.008 20 10 DECDHN CC[C@H](CO)N1CCN(Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824882704 648666177 /nfs/dbraw/zinc/66/61/77/648666177.db2.gz BUVDYXBTZRPRCE-CQSZACIVSA-N 0 3 312.841 2.243 20 10 DECDHN Cn1nccc1[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])CCO1 ZINC000825045461 648691372 /nfs/dbraw/zinc/69/13/72/648691372.db2.gz FGEMYWXPZAFKGM-BBRMVZONSA-N 0 3 305.353 2.275 20 10 DECDHN COC[C@@H](CC1CCOCC1)[NH2+]Cc1ccc(OC)cc1[O-] ZINC000825752473 648808868 /nfs/dbraw/zinc/80/88/68/648808868.db2.gz BETLJBFINNQUCR-OAHLLOKOSA-N 0 3 309.406 2.322 20 10 DECDHN C/C(=C/C(=O)N1C[C@@H](N(C)C)Cc2ccccc21)c1cnccn1 ZINC000825805631 648813234 /nfs/dbraw/zinc/81/32/34/648813234.db2.gz KYBJFVSJSDLCQQ-DNXIFWLFSA-N 0 3 322.412 2.399 20 10 DECDHN CO[C@@]1(CO)CCCN(C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000826952860 648952313 /nfs/dbraw/zinc/95/23/13/648952313.db2.gz VJMDQVIEJRJLSW-SUZKBHRPSA-N 0 3 304.434 2.239 20 10 DECDHN CCOc1ccc(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)c([O-])c1 ZINC000827634078 649060047 /nfs/dbraw/zinc/06/00/47/649060047.db2.gz HRLYTYHINFJABO-AWEZNQCLSA-N 0 3 318.417 2.235 20 10 DECDHN CCOc1ccc(C[N@H+]2CC[C@H](CN3CCCC3=O)C2)c([O-])c1 ZINC000827634078 649060050 /nfs/dbraw/zinc/06/00/50/649060050.db2.gz HRLYTYHINFJABO-AWEZNQCLSA-N 0 3 318.417 2.235 20 10 DECDHN CCOc1ccc(C[NH+]2CCC(NC(=O)OC)CC2)c([O-])c1 ZINC000827933733 649107396 /nfs/dbraw/zinc/10/73/96/649107396.db2.gz DKLDZWZPGQAHRH-UHFFFAOYSA-N 0 3 308.378 2.111 20 10 DECDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCc3c(nnn3C)C2)c1[O-] ZINC000848926759 651564106 /nfs/dbraw/zinc/56/41/06/651564106.db2.gz YGBIHMAABRMYPT-LBPRGKRZSA-N 0 3 306.797 2.130 20 10 DECDHN CCc1ncc(CN[C@@H]2CCN(c3ccc(OC)cc3)C2)cn1 ZINC000850346107 651905091 /nfs/dbraw/zinc/90/50/91/651905091.db2.gz CLNZGDSIFOZDIH-OAHLLOKOSA-N 0 3 312.417 2.416 20 10 DECDHN COc1ccc(N2CC[C@H](N[C@@H](C)c3ccc(=O)[nH]n3)C2)cc1 ZINC000850488764 651937900 /nfs/dbraw/zinc/93/79/00/651937900.db2.gz OLOBSNHSTGXOKM-STQMWFEESA-N 0 3 314.389 2.120 20 10 DECDHN C[C@@H](N[C@@H](CO)c1ccnn1C)c1cc2c(cc1O)CCCC2 ZINC000858434778 652335852 /nfs/dbraw/zinc/33/58/52/652335852.db2.gz PEWSIDWQQVQQFH-WBMJQRKESA-N 0 3 315.417 2.389 20 10 DECDHN CCn1cc(CNCc2ccc(N3CCOCC3)cc2)cn1 ZINC000112097291 652670961 /nfs/dbraw/zinc/67/09/61/652670961.db2.gz LLLJQVIRPSLRAP-UHFFFAOYSA-N 0 3 300.406 2.029 20 10 DECDHN CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000858587170 685563125 /nfs/dbraw/zinc/56/31/25/685563125.db2.gz JFKFBUAURTVNDU-VHSXEESVSA-N 0 3 300.786 2.413 20 10 DECDHN COc1ccc(O)c([C@@H](C)N[C@H]2CCN(C3CCC3)C2=O)c1 ZINC000858602977 685566910 /nfs/dbraw/zinc/56/69/10/685566910.db2.gz OISDFZPOIKALBD-ABAIWWIYSA-N 0 3 304.390 2.205 20 10 DECDHN COc1cc(CN(C)[C@]2(CO)CCOC2)c(O)c(C(C)(C)C)c1 ZINC000862427722 686300377 /nfs/dbraw/zinc/30/03/77/686300377.db2.gz DONZCNYPLKXALR-SFHVURJKSA-N 0 3 323.433 2.282 20 10 DECDHN CCN(CC)c1ccc(CN2CC[C@@](OC)(C(=O)OC)C2)cc1 ZINC000862474613 686307018 /nfs/dbraw/zinc/30/70/18/686307018.db2.gz WHEXKEFLOSXTSU-SFHVURJKSA-N 0 3 320.433 2.297 20 10 DECDHN CCN(CC)c1ccc(CNC2CN(c3ccncn3)C2)cc1 ZINC000865749349 687321782 /nfs/dbraw/zinc/32/17/82/687321782.db2.gz QVOUVILBOUULGO-UHFFFAOYSA-N 0 3 311.433 2.301 20 10 DECDHN COc1cc(CN(C)[C@@H]2CCCCN(C)C2=O)c(O)cc1C ZINC000872676864 689063343 /nfs/dbraw/zinc/06/33/43/689063343.db2.gz YLQMKWXPCQAONM-CQSZACIVSA-N 0 3 306.406 2.152 20 10 DECDHN COc1ccc(CNCc2cc(C)[nH]n2)cc1Cn1cccn1 ZINC000873057572 689149742 /nfs/dbraw/zinc/14/97/42/689149742.db2.gz USJRUCOWMAXLPD-UHFFFAOYSA-N 0 3 311.389 2.261 20 10 DECDHN CO[C@]1(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CCOC1 ZINC000876531653 689849242 /nfs/dbraw/zinc/84/92/42/689849242.db2.gz LJPDGERTBSKXGI-WMZOPIPTSA-N 0 3 321.417 2.179 20 10 DECDHN CO[C@]1(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CCOC1 ZINC000876531653 689849247 /nfs/dbraw/zinc/84/92/47/689849247.db2.gz LJPDGERTBSKXGI-WMZOPIPTSA-N 0 3 321.417 2.179 20 10 DECDHN CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1c(C)cccc1[O-])CC2 ZINC000876763859 689929168 /nfs/dbraw/zinc/92/91/68/689929168.db2.gz MFLLYRWTGZJXAR-DLBZAZTESA-N 0 3 305.418 2.453 20 10 DECDHN Cc1ccc(C[N@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)c([O-])c1 ZINC000876810319 689943859 /nfs/dbraw/zinc/94/38/59/689943859.db2.gz RLUATJPWDFOAHM-DOTOQJQBSA-N 0 3 315.417 2.380 20 10 DECDHN Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)c([O-])c1 ZINC000876810319 689943862 /nfs/dbraw/zinc/94/38/62/689943862.db2.gz RLUATJPWDFOAHM-DOTOQJQBSA-N 0 3 315.417 2.380 20 10 DECDHN Cc1ccc(C[NH2+]CCNC(=O)Cc2cccc(F)c2)c([O-])c1 ZINC000876873296 689960117 /nfs/dbraw/zinc/96/01/17/689960117.db2.gz BJWIJVPCWCGRDY-UHFFFAOYSA-N 0 3 316.376 2.288 20 10 DECDHN Cn1nc(C(=O)OC(C)(C)C)cc1CNCc1ccccc1O ZINC000876996472 689993123 /nfs/dbraw/zinc/99/31/23/689993123.db2.gz VJEDRZIIQAKLAY-UHFFFAOYSA-N 0 3 317.389 2.371 20 10 DECDHN COC(=O)c1cc(CNCc2ccc3c(c2)CCO3)[nH]c1C ZINC000876996656 689993220 /nfs/dbraw/zinc/99/32/20/689993220.db2.gz XYOXKTVOILHJKP-UHFFFAOYSA-N 0 3 300.358 2.334 20 10 DECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000877571014 690155001 /nfs/dbraw/zinc/15/50/01/690155001.db2.gz QHRDTSDQMWBQFA-CXAGYDPISA-N 0 3 301.390 2.444 20 10 DECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC000877675872 690186782 /nfs/dbraw/zinc/18/67/82/690186782.db2.gz VFLYZSOYZZVDHU-LLVKDONJSA-N 0 3 304.247 2.016 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1[O-] ZINC000877693872 690194311 /nfs/dbraw/zinc/19/43/11/690194311.db2.gz SWXBGKMJDMMAKT-KGFZYKRKSA-N 0 3 313.703 2.456 20 10 DECDHN COc1cc(Cl)cc(CN[C@@H](C)[C@H](O)C(F)(F)F)c1O ZINC000877693872 690194314 /nfs/dbraw/zinc/19/43/14/690194314.db2.gz SWXBGKMJDMMAKT-KGFZYKRKSA-N 0 3 313.703 2.456 20 10 DECDHN CCN(C)c1ccc(CN2CCC[C@H]3CCNC(=O)[C@H]32)cc1 ZINC000880523504 690918169 /nfs/dbraw/zinc/91/81/69/690918169.db2.gz IIFHTQXQQAOUAK-RDJZCZTQSA-N 0 3 301.434 2.243 20 10 DECDHN CN(C)c1ccc(/C=C\CN[C@H]2CC(=O)N(CC3CC3)C2)cc1 ZINC000883402834 691498940 /nfs/dbraw/zinc/49/89/40/691498940.db2.gz BPNPQYVDPQNCDX-LIMHQNJXSA-N 0 3 313.445 2.366 20 10 DECDHN Nc1ccc(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC001346151144 1150945755 /nfs/dbraw/zinc/94/57/55/1150945755.db2.gz SLKLPZAGYLHBHF-GOSISDBHSA-N 0 3 324.428 2.343 20 10 DECDHN O=C(NCc1c([O-])cccc1F)[C@@H]1[NH2+]CC[C@H]2CCCC[C@@H]21 ZINC001358167280 1152367910 /nfs/dbraw/zinc/36/79/10/1152367910.db2.gz GANJRFOQOAZVRW-BFQNTYOBSA-N 0 3 306.381 2.316 20 10 DECDHN CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1cccc(O)c1[O-] ZINC001347862488 1151103082 /nfs/dbraw/zinc/10/30/82/1151103082.db2.gz XTPVRKNGZLPUTI-ZDUSSCGKSA-N 0 3 306.406 2.338 20 10 DECDHN [O-]c1cccc(Br)c1CN1CC[NH+]2CCC1CC2 ZINC000722814670 776843006 /nfs/dbraw/zinc/84/30/06/776843006.db2.gz UVDZIJOVLWNNEL-UHFFFAOYSA-N 0 3 311.223 2.435 20 10 DECDHN [O-]c1c(O)cccc1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC001173661765 793798766 /nfs/dbraw/zinc/79/87/66/793798766.db2.gz UQVVKYYXFDDQST-UHFFFAOYSA-N 0 3 304.312 2.214 20 10 DECDHN CCOc1ccc(N2CCN(C(=O)CN(C)C(C)C)CC2)cc1 ZINC001116350747 794951587 /nfs/dbraw/zinc/95/15/87/794951587.db2.gz MEJKGFBQWSMBKO-UHFFFAOYSA-N 0 3 319.449 2.074 20 10 DECDHN COc1cc(C)c(C[NH2+][C@H]2CCN(CC(F)F)C2)c([O-])c1 ZINC001182433878 795676358 /nfs/dbraw/zinc/67/63/58/795676358.db2.gz LDBBBJQUVCHTQI-NSHDSACASA-N 0 3 300.349 2.138 20 10 DECDHN COc1cc(CN2CC[C@@H](COCC3CC3)C2)cc(O)c1O ZINC001204346722 795706384 /nfs/dbraw/zinc/70/63/84/795706384.db2.gz XAKPUDOXZLJCPZ-CYBMUJFWSA-N 0 3 307.390 2.355 20 10 DECDHN CCOC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001140063585 796472352 /nfs/dbraw/zinc/47/23/52/796472352.db2.gz SZDVTXYSCFDFMA-NVXWUHKLSA-N 0 3 323.364 2.075 20 10 DECDHN CCOC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001140063585 796472357 /nfs/dbraw/zinc/47/23/57/796472357.db2.gz SZDVTXYSCFDFMA-NVXWUHKLSA-N 0 3 323.364 2.075 20 10 DECDHN Cc1cc(N2CCN(Cc3c(C)ccc(C)c3O)CC2)ncn1 ZINC001140185154 796487550 /nfs/dbraw/zinc/48/75/50/796487550.db2.gz QGRPOHVLONKPCK-UHFFFAOYSA-N 0 3 312.417 2.430 20 10 DECDHN CCN(Cc1ccc(N2CCN(CC)CC2)cc1)C1COC1 ZINC001140304057 796504130 /nfs/dbraw/zinc/50/41/30/796504130.db2.gz GPPKMZWHVMYOSO-UHFFFAOYSA-N 0 3 303.450 2.049 20 10 DECDHN CCN1CCN(c2ccc(CN(C3CC3)C3COC3)cc2)CC1 ZINC001140306577 796505166 /nfs/dbraw/zinc/50/51/66/796505166.db2.gz UJORNBFBFMKQPX-UHFFFAOYSA-N 0 3 315.461 2.192 20 10 DECDHN COc1cccc(N2CCN(Cc3cc(C)ccc3O)CC2)n1 ZINC001140622661 796547168 /nfs/dbraw/zinc/54/71/68/796547168.db2.gz CPLWWSZGRSVVOY-UHFFFAOYSA-N 0 3 313.401 2.426 20 10 DECDHN C[C@@H]1CC[C@H](O)CN1Cc1ccc(N2CCOCC2)cc1F ZINC001140659956 796551564 /nfs/dbraw/zinc/55/15/64/796551564.db2.gz AOAFTJZNVYQMTR-CJNGLKHVSA-N 0 3 308.397 2.008 20 10 DECDHN C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2F)CC[C@]1(C)O ZINC001140660599 796552111 /nfs/dbraw/zinc/55/21/11/796552111.db2.gz XNEKBFFHPCMPTM-KSSFIOAISA-N 0 3 322.424 2.255 20 10 DECDHN Cc1ccc(CN2CCN(c3cc(C)nc(C)n3)CC2)c(O)c1 ZINC001140950021 796606582 /nfs/dbraw/zinc/60/65/82/796606582.db2.gz QYCJMZPOQUWXJB-UHFFFAOYSA-N 0 3 312.417 2.430 20 10 DECDHN COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141028280 796620365 /nfs/dbraw/zinc/62/03/65/796620365.db2.gz JFCMGNHNORHCSG-NEPJUHHUSA-N 0 3 323.389 2.183 20 10 DECDHN COC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141028280 796620366 /nfs/dbraw/zinc/62/03/66/796620366.db2.gz JFCMGNHNORHCSG-NEPJUHHUSA-N 0 3 323.389 2.183 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c(OC)c1 ZINC001141031518 796621173 /nfs/dbraw/zinc/62/11/73/796621173.db2.gz HGUXVENYTSIDNK-MLGOLLRUSA-N 0 3 307.390 2.410 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c(OC)c1 ZINC001141031518 796621176 /nfs/dbraw/zinc/62/11/76/796621176.db2.gz HGUXVENYTSIDNK-MLGOLLRUSA-N 0 3 307.390 2.410 20 10 DECDHN CC(C)(C)OC(=O)N[C@@H]1[C@H]2CN(Cc3cc(O)ccc3O)C[C@H]21 ZINC001141157023 796642216 /nfs/dbraw/zinc/64/22/16/796642216.db2.gz APURVIABWHRSIM-NHAGDIPZSA-N 0 3 320.389 2.053 20 10 DECDHN CCc1ncnc2c1CC[N@H+](Cc1ccc(OC)cc1[O-])CC2 ZINC001203623842 800092427 /nfs/dbraw/zinc/09/24/27/800092427.db2.gz XFROTTZWSCUNAG-UHFFFAOYSA-N 0 3 313.401 2.354 20 10 DECDHN CCc1ncnc2c1CC[N@@H+](Cc1ccc(OC)cc1[O-])CC2 ZINC001203623842 800092440 /nfs/dbraw/zinc/09/24/40/800092440.db2.gz XFROTTZWSCUNAG-UHFFFAOYSA-N 0 3 313.401 2.354 20 10 DECDHN O=C1[C@H]2CN(Cc3ccc(O)c(O)c3)C[C@H]2CN1c1ccccc1 ZINC001203877883 800138245 /nfs/dbraw/zinc/13/82/45/800138245.db2.gz YLTDWDKYTAXANJ-HOCLYGCPSA-N 0 3 324.380 2.193 20 10 DECDHN COC[C@@]12CCCO[C@@H]1CCN(Cc1ccc(O)c(O)c1)C2 ZINC001203877306 800138837 /nfs/dbraw/zinc/13/88/37/800138837.db2.gz PKHVMADVGKHFRS-SJORKVTESA-N 0 3 307.390 2.115 20 10 DECDHN CN(C)c1ccc(CN2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)cc1 ZINC001203933783 800147938 /nfs/dbraw/zinc/14/79/38/800147938.db2.gz QMRYUIWWQFXISY-KDURUIRLSA-N 0 3 315.461 2.048 20 10 DECDHN C[C@@H]1CCN(Cc2ccc(O)cc2O)C[C@@]1(O)C(F)(F)F ZINC001204277339 800199497 /nfs/dbraw/zinc/19/94/97/800199497.db2.gz ZXLRTZZGUNEWOG-RNCFNFMXSA-N 0 3 305.296 2.233 20 10 DECDHN CN(CC1CN(Cc2ccc(O)cc2O)C1)C(=O)OC(C)(C)C ZINC001204276965 800199674 /nfs/dbraw/zinc/19/96/74/800199674.db2.gz USORPJBWXFTQJR-UHFFFAOYSA-N 0 3 322.405 2.397 20 10 DECDHN Cc1cccc(O[C@@H]2CC[N@H+](Cc3ccc(O)cc3[O-])C2)n1 ZINC001204282500 800200114 /nfs/dbraw/zinc/20/01/14/800200114.db2.gz RFIWBZSKZSXIHO-OAHLLOKOSA-N 0 3 300.358 2.455 20 10 DECDHN Cc1cccc(O[C@@H]2CC[N@@H+](Cc3ccc(O)cc3[O-])C2)n1 ZINC001204282500 800200117 /nfs/dbraw/zinc/20/01/17/800200117.db2.gz RFIWBZSKZSXIHO-OAHLLOKOSA-N 0 3 300.358 2.455 20 10 DECDHN [NH3+]CC1CCN(Cc2c([O-])cc(Br)cc2F)CC1 ZINC001205047534 800290768 /nfs/dbraw/zinc/29/07/68/800290768.db2.gz YFBCCPFUEPFEKP-UHFFFAOYSA-N 0 3 317.202 2.465 20 10 DECDHN C[C@@]1(CO)CC[N@H+](Cc2c([O-])ccc3ccccc32)C[C@H]1O ZINC001231587192 801690842 /nfs/dbraw/zinc/69/08/42/801690842.db2.gz QVAKSSURISHGMY-MSOLQXFVSA-N 0 3 301.386 2.111 20 10 DECDHN C[C@@]1(CO)CC[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@H]1O ZINC001231587192 801690843 /nfs/dbraw/zinc/69/08/43/801690843.db2.gz QVAKSSURISHGMY-MSOLQXFVSA-N 0 3 301.386 2.111 20 10 DECDHN COC(=O)[C@H]1C[C@@H](C)CN(Cc2ccc(N(C)C)cc2OC)C1 ZINC001231854020 801737498 /nfs/dbraw/zinc/73/74/98/801737498.db2.gz VXFGHKSOZCAYTL-HIFRSBDPSA-N 0 3 320.433 2.392 20 10 DECDHN OC[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232198122 801815267 /nfs/dbraw/zinc/81/52/67/801815267.db2.gz IRDKYOTVZVQCDB-HNNXBMFYSA-N 0 3 324.852 2.381 20 10 DECDHN CC[NH+]1C[C@@H]2CN(Cc3cc(Cl)c(OC)cc3[O-])C[C@H]2C1 ZINC001232271258 801835664 /nfs/dbraw/zinc/83/56/64/801835664.db2.gz TWJWYTIYBVSOIK-CHWSQXEVSA-N 0 3 310.825 2.438 20 10 DECDHN COC(=O)c1c(CN2CCC[C@@H](CO)C2)c2ccccc2n1C ZINC001232401538 801871307 /nfs/dbraw/zinc/87/13/07/801871307.db2.gz MURXPFOLFKSCOG-CYBMUJFWSA-N 0 3 316.401 2.169 20 10 DECDHN COc1cc(Cl)cc(CN2CC[C@@H](O)[C@H](F)CC2)c1O ZINC001233287998 802065340 /nfs/dbraw/zinc/06/53/40/802065340.db2.gz QUYZTIBSXFDZGL-VXGBXAGGSA-N 0 3 303.761 2.349 20 10 DECDHN O=C1c2cccc([O-])c2C(=O)c2c(OC3CC[NH2+]CC3)cccc21 ZINC001217964118 802124478 /nfs/dbraw/zinc/12/44/78/802124478.db2.gz IILZEPMZYFQAMC-UHFFFAOYSA-N 0 3 323.348 2.298 20 10 DECDHN O=C1c2ccccc2C(=O)c2cc(O[C@H]3CNC[C@@H]3F)ccc21 ZINC001218016417 802133099 /nfs/dbraw/zinc/13/30/99/802133099.db2.gz FLTIIRHKLWXCIT-HOTGVXAUSA-N 0 3 311.312 2.151 20 10 DECDHN COc1c(C)c(OC2CNC2)cc2c1C(=O)c1ccccc1C2=O ZINC001218053053 802137665 /nfs/dbraw/zinc/13/76/65/802137665.db2.gz RZRZUZDNLMYGHQ-UHFFFAOYSA-N 0 3 323.348 2.130 20 10 DECDHN COc1ccc2c(c1O[C@H]1CN[C@H]1C)C(=O)c1ccccc1C2=O ZINC001218387542 802176448 /nfs/dbraw/zinc/17/64/48/802176448.db2.gz QECDPNVZMYEUFY-BONVTDFDSA-N 0 3 323.348 2.210 20 10 DECDHN CCC(C)(C)C(=O)NC[C@H](CO)NCc1ccc(OC)c(C)c1 ZINC001331775303 1149670495 /nfs/dbraw/zinc/67/04/95/1149670495.db2.gz QXBSYLTXHUEGNG-OAHLLOKOSA-N 0 3 322.449 2.007 20 10 DECDHN CCCNC(=O)[C@H]1CCC[N@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001621114453 1078169719 /nfs/dbraw/zinc/16/97/19/1078169719.db2.gz KLMRSUKYKNPDBB-AWEZNQCLSA-N 0 3 320.433 2.447 20 10 DECDHN CCCNC(=O)[C@H]1CCC[N@@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001621114453 1078169721 /nfs/dbraw/zinc/16/97/21/1078169721.db2.gz KLMRSUKYKNPDBB-AWEZNQCLSA-N 0 3 320.433 2.447 20 10 DECDHN CCCNC(=O)[C@@H]1CCC[N@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001621114454 1078170259 /nfs/dbraw/zinc/17/02/59/1078170259.db2.gz KLMRSUKYKNPDBB-CQSZACIVSA-N 0 3 320.433 2.447 20 10 DECDHN CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001621114454 1078170260 /nfs/dbraw/zinc/17/02/60/1078170260.db2.gz KLMRSUKYKNPDBB-CQSZACIVSA-N 0 3 320.433 2.447 20 10 DECDHN COc1cc(C)c(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)c([O-])c1 ZINC001621448408 1078174999 /nfs/dbraw/zinc/17/49/99/1078174999.db2.gz WMTFQJHYRKIDFL-OAHLLOKOSA-N 0 3 320.433 2.052 20 10 DECDHN CC[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@H](CC)CN1 ZINC001573717704 1069077410 /nfs/dbraw/zinc/07/74/10/1069077410.db2.gz HAPJPLOAAQVHHJ-JFDUVMPXSA-N 0 3 304.390 2.100 20 10 DECDHN COc1ccc(CNC2(CNC(=O)C(C)(F)F)CC2)cc1C ZINC001483711615 1078842934 /nfs/dbraw/zinc/84/29/34/1078842934.db2.gz FNCOLOYBYOYCLL-UHFFFAOYSA-N 0 3 312.360 2.397 20 10 DECDHN COc1ccc(N2CC[C@@H](CNC(=O)[C@H](N)C(C)(C)C)C2)cc1 ZINC001574035404 1069146779 /nfs/dbraw/zinc/14/67/79/1069146779.db2.gz QWNMCVHNCKVHMD-BBRMVZONSA-N 0 3 319.449 2.011 20 10 DECDHN Cc1cc([O-])c(CN2CCC[C@@H]3[NH2+]C[C@@H]32)cc1Br ZINC001235303265 1079011582 /nfs/dbraw/zinc/01/15/82/1079011582.db2.gz KLPLICQRGIMRPQ-STQMWFEESA-N 0 3 311.223 2.399 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)CCCCCO)N(C)C)cc1 ZINC001648477928 1074999514 /nfs/dbraw/zinc/99/95/14/1074999514.db2.gz KDAITXUGHLXHJJ-QGZVFWFLSA-N 0 3 321.465 2.024 20 10 DECDHN COc1cc(C)c(CN2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c(O)c1 ZINC001652362097 1079872808 /nfs/dbraw/zinc/87/28/08/1079872808.db2.gz XOGRPVUHKIIMQW-PMUMKWKESA-N 0 3 321.417 2.478 20 10 DECDHN COc1cc(C)c(C[NH2+][C@@H](CO)Cc2ccccc2)c([O-])c1 ZINC001659536133 1080243599 /nfs/dbraw/zinc/24/35/99/1080243599.db2.gz BOBOODDQBIWUAY-OAHLLOKOSA-N 0 3 301.386 2.402 20 10 DECDHN Cn1ccnc1[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])CCO1 ZINC001664979461 1080980241 /nfs/dbraw/zinc/98/02/41/1080980241.db2.gz WQHOJTGWKMHEEP-ZFWWWQNUSA-N 0 3 305.353 2.275 20 10 DECDHN Cc1ccc(C)n1-c1ccc(CN2C[C@H]3CNC[C@@H](C2)O3)cc1 ZINC001235337187 1084396503 /nfs/dbraw/zinc/39/65/03/1084396503.db2.gz HBXSWZIOXGHYLZ-KDURUIRLSA-N 0 3 311.429 2.267 20 10 DECDHN C[N@H+]1C[C@H]2CN(Cc3c([O-])cccc3Br)C[C@H]2C1 ZINC000707128670 1086660642 /nfs/dbraw/zinc/66/06/42/1086660642.db2.gz ZNWPDTYGIJWDAW-PHIMTYICSA-N 0 3 311.223 2.148 20 10 DECDHN C[N@@H+]1C[C@H]2CN(Cc3c([O-])cccc3Br)C[C@H]2C1 ZINC000707128670 1086660644 /nfs/dbraw/zinc/66/06/44/1086660644.db2.gz ZNWPDTYGIJWDAW-PHIMTYICSA-N 0 3 311.223 2.148 20 10 DECDHN [O-]c1cccc(F)c1C[N@@H+]1C[C@@H]2OCCN(C3CCCC3)[C@H]2C1 ZINC001276359457 1089242034 /nfs/dbraw/zinc/24/20/34/1089242034.db2.gz IHIIIJZBECCZLH-WMZOPIPTSA-N 0 3 320.408 2.359 20 10 DECDHN [O-]c1cccc(F)c1C[N@H+]1C[C@@H]2OCCN(C3CCCC3)[C@H]2C1 ZINC001276359457 1089242045 /nfs/dbraw/zinc/24/20/45/1089242045.db2.gz IHIIIJZBECCZLH-WMZOPIPTSA-N 0 3 320.408 2.359 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CCC[C@H](C(=O)N(C)C)C2)c([O-])c1 ZINC001236812907 1138437465 /nfs/dbraw/zinc/43/74/65/1138437465.db2.gz HEJFQKOUJBRVIM-ZDUSSCGKSA-N 0 3 306.406 2.009 20 10 DECDHN COc1cc(C)c(C[N@H+]2CCC[C@H](C(=O)N(C)C)C2)c([O-])c1 ZINC001236812907 1138437466 /nfs/dbraw/zinc/43/74/66/1138437466.db2.gz HEJFQKOUJBRVIM-ZDUSSCGKSA-N 0 3 306.406 2.009 20 10 DECDHN CCOc1ccc(C[N@H+](CCOC)C2CCN(C)CC2)c([O-])c1 ZINC001237041924 1138486797 /nfs/dbraw/zinc/48/67/97/1138486797.db2.gz QKBKKDWBCWULRU-UHFFFAOYSA-N 0 3 322.449 2.334 20 10 DECDHN CCOc1ccc(C[N@@H+](CCOC)C2CCN(C)CC2)c([O-])c1 ZINC001237041924 1138486804 /nfs/dbraw/zinc/48/68/04/1138486804.db2.gz QKBKKDWBCWULRU-UHFFFAOYSA-N 0 3 322.449 2.334 20 10 DECDHN CNC(=O)CC[N@H+](C)Cc1cc(Br)c(C)cc1[O-] ZINC001237677793 1138752479 /nfs/dbraw/zinc/75/24/79/1138752479.db2.gz DRPYNXMUXRIKSL-UHFFFAOYSA-N 0 3 315.211 2.031 20 10 DECDHN CNC(=O)CC[N@@H+](C)Cc1cc(Br)c(C)cc1[O-] ZINC001237677793 1138752496 /nfs/dbraw/zinc/75/24/96/1138752496.db2.gz DRPYNXMUXRIKSL-UHFFFAOYSA-N 0 3 315.211 2.031 20 10 DECDHN Cc1cc(F)cc(CN2CC[C@H](Oc3ncc(F)cn3)C2)c1O ZINC001238067387 1138819578 /nfs/dbraw/zinc/81/95/78/1138819578.db2.gz SWYCKTYMFCNVRN-AWEZNQCLSA-N 0 3 321.327 2.422 20 10 DECDHN C[C@H]1C[C@@H]([NH2+]CCN2CCC(CO)CC2)c2c1c(F)ccc2[O-] ZINC001320244094 1140840888 /nfs/dbraw/zinc/84/08/88/1140840888.db2.gz AIBCXBFTGXBIAW-SWLSCSKDSA-N 0 3 322.424 2.374 20 10 DECDHN COc1ccc(CNC/C=C/CNC(=O)[C@@H]2C[C@H]2C)cc1C ZINC001320952238 1141004247 /nfs/dbraw/zinc/00/42/47/1141004247.db2.gz JTMPAMZOYXQTSQ-LVQRLBQTSA-N 0 3 302.418 2.422 20 10 DECDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)c([O-])c1 ZINC001249178802 1141857357 /nfs/dbraw/zinc/85/73/57/1141857357.db2.gz VXUMLBHJOFMMQZ-RHSMWYFYSA-N 0 3 319.401 2.109 20 10 DECDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)c([O-])c1 ZINC001249178802 1141857358 /nfs/dbraw/zinc/85/73/58/1141857358.db2.gz VXUMLBHJOFMMQZ-RHSMWYFYSA-N 0 3 319.401 2.109 20 10 DECDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCOC3)c([O-])c1 ZINC001249207289 1141859641 /nfs/dbraw/zinc/85/96/41/1141859641.db2.gz ANJNSAOEXCKTIQ-SFHVURJKSA-N 0 3 319.401 2.110 20 10 DECDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCOC3)c([O-])c1 ZINC001249207289 1141859644 /nfs/dbraw/zinc/85/96/44/1141859644.db2.gz ANJNSAOEXCKTIQ-SFHVURJKSA-N 0 3 319.401 2.110 20 10 DECDHN [O-]c1cccc2c1C[N@H+](C[C@H](O)COc1ccc(F)cc1)CC2 ZINC001251931054 1142549724 /nfs/dbraw/zinc/54/97/24/1142549724.db2.gz UFFHBJZCHPFUFL-HNNXBMFYSA-N 0 3 317.360 2.329 20 10 DECDHN [O-]c1cccc2c1C[N@@H+](C[C@H](O)COc1ccc(F)cc1)CC2 ZINC001251931054 1142549734 /nfs/dbraw/zinc/54/97/34/1142549734.db2.gz UFFHBJZCHPFUFL-HNNXBMFYSA-N 0 3 317.360 2.329 20 10 DECDHN COc1ccc(CNCc2cnn3ccccc23)c(O)c1OC ZINC001308758719 1147484854 /nfs/dbraw/zinc/48/48/54/1147484854.db2.gz VDLCGFDWZSTGIS-UHFFFAOYSA-N 0 3 313.357 2.347 20 10 DECDHN C[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C(=O)NCC(F)(F)F ZINC001326624167 1148167136 /nfs/dbraw/zinc/16/71/36/1148167136.db2.gz YMQWRFLPZLYJRT-PSASIEDQSA-N 0 3 302.296 2.036 20 10 DECDHN CN(C)CCN(C)CCC[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000290009622 282092294 /nfs/dbraw/zinc/09/22/94/282092294.db2.gz DMTYGYZSEINMAD-UHFFFAOYSA-N 0 3 313.873 2.361 20 10 DECDHN CN(C)CCN(C)CCC[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000290009622 282092298 /nfs/dbraw/zinc/09/22/98/282092298.db2.gz DMTYGYZSEINMAD-UHFFFAOYSA-N 0 3 313.873 2.361 20 10 DECDHN CN1CCN(C)[C@@H](CNCc2ccc(N3CCCCC3)cc2)C1 ZINC000264791405 530070339 /nfs/dbraw/zinc/07/03/39/530070339.db2.gz XFULVDKARHPDEK-IBGZPJMESA-N 0 3 316.493 2.012 20 10 DECDHN C[C@H](NCC(=O)NCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000160543459 299275909 /nfs/dbraw/zinc/27/59/09/299275909.db2.gz AORQJJLXNZNEJF-JTQLQIEISA-N 0 3 303.328 2.082 20 10 DECDHN C[C@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)N(C)C1CC1 ZINC000105269167 194091378 /nfs/dbraw/zinc/09/13/78/194091378.db2.gz XSDZUMIOCNIPNU-CQSZACIVSA-N 0 3 318.465 2.377 20 10 DECDHN CCCOc1ccc(C[N@H+](CCO)C2CCOCC2)c([O-])c1 ZINC000275800548 130388642 /nfs/dbraw/zinc/38/86/42/130388642.db2.gz CMSMYJHGNJHRIB-UHFFFAOYSA-N 0 3 309.406 2.154 20 10 DECDHN CCCOc1ccc(C[N@@H+](CCO)C2CCOCC2)c([O-])c1 ZINC000275800548 130388645 /nfs/dbraw/zinc/38/86/45/130388645.db2.gz CMSMYJHGNJHRIB-UHFFFAOYSA-N 0 3 309.406 2.154 20 10 DECDHN C[C@H](NC[C@H]1CCCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000284181584 131056934 /nfs/dbraw/zinc/05/69/34/131056934.db2.gz RGYJYSZPPWVRBV-UONOGXRCSA-N 0 3 310.463 2.228 20 10 DECDHN Cc1cc([O-])c(C[N@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)cc1C ZINC000284973540 131127315 /nfs/dbraw/zinc/12/73/15/131127315.db2.gz BGLOMUCCJWTZLW-RDJZCZTQSA-N 0 3 304.434 2.304 20 10 DECDHN Cc1cc([O-])c(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)cc1C ZINC000284973540 131127317 /nfs/dbraw/zinc/12/73/17/131127317.db2.gz BGLOMUCCJWTZLW-RDJZCZTQSA-N 0 3 304.434 2.304 20 10 DECDHN CC[C@@H](COC)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000155314002 402252127 /nfs/dbraw/zinc/25/21/27/402252127.db2.gz KLWYNYLWRAURAS-INIZCTEOSA-N 0 3 323.456 2.482 20 10 DECDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)CN2CCN(C)CC2)c1 ZINC000185343746 402345176 /nfs/dbraw/zinc/34/51/76/402345176.db2.gz MFQBAEASVFBYTR-CVEARBPZSA-N 0 3 305.466 2.235 20 10 DECDHN COc1cccc(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c1[O-] ZINC000237214255 402399861 /nfs/dbraw/zinc/39/98/61/402399861.db2.gz WQTRLWSVLDUDDX-LLVKDONJSA-N 0 3 318.339 2.375 20 10 DECDHN CCCOc1ccc(CN2CCN(C[C@H](C)O)[C@@H](C)C2)c(O)c1 ZINC000245699967 402480461 /nfs/dbraw/zinc/48/04/61/402480461.db2.gz CWHLQFMQHFXNSS-GJZGRUSLSA-N 0 3 322.449 2.068 20 10 DECDHN CCN(CC)c1ccc(CNC(=O)[C@@H](N)CCSC)cc1 ZINC000178711466 402529143 /nfs/dbraw/zinc/52/91/43/402529143.db2.gz BAQFENDSJALJRM-HNNXBMFYSA-N 0 3 309.479 2.229 20 10 DECDHN COc1cccc(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c1[O-] ZINC000263688900 402791522 /nfs/dbraw/zinc/79/15/22/402791522.db2.gz OIPQPEZIJXTZAP-CQSZACIVSA-N 0 3 319.376 2.481 20 10 DECDHN CN1CC=C(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000271854482 402884662 /nfs/dbraw/zinc/88/46/62/402884662.db2.gz UKQIOHOQRDZHGJ-UHFFFAOYSA-N 0 3 311.769 2.305 20 10 DECDHN CC[C@@H]([NH2+]CCS(=O)(=O)NC(C)C)c1ccc(C)cc1[O-] ZINC000280115268 402967375 /nfs/dbraw/zinc/96/73/75/402967375.db2.gz NUYSXOWJFBALRS-CQSZACIVSA-N 0 3 314.451 2.069 20 10 DECDHN CCCC[N@H+](CCN1C(=O)CCC1=O)Cc1ccccc1[O-] ZINC000282363403 403146548 /nfs/dbraw/zinc/14/65/48/403146548.db2.gz DLXKGCUTHVLCNH-UHFFFAOYSA-N 0 3 304.390 2.143 20 10 DECDHN CCCC[N@@H+](CCN1C(=O)CCC1=O)Cc1ccccc1[O-] ZINC000282363403 403146549 /nfs/dbraw/zinc/14/65/49/403146549.db2.gz DLXKGCUTHVLCNH-UHFFFAOYSA-N 0 3 304.390 2.143 20 10 DECDHN CCCCN(CC(=O)NC[C@H]1CCCO1)Cc1ccccc1O ZINC000282479760 403155672 /nfs/dbraw/zinc/15/56/72/403155672.db2.gz OSRMCMBPJJKJNU-MRXNPFEDSA-N 0 3 320.433 2.290 20 10 DECDHN COc1ccc(N2CCN(CCCn3ccnc3C)CC2)cc1 ZINC000270666736 403210799 /nfs/dbraw/zinc/21/07/99/403210799.db2.gz RJVFVOYBQYWWRM-UHFFFAOYSA-N 0 3 314.433 2.412 20 10 DECDHN CCN(Cc1ccccc1)c1ccc(CNC[C@@H](O)CO)cc1 ZINC000276766101 403193402 /nfs/dbraw/zinc/19/34/02/403193402.db2.gz NTAAIAVTRBNOCO-LJQANCHMSA-N 0 3 314.429 2.156 20 10 DECDHN C[C@H](c1ccccc1)[C@@H](NCc1ccc(N(C)C)cc1)C(N)=O ZINC000292270992 403340696 /nfs/dbraw/zinc/34/06/96/403340696.db2.gz SFWURZRNXRSEEQ-RDTXWAMCSA-N 0 3 311.429 2.500 20 10 DECDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](C)N2CCN(C)CC2)c([O-])c1 ZINC000293635018 403524600 /nfs/dbraw/zinc/52/46/00/403524600.db2.gz HTIOVIKEDSEXCT-CVEARBPZSA-N 0 3 305.466 2.296 20 10 DECDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COCCOC ZINC000295295480 403837916 /nfs/dbraw/zinc/83/79/16/403837916.db2.gz JQXIRPCXNNSUQR-MRXNPFEDSA-N 0 3 311.422 2.018 20 10 DECDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)COCCOC ZINC000295295480 403837920 /nfs/dbraw/zinc/83/79/20/403837920.db2.gz JQXIRPCXNNSUQR-MRXNPFEDSA-N 0 3 311.422 2.018 20 10 DECDHN CCOc1cccc(CN2CCC3(CCOC3=O)CC2)c1O ZINC000359867905 404807305 /nfs/dbraw/zinc/80/73/05/404807305.db2.gz HDAYVZBWFMBKMC-UHFFFAOYSA-N 0 3 305.374 2.320 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCc3c[nH]nc3C2)c1[O-] ZINC000359961433 404810858 /nfs/dbraw/zinc/81/08/58/404810858.db2.gz SEXNZTWFUYURQT-LBPRGKRZSA-N 0 3 307.781 2.424 20 10 DECDHN CN(C)CCNC(=O)c1ccc(NCc2ccccc2O)cc1 ZINC000527762294 406743119 /nfs/dbraw/zinc/74/31/19/406743119.db2.gz IBVLECFPIYGJNY-UHFFFAOYSA-N 0 3 313.401 2.296 20 10 DECDHN COCCCOC1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000266043542 225335005 /nfs/dbraw/zinc/33/50/05/225335005.db2.gz BKMCXRLZFNEAEJ-UHFFFAOYSA-N 0 3 323.389 2.138 20 10 DECDHN COC1CCN(c2ccc(CN3CCC[C@H](O)C3)cc2)CC1 ZINC000296574291 226010143 /nfs/dbraw/zinc/01/01/43/226010143.db2.gz QQSOTAFLEZPTTP-KRWDZBQOSA-N 0 3 304.434 2.259 20 10 DECDHN Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@H](C)NC[C@H]1C ZINC000418105561 229223099 /nfs/dbraw/zinc/22/30/99/229223099.db2.gz ZWNHBELQFAEEHN-QWHCGFSZSA-N 0 3 314.433 2.379 20 10 DECDHN C[C@@H]([NH2+][C@@H](C)CCN1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000186605607 278362719 /nfs/dbraw/zinc/36/27/19/278362719.db2.gz YPFXRFNXLQZLCT-UONOGXRCSA-N 0 3 309.429 2.208 20 10 DECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)[C@@H](C)N2CCOCC2)c1 ZINC000185375918 295167424 /nfs/dbraw/zinc/16/74/24/295167424.db2.gz WZSJOYQJPVCBEL-BFHYXJOUSA-N 0 3 308.422 2.161 20 10 DECDHN COc1ccc(N2CCCN(CCOCC(F)F)CC2)cc1 ZINC000188848281 534003885 /nfs/dbraw/zinc/00/38/85/534003885.db2.gz JLZMGRVDCGRGJD-UHFFFAOYSA-N 0 3 314.376 2.489 20 10 DECDHN CC(C)[C@@H](C(=O)NCc1ccc(O)c(O)c1)N1CCCCC1 ZINC000182540115 519789319 /nfs/dbraw/zinc/78/93/19/519789319.db2.gz LFNJEBAMRPRJSR-INIZCTEOSA-N 0 3 306.406 2.225 20 10 DECDHN CN(C)C[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000128072756 521882012 /nfs/dbraw/zinc/88/20/12/521882012.db2.gz SCXQXLZSJPKQAO-IBGZPJMESA-N 0 3 317.477 2.439 20 10 DECDHN CN1CCC(C(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000156341558 523751554 /nfs/dbraw/zinc/75/15/54/523751554.db2.gz XKSHOZVDNDTPRN-UHFFFAOYSA-N 0 3 302.418 2.229 20 10 DECDHN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000157549950 524893769 /nfs/dbraw/zinc/89/37/69/524893769.db2.gz ZXCPKFMKZSKMBH-FQUUOJAGSA-N 0 3 320.433 2.406 20 10 DECDHN C[C@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccc(F)c(F)c1[O-] ZINC000191215945 525405405 /nfs/dbraw/zinc/40/54/05/525405405.db2.gz HRJSESHVOSUKRJ-RYUDHWBXSA-N 0 3 314.376 2.168 20 10 DECDHN C[C@H](O)CN1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000189852447 525771631 /nfs/dbraw/zinc/77/16/31/525771631.db2.gz NZQXUKZRVBLYME-KRWDZBQOSA-N 0 3 317.477 2.175 20 10 DECDHN C[C@@](O)(C[NH2+]Cc1cc2c(cc1[O-])OCO2)c1ccsc1 ZINC000124113971 525774420 /nfs/dbraw/zinc/77/44/20/525774420.db2.gz MRVRTQVVYQQCQS-OAHLLOKOSA-N 0 3 307.371 2.180 20 10 DECDHN CCN(C)C(=O)[C@H](C)NCc1cc(Cl)cc(OC)c1O ZINC000188486513 527782010 /nfs/dbraw/zinc/78/20/10/527782010.db2.gz MIKAPQHQWGBIDU-VIFPVBQESA-N 0 3 300.786 2.011 20 10 DECDHN COc1ccc(C[C@@H](CO)C[NH2+]Cc2ccccc2[O-])cc1O ZINC000289381304 536508417 /nfs/dbraw/zinc/50/84/17/536508417.db2.gz CLOKKAQQEDJHHU-CQSZACIVSA-N 0 3 317.385 2.047 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)C2=COCCC2)N(C)C)cc1 ZINC000891251043 623797126 /nfs/dbraw/zinc/79/71/26/623797126.db2.gz CJCQLNIZULKKTE-QGZVFWFLSA-N 0 3 317.433 2.166 20 10 DECDHN CCCCOCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252691 623798672 /nfs/dbraw/zinc/79/86/72/623798672.db2.gz MKXUPNRPHXBCSH-QGZVFWFLSA-N 0 3 321.465 2.288 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)CC(F)(F)F)N(C)C)cc1 ZINC000891255695 623804626 /nfs/dbraw/zinc/80/46/26/623804626.db2.gz RFOOQXBEAWXBCG-ZDUSSCGKSA-N 0 3 317.355 2.424 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)c2ccncc2)N(C)C)cc1 ZINC000891258697 623808618 /nfs/dbraw/zinc/80/86/18/623808618.db2.gz ZPDULRBOVYKQTQ-KRWDZBQOSA-N 0 3 312.417 2.180 20 10 DECDHN O=C(/C=C/c1ccc(O)c(O)c1)N1CCN(C2CCCC2)CC1 ZINC000180632654 625192312 /nfs/dbraw/zinc/19/23/12/625192312.db2.gz HHFHGAYVUGBOTI-SOFGYWHQSA-N 0 3 316.401 2.198 20 10 DECDHN Cc1cc(N(C)C)ccc1CN1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000840941020 634963020 /nfs/dbraw/zinc/96/30/20/634963020.db2.gz NBYVDFCDONXPTQ-YJBOKZPZSA-N 0 3 304.434 2.441 20 10 DECDHN Cn1nc(C2CC2)cc1CNCc1cc2c(cc1O)OCO2 ZINC000922948736 636879011 /nfs/dbraw/zinc/87/90/11/636879011.db2.gz UMSKNBNBFPMABP-UHFFFAOYSA-N 0 3 301.346 2.022 20 10 DECDHN CCOc1ccc(C[NH2+]C[C@H]2CCN2C2CCOCC2)c([O-])c1 ZINC000922950757 636880232 /nfs/dbraw/zinc/88/02/32/636880232.db2.gz PIHSUFVBXUHWMS-MRXNPFEDSA-N 0 3 320.433 2.134 20 10 DECDHN COc1cc(C)cc(CN[C@H](CC(N)=O)c2ccccc2)c1O ZINC000894863820 637271888 /nfs/dbraw/zinc/27/18/88/637271888.db2.gz VRCHXAHWIIXVFZ-OAHLLOKOSA-N 0 3 314.385 2.416 20 10 DECDHN CC[C@H](C[NH2+]Cc1cc(Cl)cc(OC)c1[O-])C(=O)OC ZINC000895127967 637624836 /nfs/dbraw/zinc/62/48/36/637624836.db2.gz OBFNKJWXJJTBRM-SECBINFHSA-N 0 3 301.770 2.343 20 10 DECDHN Cc1cc(N(C)C)ccc1CN[C@@H]1C[C@H]2CCCCN2C1=O ZINC000840953330 650394034 /nfs/dbraw/zinc/39/40/34/650394034.db2.gz QCZLKOMKADUFER-IAGOWNOFSA-N 0 3 301.434 2.304 20 10 DECDHN COc1ccc(O)c(CN2CC[C@](CO)(C(F)(F)F)C2)c1 ZINC000895835166 638225750 /nfs/dbraw/zinc/22/57/50/638225750.db2.gz ADJBJEBHIKIRHA-ZDUSSCGKSA-N 0 3 305.296 2.148 20 10 DECDHN CCOCc1cc(CN[C@H]2CNCCC2(F)F)ccc1OC ZINC000841075626 650423268 /nfs/dbraw/zinc/42/32/68/650423268.db2.gz TUUKKLKLORZGPG-HNNXBMFYSA-N 0 3 314.376 2.319 20 10 DECDHN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CNCCCO1 ZINC000841085965 650426948 /nfs/dbraw/zinc/42/69/48/650426948.db2.gz JYDVHBMJZGBVNX-LLVKDONJSA-N 0 3 305.205 2.167 20 10 DECDHN CC(C)(C)[C@@H](C[NH3+])NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841086703 650426980 /nfs/dbraw/zinc/42/69/80/650426980.db2.gz DMWITYDKGQPCAQ-LLVKDONJSA-N 0 3 301.774 2.417 20 10 DECDHN CCOc1ccc(C[NH+]2CCC3(CCNC(=O)O3)CC2)c([O-])c1 ZINC000897019498 639129196 /nfs/dbraw/zinc/12/91/96/639129196.db2.gz SUKONIFEICUMCB-UHFFFAOYSA-N 0 3 320.389 2.255 20 10 DECDHN CCOc1ccc(C[NH2+]CCCN2CCCO[C@@H](C)C2)c([O-])c1 ZINC000762484811 640431750 /nfs/dbraw/zinc/43/17/50/640431750.db2.gz WJGDMSNNLCITHS-HNNXBMFYSA-N 0 3 322.449 2.381 20 10 DECDHN C[N@@H+]1CCCC[C@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC000897561234 640801556 /nfs/dbraw/zinc/80/15/56/640801556.db2.gz AGNFPEAAOUGOKM-GFCCVEGCSA-N 0 3 309.385 2.062 20 10 DECDHN C[N@H+]1CCCC[C@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC000897561234 640801561 /nfs/dbraw/zinc/80/15/61/640801561.db2.gz AGNFPEAAOUGOKM-GFCCVEGCSA-N 0 3 309.385 2.062 20 10 DECDHN CN(C)c1cc(F)c(CN2C[C@@H]3CCC[C@]3(C(N)=O)C2)cc1F ZINC000897624166 640874346 /nfs/dbraw/zinc/87/43/46/640874346.db2.gz WLSLREMDGHMVIH-SJCJKPOMSA-N 0 3 323.387 2.118 20 10 DECDHN CCOc1ccc(CN2CCN(C[C@H]3CCCO3)CC2)c(O)c1 ZINC000768193244 641058612 /nfs/dbraw/zinc/05/86/12/641058612.db2.gz YNCSHMFHCRKSES-QGZVFWFLSA-N 0 3 320.433 2.088 20 10 DECDHN CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)C1(C)C ZINC000768444555 641082888 /nfs/dbraw/zinc/08/28/88/641082888.db2.gz AIZKMIJTQDGLNL-USXIJHARSA-N 0 3 321.417 2.453 20 10 DECDHN CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)C1(C)C ZINC000768444555 641082893 /nfs/dbraw/zinc/08/28/93/641082893.db2.gz AIZKMIJTQDGLNL-USXIJHARSA-N 0 3 321.417 2.453 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCCC3(CCOCC3)C1)[C@H](O)CO2 ZINC000768465228 641084503 /nfs/dbraw/zinc/08/45/03/641084503.db2.gz DDZWNFNJVQTIMR-MRXNPFEDSA-N 0 3 319.401 2.211 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCCC3(CCOCC3)C1)[C@H](O)CO2 ZINC000768465228 641084505 /nfs/dbraw/zinc/08/45/05/641084505.db2.gz DDZWNFNJVQTIMR-MRXNPFEDSA-N 0 3 319.401 2.211 20 10 DECDHN CCCN1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000989760928 641219067 /nfs/dbraw/zinc/21/90/67/641219067.db2.gz JIQKPYWAPDIKAH-UHFFFAOYSA-N 0 3 317.393 2.407 20 10 DECDHN [O-]c1ccccc1C[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000898723942 641765564 /nfs/dbraw/zinc/76/55/64/641765564.db2.gz KNAOEPWNLUMFKV-LLVKDONJSA-N 0 3 322.206 2.456 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC(C)(F)C2)N(C)C)cc1 ZINC000899104662 641936552 /nfs/dbraw/zinc/93/65/52/641936552.db2.gz RYYWOMORIWONJJ-OAHLLOKOSA-N 0 3 322.428 2.109 20 10 DECDHN CC[C@H]1COCCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775656443 642074018 /nfs/dbraw/zinc/07/40/18/642074018.db2.gz URNKWIBVTAMVFL-KRWDZBQOSA-N 0 3 303.450 2.049 20 10 DECDHN Cc1ccc(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c([O-])c1O ZINC000780933384 642692015 /nfs/dbraw/zinc/69/20/15/642692015.db2.gz WUZVFQSTMCCQEZ-BETUJISGSA-N 0 3 306.406 2.399 20 10 DECDHN Cc1ccc(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c([O-])c1O ZINC000780933384 642692016 /nfs/dbraw/zinc/69/20/16/642692016.db2.gz WUZVFQSTMCCQEZ-BETUJISGSA-N 0 3 306.406 2.399 20 10 DECDHN C[C@@H]1C[C@@H]([NH2+]CCN2CCCOCC2)c2c1c(F)ccc2[O-] ZINC000903225747 643288431 /nfs/dbraw/zinc/28/84/31/643288431.db2.gz AGEUKVDEJCFZTO-TZMCWYRMSA-N 0 3 308.397 2.392 20 10 DECDHN NOCCC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000904458233 643674812 /nfs/dbraw/zinc/67/48/12/643674812.db2.gz VPVBXXKIFMFHBV-UHFFFAOYSA-N 0 3 302.374 2.341 20 10 DECDHN CCOc1ccc(C[N@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000789766373 643772415 /nfs/dbraw/zinc/77/24/15/643772415.db2.gz ZJYQGYOMWVMJRU-GASCZTMLSA-N 0 3 322.449 2.332 20 10 DECDHN CCOc1ccc(C[N@@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000789766373 643772420 /nfs/dbraw/zinc/77/24/20/643772420.db2.gz ZJYQGYOMWVMJRU-GASCZTMLSA-N 0 3 322.449 2.332 20 10 DECDHN CC[C@@H]([NH2+]Cc1nnnn1CC1CC1)c1ccc(F)cc1[O-] ZINC000796944966 644816578 /nfs/dbraw/zinc/81/65/78/644816578.db2.gz HVJBNFQPLATBAD-CYBMUJFWSA-N 0 3 305.357 2.169 20 10 DECDHN CCOc1ccc(C[NH2+][C@H]2COc3ccccc3[C@H]2O)c([O-])c1 ZINC000808454275 646088109 /nfs/dbraw/zinc/08/81/09/646088109.db2.gz OCRQYGSHNRSVBZ-MAUKXSAKSA-N 0 3 315.369 2.375 20 10 DECDHN CCOc1ccc(C[NH2+]Cc2ccc(CC(N)=O)cc2)c([O-])c1 ZINC000810159272 646332970 /nfs/dbraw/zinc/33/29/70/646332970.db2.gz LHGKDXKZDHQEFE-UHFFFAOYSA-N 0 3 314.385 2.109 20 10 DECDHN CC1(C)CN(Cc2cc3c(cc2O)OC[C@@H]3O)[C@@H]1[C@H]1CCCO1 ZINC000811779291 646576302 /nfs/dbraw/zinc/57/63/02/646576302.db2.gz OPYGWAYTEMLITH-ZMSDIMECSA-N 0 3 319.401 2.207 20 10 DECDHN CCOc1ccc(C[NH2+]CC2(COC)CCOCC2)c([O-])c1 ZINC000813781769 646808082 /nfs/dbraw/zinc/80/80/82/646808082.db2.gz RYMBDUQDQCRUTE-UHFFFAOYSA-N 0 3 309.406 2.324 20 10 DECDHN C[C@@H](CNC(=O)NCc1c([O-])cccc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000914074370 647145912 /nfs/dbraw/zinc/14/59/12/647145912.db2.gz DCGFYNFJEZBEAD-OLZOCXBDSA-N 0 3 323.412 2.451 20 10 DECDHN C[C@@H](CNC(=O)NCc1c([O-])cccc1F)[N@H+]1CCC[C@@H](C)C1 ZINC000914074370 647145914 /nfs/dbraw/zinc/14/59/14/647145914.db2.gz DCGFYNFJEZBEAD-OLZOCXBDSA-N 0 3 323.412 2.451 20 10 DECDHN O=[N+]([O-])c1cc(CN[C@@H]2CC[C@H]2O)ccc1N1CCCCC1 ZINC000818230962 647436868 /nfs/dbraw/zinc/43/68/68/647436868.db2.gz KMJNKAKGJYQYJO-CZUORRHYSA-N 0 3 305.378 2.198 20 10 DECDHN CCN1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C ZINC000994496193 647970528 /nfs/dbraw/zinc/97/05/28/647970528.db2.gz OVGLSVNMHDMOMF-FZMZJTMJSA-N 0 3 317.393 2.452 20 10 DECDHN CCOc1cccc(CN2CCN(C(C)(C)COC)CC2)c1O ZINC000822497931 648219489 /nfs/dbraw/zinc/21/94/89/648219489.db2.gz OOYRYHUPKFXZPL-UHFFFAOYSA-N 0 3 322.449 2.334 20 10 DECDHN C[C@@H]1[C@@H](NC(=O)NCCCSc2nccs2)CCN1C ZINC000921447742 648318876 /nfs/dbraw/zinc/31/88/76/648318876.db2.gz RJGRRIFVPZRPQW-MNOVXSKESA-N 0 3 314.480 2.017 20 10 DECDHN Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCCCN2CCO)c1[O-] ZINC000824583425 648616540 /nfs/dbraw/zinc/61/65/40/648616540.db2.gz LIMDAIQKZWSBHI-OAHLLOKOSA-N 0 3 312.841 2.290 20 10 DECDHN COCCN(C)CCC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825108626 648704784 /nfs/dbraw/zinc/70/47/84/648704784.db2.gz XLAYBTSADKEROP-UHFFFAOYSA-N 0 3 300.830 2.412 20 10 DECDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c1[O-] ZINC000827132413 648978904 /nfs/dbraw/zinc/97/89/04/648978904.db2.gz MHPYBWLPGWYPBC-SMDDNHRTSA-N 0 3 308.809 2.455 20 10 DECDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c1[O-] ZINC000827132413 648978906 /nfs/dbraw/zinc/97/89/06/648978906.db2.gz MHPYBWLPGWYPBC-SMDDNHRTSA-N 0 3 308.809 2.455 20 10 DECDHN O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCN(C2CC2)C1 ZINC000844981171 651190141 /nfs/dbraw/zinc/19/01/41/651190141.db2.gz RLOQXFVFICHAEI-GFCCVEGCSA-N 0 3 309.797 2.082 20 10 DECDHN COC(=O)c1cc(CNCc2ccc(OC)cc2O)c(C)o1 ZINC000848907896 651554730 /nfs/dbraw/zinc/55/47/30/651554730.db2.gz KPUKJPYJOKGBDW-UHFFFAOYSA-N 0 3 305.330 2.379 20 10 DECDHN C[C@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1cc(F)ccc1[O-] ZINC000850486901 651937909 /nfs/dbraw/zinc/93/79/09/651937909.db2.gz WCFJZVQLVURRAO-NSHDSACASA-N 0 3 315.410 2.397 20 10 DECDHN CS[C@@H](CO)[C@H](C)NCc1cc(F)c(N(C)C)cc1F ZINC000858143694 652264821 /nfs/dbraw/zinc/26/48/21/652264821.db2.gz RTTMPWBCXUYWNF-XPTSAGLGSA-N 0 3 304.406 2.233 20 10 DECDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCN1CC[C@H](O)C1 ZINC000858338355 652311492 /nfs/dbraw/zinc/31/14/92/652311492.db2.gz GFZZGSNKEUPROP-SFHVURJKSA-N 0 3 312.413 2.215 20 10 DECDHN COc1cccc([C@@H](C)N[C@H]2CCN(C3CCC3)C2=O)c1O ZINC000858603253 685567205 /nfs/dbraw/zinc/56/72/05/685567205.db2.gz VGZLKCDSLLWAHG-RISCZKNCSA-N 0 3 304.390 2.205 20 10 DECDHN CCOc1cccc(C[N@H+](C)C[C@@H]2CCN(C(C)=O)C2)c1[O-] ZINC000092100853 684040951 /nfs/dbraw/zinc/04/09/51/684040951.db2.gz BAXOUJDONRLAEX-AWEZNQCLSA-N 0 3 306.406 2.091 20 10 DECDHN CCOc1cccc(C[N@@H+](C)C[C@@H]2CCN(C(C)=O)C2)c1[O-] ZINC000092100853 684040953 /nfs/dbraw/zinc/04/09/53/684040953.db2.gz BAXOUJDONRLAEX-AWEZNQCLSA-N 0 3 306.406 2.091 20 10 DECDHN CN(C)c1ccc(CN2CCC[C@H](N3CCCC3=O)C2)cc1 ZINC000093277219 684048731 /nfs/dbraw/zinc/04/87/31/684048731.db2.gz CMLRSMCAKBDLRI-KRWDZBQOSA-N 0 3 301.434 2.339 20 10 DECDHN C[C@@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000122833466 684119591 /nfs/dbraw/zinc/11/95/91/684119591.db2.gz CWGCXEJXQUEGHD-CABCVRRESA-N 0 3 303.450 2.347 20 10 DECDHN Cc1ccc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c([O-])c1O ZINC000246475231 685130670 /nfs/dbraw/zinc/13/06/70/685130670.db2.gz OJLSIFWDTLRUPL-DGCLKSJQSA-N 0 3 306.406 2.256 20 10 DECDHN Cc1ccc(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c([O-])c1O ZINC000246475231 685130676 /nfs/dbraw/zinc/13/06/76/685130676.db2.gz OJLSIFWDTLRUPL-DGCLKSJQSA-N 0 3 306.406 2.256 20 10 DECDHN Cn1cc(CCN(Cc2ccco2)Cc2ccccc2O)nn1 ZINC000859190687 685676615 /nfs/dbraw/zinc/67/66/15/685676615.db2.gz NTHMVUSJUFKCDV-UHFFFAOYSA-N 0 3 312.373 2.359 20 10 DECDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2C[C@@H](O)C2)c1[O-] ZINC000862528061 686314483 /nfs/dbraw/zinc/31/44/83/686314483.db2.gz OCOWYIQUGYWUII-WVSHTKLVSA-N 0 3 300.196 2.324 20 10 DECDHN C[N@@H+]1C[C@@H]2CCN(Cc3c([O-])cccc3Br)[C@@H]2C1 ZINC000862372763 686284793 /nfs/dbraw/zinc/28/47/93/686284793.db2.gz AFEJPMYHKNKNGR-GXFFZTMASA-N 0 3 311.223 2.291 20 10 DECDHN C[N@H+]1C[C@@H]2CCN(Cc3c([O-])cccc3Br)[C@@H]2C1 ZINC000862372763 686284797 /nfs/dbraw/zinc/28/47/97/686284797.db2.gz AFEJPMYHKNKNGR-GXFFZTMASA-N 0 3 311.223 2.291 20 10 DECDHN CC(C)(C)OC(=O)CN1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000865776080 687330329 /nfs/dbraw/zinc/33/03/29/687330329.db2.gz JRILMKNYSYZMIF-UHFFFAOYSA-N 0 3 320.433 2.288 20 10 DECDHN CCOc1ccc(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)c([O-])c1 ZINC000865780634 687332011 /nfs/dbraw/zinc/33/20/11/687332011.db2.gz ONDZFTZMFXOYIR-INIZCTEOSA-N 0 3 321.417 2.466 20 10 DECDHN CN(C)c1ccc(CNc2cc3n(n2)CCN(C)C3)cc1F ZINC000865845050 687353109 /nfs/dbraw/zinc/35/31/09/687353109.db2.gz NIFRKUXUBXKWPP-UHFFFAOYSA-N 0 3 303.385 2.146 20 10 DECDHN CCOC(=O)/C=C/CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000930210603 694113362 /nfs/dbraw/zinc/11/33/62/694113362.db2.gz PDQDQMCHMRMWEI-MBVDDHJVSA-N 0 3 318.417 2.293 20 10 DECDHN CCCOc1ccc(CN[C@@H]2CCC(=O)N(C)C2=O)cc1C ZINC000873133695 689166651 /nfs/dbraw/zinc/16/66/51/689166651.db2.gz JECMIROKTFGAGT-CQSZACIVSA-N 0 3 304.390 2.021 20 10 DECDHN COc1ccnc(N2CCN(Cc3c(C)cccc3O)CC2)c1 ZINC000876688226 689903957 /nfs/dbraw/zinc/90/39/57/689903957.db2.gz HSCOTBJWSZVQGE-UHFFFAOYSA-N 0 3 313.401 2.426 20 10 DECDHN Cc1ccc(C[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)c([O-])c1 ZINC000877068869 690012332 /nfs/dbraw/zinc/01/23/32/690012332.db2.gz CXADNMVWODKWQM-HNNXBMFYSA-N 0 3 300.406 2.193 20 10 DECDHN Cc1ccc(C[N@H+](CCN2CCOCC2)CC2CC2)c([O-])c1 ZINC000877636058 690174199 /nfs/dbraw/zinc/17/41/99/690174199.db2.gz LGQYUZNGCOAJLA-UHFFFAOYSA-N 0 3 304.434 2.245 20 10 DECDHN Cc1ccc(C[N@@H+](CCN2CCOCC2)CC2CC2)c([O-])c1 ZINC000877636058 690174200 /nfs/dbraw/zinc/17/42/00/690174200.db2.gz LGQYUZNGCOAJLA-UHFFFAOYSA-N 0 3 304.434 2.245 20 10 DECDHN Cc1cc(CN2CCN(C)C[C@H]2CO)ccc1N1CCCCC1 ZINC000879001326 690546212 /nfs/dbraw/zinc/54/62/12/690546212.db2.gz UPKRRUNUVCLCPM-SFHVURJKSA-N 0 3 317.477 2.094 20 10 DECDHN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879652246 690699083 /nfs/dbraw/zinc/69/90/83/690699083.db2.gz XYKDVKMYWJPRJR-CMPLNLGQSA-N 0 3 316.405 2.420 20 10 DECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)C2)O1 ZINC000886333386 692058803 /nfs/dbraw/zinc/05/88/03/692058803.db2.gz HXFLDUABJXCNLP-DCGLDWPTSA-N 0 3 307.390 2.217 20 10 DECDHN [NH3+][C@H]1C[C@@](C(=O)NCc2c([O-])cccc2F)(c2ccccc2)C1 ZINC001358167645 1152368597 /nfs/dbraw/zinc/36/85/97/1152368597.db2.gz ITQQCRICCXZJMF-KTXOBNNYSA-N 0 3 314.360 2.207 20 10 DECDHN COc1ccc(C[NH+]2CCC(N3CCCCC3=O)CC2)c([O-])c1 ZINC000093741824 780631768 /nfs/dbraw/zinc/63/17/68/780631768.db2.gz PXJMFRCFNVSIBA-UHFFFAOYSA-N 0 3 318.417 2.378 20 10 DECDHN CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000968685588 784540824 /nfs/dbraw/zinc/54/08/24/784540824.db2.gz VYFMXLVWYDICKV-BXUZGUMPSA-N 0 3 317.393 2.309 20 10 DECDHN O=C(Cc1c[nH]cn1)N(Cc1ccco1)Cc1ccccc1O ZINC001137343395 788313439 /nfs/dbraw/zinc/31/34/39/788313439.db2.gz NPFINAUPWJCBLN-UHFFFAOYSA-N 0 3 311.341 2.480 20 10 DECDHN O=C(c1cccc(O)c1[O-])N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001148219044 791712042 /nfs/dbraw/zinc/71/20/42/791712042.db2.gz SVEUXYUBDNCVDO-UHFFFAOYSA-N 0 3 324.380 2.379 20 10 DECDHN Cc1cc(Br)cc(C[NH2+][C@@H](C)C[S@](C)=O)c1[O-] ZINC001180305649 795270625 /nfs/dbraw/zinc/27/06/25/795270625.db2.gz NGLPHKXOCKUBAP-XYZCENFISA-N 0 3 320.252 2.320 20 10 DECDHN COc1cc(CN2[C@@H]3CC[C@H]2CC(=O)C3)cc(CN(C)C)c1O ZINC001139254326 796350292 /nfs/dbraw/zinc/35/02/92/796350292.db2.gz GWGRTRLWQBXDGP-GASCZTMLSA-N 0 3 318.417 2.158 20 10 DECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H](Oc2cnccn2)C1 ZINC001140060063 796471919 /nfs/dbraw/zinc/47/19/19/796471919.db2.gz JNAJLJSXDBKTHH-AWEZNQCLSA-N 0 3 303.337 2.365 20 10 DECDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H](Oc2cnccn2)C1 ZINC001140060063 796471924 /nfs/dbraw/zinc/47/19/24/796471924.db2.gz JNAJLJSXDBKTHH-AWEZNQCLSA-N 0 3 303.337 2.365 20 10 DECDHN C[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2F)CC[C@@H]1O ZINC001140660212 796552031 /nfs/dbraw/zinc/55/20/31/796552031.db2.gz JOGRVFNTHVFADQ-KSSFIOAISA-N 0 3 322.424 2.255 20 10 DECDHN OC[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140660332 796552096 /nfs/dbraw/zinc/55/20/96/796552096.db2.gz OLXGUEKSAFPNLY-HNNXBMFYSA-N 0 3 322.424 2.257 20 10 DECDHN Cc1ccc(C[N@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)c([O-])c1 ZINC001140949460 796605843 /nfs/dbraw/zinc/60/58/43/796605843.db2.gz CIMIDAZCLHJMIL-IYBDPMFKSA-N 0 3 310.401 2.059 20 10 DECDHN Cc1ccc(C[N@@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)c([O-])c1 ZINC001140949460 796605845 /nfs/dbraw/zinc/60/58/45/796605845.db2.gz CIMIDAZCLHJMIL-IYBDPMFKSA-N 0 3 310.401 2.059 20 10 DECDHN CN(CCN(C)C(=O)Cc1ccc(N)cc1)Cc1ccccc1 ZINC001161161292 798803916 /nfs/dbraw/zinc/80/39/16/798803916.db2.gz QPVXAQXBIUSTPX-UHFFFAOYSA-N 0 3 311.429 2.402 20 10 DECDHN [NH3+][C@@H]1CN(Cc2c([O-])cccc2Br)CC(F)(F)C1 ZINC001206131634 800477326 /nfs/dbraw/zinc/47/73/26/800477326.db2.gz HDARTXWOJHJESB-QMMMGPOBSA-N 0 3 321.165 2.323 20 10 DECDHN [NH3+][C@H]1C[C@@H](F)CN(Cc2cc(Br)ccc2[O-])C1 ZINC001206405157 800525942 /nfs/dbraw/zinc/52/59/42/800525942.db2.gz OUTNBRDYPAHBSA-MNOVXSKESA-N 0 3 303.175 2.026 20 10 DECDHN O=c1[nH]c(=O)c2c([nH]1)CC[N@@H+](Cc1c([O-])ccc3ccccc31)C2 ZINC001231590263 801691009 /nfs/dbraw/zinc/69/10/09/801691009.db2.gz PEEUEXQCKJJGCM-UHFFFAOYSA-N 0 3 323.352 2.305 20 10 DECDHN O=c1[nH]c(=O)c2c([nH]1)CC[N@H+](Cc1c([O-])ccc3ccccc31)C2 ZINC001231590263 801691012 /nfs/dbraw/zinc/69/10/12/801691012.db2.gz PEEUEXQCKJJGCM-UHFFFAOYSA-N 0 3 323.352 2.305 20 10 DECDHN CCOC(=O)[C@@H]1CN(Cc2c(C)cc(C)cc2O)CCS1 ZINC001231851040 801737216 /nfs/dbraw/zinc/73/72/16/801737216.db2.gz YBROSIANKRBRJE-HNNXBMFYSA-N 0 3 309.431 2.490 20 10 DECDHN Clc1cc(CN2CCN3CC[C@@H]3C2)ccc1N1CCOCC1 ZINC001232199585 801814660 /nfs/dbraw/zinc/81/46/60/801814660.db2.gz DQSVSRNVMVTUHV-OAHLLOKOSA-N 0 3 321.852 2.067 20 10 DECDHN CCOC(=O)C1(F)CCN(Cc2ccc(N(C)C)cc2O)CC1 ZINC001232839516 801969430 /nfs/dbraw/zinc/96/94/30/801969430.db2.gz PARORZPXJKCKKZ-UHFFFAOYSA-N 0 3 324.396 2.325 20 10 DECDHN Oc1cc(O)c(CN2CCC[C@@H](Oc3cccnc3)C2)cc1O ZINC001233484897 802126903 /nfs/dbraw/zinc/12/69/03/802126903.db2.gz BLQANROMBPFPRZ-CQSZACIVSA-N 0 3 316.357 2.242 20 10 DECDHN CN1CCN(Cc2cc(O)c(O)cc2O)C[C@H]1c1ccccc1 ZINC001233485415 802127582 /nfs/dbraw/zinc/12/75/82/802127582.db2.gz VASLJLOOIAZBRE-HNNXBMFYSA-N 0 3 314.385 2.292 20 10 DECDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@H]3CCC[NH2+]C3)cccc21 ZINC001218279778 802163438 /nfs/dbraw/zinc/16/34/38/802163438.db2.gz RPBLZGWMIOZRKX-NSHDSACASA-N 0 3 323.348 2.298 20 10 DECDHN CCN1CCN(Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233727682 802190455 /nfs/dbraw/zinc/19/04/55/802190455.db2.gz ODZSPTOUFKUGNH-UHFFFAOYSA-N 0 3 304.312 2.428 20 10 DECDHN Oc1c(CN2CC[C@H](F)[C@H](O)C2)cccc1OC(F)(F)F ZINC001233727761 802190626 /nfs/dbraw/zinc/19/06/26/802190626.db2.gz PHDWTIBLGQBANL-VHSXEESVSA-N 0 3 309.259 2.196 20 10 DECDHN C[N@H+](CCC1OCCO1)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233761561 802200911 /nfs/dbraw/zinc/20/09/11/802200911.db2.gz VLDXAZUHPPIGNY-UHFFFAOYSA-N 0 3 321.295 2.486 20 10 DECDHN C[N@@H+](CCC1OCCO1)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233761561 802200921 /nfs/dbraw/zinc/20/09/21/802200921.db2.gz VLDXAZUHPPIGNY-UHFFFAOYSA-N 0 3 321.295 2.486 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCOC[C@](C)(O)C3)c2c1 ZINC001234525416 802402206 /nfs/dbraw/zinc/40/22/06/802402206.db2.gz GQAMEZLROZDBAR-GOSISDBHSA-N 0 3 317.385 2.137 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@H+]3CCOC[C@](C)(O)C3)c2c1 ZINC001234525416 802402208 /nfs/dbraw/zinc/40/22/08/802402208.db2.gz GQAMEZLROZDBAR-GOSISDBHSA-N 0 3 317.385 2.137 20 10 DECDHN COc1cc(C)c(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)c([O-])c1 ZINC001462519551 1058841854 /nfs/dbraw/zinc/84/18/54/1058841854.db2.gz REXCUWOCMCZFKB-HNNXBMFYSA-N 0 3 321.417 2.385 20 10 DECDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)CC(=O)OCC ZINC001473424589 1060682395 /nfs/dbraw/zinc/68/23/95/1060682395.db2.gz NPJZSZLYBONSCD-OAHLLOKOSA-N 0 3 309.406 2.308 20 10 DECDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H](O)CC(=O)OCC ZINC001473424589 1060682400 /nfs/dbraw/zinc/68/24/00/1060682400.db2.gz NPJZSZLYBONSCD-OAHLLOKOSA-N 0 3 309.406 2.308 20 10 DECDHN [NH3+]CC[C@@H](NCc1ccc(Br)cc1[O-])C(F)F ZINC001580284597 1067551150 /nfs/dbraw/zinc/55/11/50/1067551150.db2.gz KVMPWESZOLYRFQ-SECBINFHSA-N 0 3 309.154 2.227 20 10 DECDHN C[C@H]([NH2+]CC(=O)NC(=O)Nc1ccccc1)c1ccccc1[O-] ZINC001644182976 1078833886 /nfs/dbraw/zinc/83/38/86/1078833886.db2.gz DGEOLIBLVAWPJT-LBPRGKRZSA-N 0 3 313.357 2.391 20 10 DECDHN CN1CCCc2cc(CNCc3ccc(C(N)=O)cc3)ccc21 ZINC001560296915 1075136494 /nfs/dbraw/zinc/13/64/94/1075136494.db2.gz NXFYWNPSBAOGDV-UHFFFAOYSA-N 0 3 309.413 2.458 20 10 DECDHN CCN(C)c1ccc(CN2CCC[C@@H](NC(=O)NC)C2)cc1 ZINC001655581909 1080006306 /nfs/dbraw/zinc/00/63/06/1080006306.db2.gz XAZTXNMVFHIKIB-OAHLLOKOSA-N 0 3 304.438 2.036 20 10 DECDHN C[C@@H]1C[C@H]1N1C[C@@H](NCc2ccc3c(c2)CCCO3)CC1=O ZINC001657314640 1080170310 /nfs/dbraw/zinc/17/03/10/1080170310.db2.gz YBZPDSBRBVFTCK-UHOFOFEASA-N 0 3 300.402 2.111 20 10 DECDHN COC(=O)C[C@]1(NCc2c(C)c3ccccc3n2C)CCOC1 ZINC001657755775 1080184543 /nfs/dbraw/zinc/18/45/43/1080184543.db2.gz DAACHPGRFIZKDV-GOSISDBHSA-N 0 3 316.401 2.299 20 10 DECDHN [O-]c1cccc(Br)c1CN1CCCCC12C[NH2+]C2 ZINC001235103399 1084313290 /nfs/dbraw/zinc/31/32/90/1084313290.db2.gz YKRXSFATDMLZDH-UHFFFAOYSA-N 0 3 311.223 2.483 20 10 DECDHN CC(C)(C)c1ccc(C[NH+]2CCC3(CNC(=O)N3)CC2)c([O-])c1 ZINC001235681986 1084497589 /nfs/dbraw/zinc/49/75/89/1084497589.db2.gz TZBSJZOPXVCNMU-UHFFFAOYSA-N 0 3 317.433 2.337 20 10 DECDHN COc1ccc(CNC/C=C/CNC(=O)c2ccc[nH]2)cc1C ZINC001273844098 1092305562 /nfs/dbraw/zinc/30/55/62/1092305562.db2.gz VOKMNMIKBXYPDX-ONEGZZNKSA-N 0 3 313.401 2.408 20 10 DECDHN C[N@@H+]1CCC2(CN(Cc3c([O-])cccc3Br)C2)C1 ZINC001275948370 1092365119 /nfs/dbraw/zinc/36/51/19/1092365119.db2.gz ZYWREMJJUYHFEN-UHFFFAOYSA-N 0 3 311.223 2.292 20 10 DECDHN C[N@H+]1CCC2(CN(Cc3c([O-])cccc3Br)C2)C1 ZINC001275948370 1092365133 /nfs/dbraw/zinc/36/51/33/1092365133.db2.gz ZYWREMJJUYHFEN-UHFFFAOYSA-N 0 3 311.223 2.292 20 10 DECDHN CN(C)c1ccc(CN2CC[C@@]3(CCCN3C3CC3)C2=O)cc1 ZINC001274022657 1093769077 /nfs/dbraw/zinc/76/90/77/1093769077.db2.gz KFLJGTJELMTVMY-IBGZPJMESA-N 0 3 313.445 2.482 20 10 DECDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@]3(CCN(C)C3=O)C2)c1[O-] ZINC001274123153 1093808425 /nfs/dbraw/zinc/80/84/25/1093808425.db2.gz YJBFUDKEFPVOBE-MRXNPFEDSA-N 0 3 324.808 2.108 20 10 DECDHN COc1cc(Cl)cc(C[N@H+]2CC[C@]3(CCN(C)C3=O)C2)c1[O-] ZINC001274123153 1093808433 /nfs/dbraw/zinc/80/84/33/1093808433.db2.gz YJBFUDKEFPVOBE-MRXNPFEDSA-N 0 3 324.808 2.108 20 10 DECDHN CC(C)[N@H+](CCCO)Cc1cc(O)c(Br)cc1[O-] ZINC001236776209 1138424760 /nfs/dbraw/zinc/42/47/60/1138424760.db2.gz VEKJEWOSPTZNRZ-UHFFFAOYSA-N 0 3 318.211 2.453 20 10 DECDHN CC(C)[N@@H+](CCCO)Cc1cc(O)c(Br)cc1[O-] ZINC001236776209 1138424766 /nfs/dbraw/zinc/42/47/66/1138424766.db2.gz VEKJEWOSPTZNRZ-UHFFFAOYSA-N 0 3 318.211 2.453 20 10 DECDHN CCc1ccc(C[NH+]2CCC3(CCNC(=O)O3)CC2)c([O-])c1 ZINC001236786368 1138427286 /nfs/dbraw/zinc/42/72/86/1138427286.db2.gz AQTFPCWEUMPMGS-UHFFFAOYSA-N 0 3 304.390 2.419 20 10 DECDHN COC(=O)[C@@H]1C[N@H+](Cc2c(C)cc(OC)cc2[O-])CC12CC2 ZINC001236812632 1138436759 /nfs/dbraw/zinc/43/67/59/1138436759.db2.gz CPBSLXZJGBDQEW-AWEZNQCLSA-N 0 3 305.374 2.094 20 10 DECDHN COC(=O)[C@@H]1C[N@@H+](Cc2c(C)cc(OC)cc2[O-])CC12CC2 ZINC001236812632 1138436773 /nfs/dbraw/zinc/43/67/73/1138436773.db2.gz CPBSLXZJGBDQEW-AWEZNQCLSA-N 0 3 305.374 2.094 20 10 DECDHN COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001236810495 1138437292 /nfs/dbraw/zinc/43/72/92/1138437292.db2.gz IBVZXYDOJLGUOQ-OLZOCXBDSA-N 0 3 307.390 2.483 20 10 DECDHN COC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001236810495 1138437301 /nfs/dbraw/zinc/43/73/01/1138437301.db2.gz IBVZXYDOJLGUOQ-OLZOCXBDSA-N 0 3 307.390 2.483 20 10 DECDHN COC(=O)[C@H]1C[N@H+](Cc2c(C)cc(OC)cc2[O-])CC12CC2 ZINC001236812633 1138437837 /nfs/dbraw/zinc/43/78/37/1138437837.db2.gz CPBSLXZJGBDQEW-CQSZACIVSA-N 0 3 305.374 2.094 20 10 DECDHN COC(=O)[C@H]1C[N@@H+](Cc2c(C)cc(OC)cc2[O-])CC12CC2 ZINC001236812633 1138437841 /nfs/dbraw/zinc/43/78/41/1138437841.db2.gz CPBSLXZJGBDQEW-CQSZACIVSA-N 0 3 305.374 2.094 20 10 DECDHN Oc1cccc(OC(F)(F)F)c1CN1CCN2CC[C@H]2C1 ZINC001237124519 1138509028 /nfs/dbraw/zinc/50/90/28/1138509028.db2.gz CETLOIRLYYJRKO-JTQLQIEISA-N 0 3 302.296 2.181 20 10 DECDHN CO[C@H]1C[NH2+]C[C@@H]1N(C)Cc1cccc(-c2ccccc2)c1[O-] ZINC001237173180 1138512736 /nfs/dbraw/zinc/51/27/36/1138512736.db2.gz MXEODYVHZQZRFE-ROUUACIJSA-N 0 3 312.413 2.478 20 10 DECDHN CC1CC(N(C)Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001237204021 1138529473 /nfs/dbraw/zinc/52/94/73/1138529473.db2.gz XJIZLEZVKNPBDB-UHFFFAOYSA-N 0 3 322.474 2.152 20 10 DECDHN Cc1cccc(O)c1CN1CCN(c2nccc(Cl)n2)CC1 ZINC001237488405 1138655665 /nfs/dbraw/zinc/65/56/65/1138655665.db2.gz WXBZUQJWQHRACE-UHFFFAOYSA-N 0 3 318.808 2.466 20 10 DECDHN Cc1cc(F)cc(C[N@H+]2CCCC[C@]23CC(=O)N(C)C3)c1[O-] ZINC001238059649 1138819458 /nfs/dbraw/zinc/81/94/58/1138819458.db2.gz BVHNJKDGFKCUGU-QGZVFWFLSA-N 0 3 306.381 2.427 20 10 DECDHN Cc1cc(F)cc(C[N@@H+]2CCCC[C@]23CC(=O)N(C)C3)c1[O-] ZINC001238059649 1138819459 /nfs/dbraw/zinc/81/94/59/1138819459.db2.gz BVHNJKDGFKCUGU-QGZVFWFLSA-N 0 3 306.381 2.427 20 10 DECDHN CC[C@@H]([NH2+][C@@H](C)C(=O)NCC(F)(F)F)c1ccccc1[O-] ZINC001320713630 1140897496 /nfs/dbraw/zinc/89/74/96/1140897496.db2.gz YWCSORMRIWBDNY-GXSJLCMTSA-N 0 3 304.312 2.500 20 10 DECDHN CC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COCc1ccco1 ZINC001252640903 1142801291 /nfs/dbraw/zinc/80/12/91/1142801291.db2.gz XZFGTRWXORFJKY-OAHLLOKOSA-N 0 3 305.374 2.385 20 10 DECDHN CC[N@H+](Cc1ccccc1[O-])C[C@@H](O)COCc1ccco1 ZINC001252640903 1142801293 /nfs/dbraw/zinc/80/12/93/1142801293.db2.gz XZFGTRWXORFJKY-OAHLLOKOSA-N 0 3 305.374 2.385 20 10 DECDHN CC[C@H](C)C[C@H](N)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001341351573 1143588584 /nfs/dbraw/zinc/58/85/84/1143588584.db2.gz SZIKNGCTMLIBHK-ZQIUZPCESA-N 0 3 319.449 2.154 20 10 DECDHN CCOC(=O)N[C@H]1CCCN(Cc2c(C)cc(OC)cc2O)C1 ZINC001308571189 1147480456 /nfs/dbraw/zinc/48/04/56/1147480456.db2.gz RZWOBIDKQXDKEI-ZDUSSCGKSA-N 0 3 322.405 2.420 20 10 DECDHN O=C1COc2ccccc2N1CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC001324848053 1147852451 /nfs/dbraw/zinc/85/24/51/1147852451.db2.gz LXZVAYBVRQIHFO-CQSZACIVSA-N 0 3 324.380 2.395 20 10 DECDHN COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1cc(OC)ccc1[O-])C2 ZINC000374682869 533639743 /nfs/dbraw/zinc/63/97/43/533639743.db2.gz MVYCXMLRUONUOR-GUYCJALGSA-N 0 3 305.374 2.176 20 10 DECDHN COC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1cc(OC)ccc1[O-])C2 ZINC000374682869 533639749 /nfs/dbraw/zinc/63/97/49/533639749.db2.gz MVYCXMLRUONUOR-GUYCJALGSA-N 0 3 305.374 2.176 20 10 DECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@]2(N(C)C)CCSC2)c1 ZINC000273598761 130141647 /nfs/dbraw/zinc/14/16/47/130141647.db2.gz ROVAIKPSJGADPG-WBMJQRKESA-N 0 3 310.463 2.489 20 10 DECDHN CC[C@H]([NH2+]C[C@@H](C)N1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000285524991 131177929 /nfs/dbraw/zinc/17/79/29/131177929.db2.gz BJUCVDVYJXIZGO-CJNGLKHVSA-N 0 3 309.429 2.208 20 10 DECDHN CCCNC(=O)C1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000125387160 402229527 /nfs/dbraw/zinc/22/95/27/402229527.db2.gz CVOLCCUIFXZACP-UHFFFAOYSA-N 0 3 303.450 2.491 20 10 DECDHN COC(=O)c1cc(CN(C)Cc2ccc(N(C)C)cc2)c[nH]1 ZINC000155178944 402247667 /nfs/dbraw/zinc/24/76/67/402247667.db2.gz BICHREMGLSPVDU-UHFFFAOYSA-N 0 3 301.390 2.499 20 10 DECDHN COc1ccc(O)c([C@@H](C)NCCS(=O)(=O)C(C)(C)C)c1 ZINC000186027768 402396878 /nfs/dbraw/zinc/39/68/78/402396878.db2.gz VPQBPSINVULHOL-LLVKDONJSA-N 0 3 315.435 2.265 20 10 DECDHN C[C@@H]([NH2+]CCCCCS(C)(=O)=O)c1cc(F)ccc1[O-] ZINC000186859629 402468066 /nfs/dbraw/zinc/46/80/66/402468066.db2.gz LJYMDHCZVFZXHE-LLVKDONJSA-N 0 3 303.399 2.397 20 10 DECDHN C[C@H](N[C@H]1C[C@H](O)C1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000187677760 402507710 /nfs/dbraw/zinc/50/77/10/402507710.db2.gz PYRYEFXLAQBHRA-ZLIFDBKOSA-N 0 3 322.424 2.472 20 10 DECDHN CCOc1ccc([O-])c(C[NH2+]C(C)(C)CCS(C)(=O)=O)c1 ZINC000174637090 402749665 /nfs/dbraw/zinc/74/96/65/402749665.db2.gz HBGYDTPDFVZRLV-UHFFFAOYSA-N 0 3 315.435 2.094 20 10 DECDHN COCCC(=O)N1CCC([NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000183620979 402782600 /nfs/dbraw/zinc/78/26/00/402782600.db2.gz PUHWADRYFJCZCL-CYBMUJFWSA-N 0 3 306.406 2.070 20 10 DECDHN CC[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(C)cc1[O-] ZINC000280089866 402966938 /nfs/dbraw/zinc/96/69/38/402966938.db2.gz MHKVRCVOHCFWMN-AWEZNQCLSA-N 0 3 306.406 2.023 20 10 DECDHN COc1cccc(CN2C[C@]3(CCOC3)OC(C)(C)C2)c1O ZINC000280118368 402967686 /nfs/dbraw/zinc/96/76/86/402967686.db2.gz BLAVRWBSWSAAOA-KRWDZBQOSA-N 0 3 307.390 2.171 20 10 DECDHN COC[C@@H](O)CN[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268889991 403120848 /nfs/dbraw/zinc/12/08/48/403120848.db2.gz JPKHKRGQITUVDJ-HIFRSBDPSA-N 0 3 310.413 2.474 20 10 DECDHN Cn1cc2c(n1)CCC[C@@H]2NCc1cc2c(cc1O)OCO2 ZINC000283017482 403165269 /nfs/dbraw/zinc/16/52/69/403165269.db2.gz PDIBUKKEBOFMTJ-LBPRGKRZSA-N 0 3 301.346 2.022 20 10 DECDHN CCCOc1ccc(C[NH2+][C@H]2CCC(=O)NC23CCC3)c([O-])c1 ZINC000282649543 403157909 /nfs/dbraw/zinc/15/79/09/403157909.db2.gz HSXZOSCZFQECCX-INIZCTEOSA-N 0 3 318.417 2.472 20 10 DECDHN CCOCC[C@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000277623610 403238143 /nfs/dbraw/zinc/23/81/43/403238143.db2.gz GLOUSMQICBSXRL-DLBZAZTESA-N 0 3 323.433 2.161 20 10 DECDHN CCOCC[C@H](O)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000277623610 403238145 /nfs/dbraw/zinc/23/81/45/403238145.db2.gz GLOUSMQICBSXRL-DLBZAZTESA-N 0 3 323.433 2.161 20 10 DECDHN CCCOc1ccc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)c([O-])c1 ZINC000276797617 403194419 /nfs/dbraw/zinc/19/44/19/403194419.db2.gz MAPCTJMPMZFCQL-HNNXBMFYSA-N 0 3 318.417 2.378 20 10 DECDHN CCCOc1ccc(C[N@H+]2CC[C@H](N3CCCC3=O)C2)c([O-])c1 ZINC000276797617 403194421 /nfs/dbraw/zinc/19/44/21/403194421.db2.gz MAPCTJMPMZFCQL-HNNXBMFYSA-N 0 3 318.417 2.378 20 10 DECDHN COC(=O)[C@@H]1CC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000271080373 403261851 /nfs/dbraw/zinc/26/18/51/403261851.db2.gz INJXTAFKYDSRIA-SECBINFHSA-N 0 3 314.179 2.150 20 10 DECDHN COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000271080373 403261853 /nfs/dbraw/zinc/26/18/53/403261853.db2.gz INJXTAFKYDSRIA-SECBINFHSA-N 0 3 314.179 2.150 20 10 DECDHN CCOC(=O)[C@H]1CCCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000271108605 403264956 /nfs/dbraw/zinc/26/49/56/403264956.db2.gz SNRRRSDLCILPCU-LBPRGKRZSA-N 0 3 323.389 2.185 20 10 DECDHN C[N@H+](CCC(=O)OC(C)(C)C)Cc1cc2c(cc1[O-])OCO2 ZINC000271184850 403275089 /nfs/dbraw/zinc/27/50/89/403275089.db2.gz MLHSYUKBJGEDAY-UHFFFAOYSA-N 0 3 309.362 2.285 20 10 DECDHN C[N@@H+](CCC(=O)OC(C)(C)C)Cc1cc2c(cc1[O-])OCO2 ZINC000271184850 403275090 /nfs/dbraw/zinc/27/50/90/403275090.db2.gz MLHSYUKBJGEDAY-UHFFFAOYSA-N 0 3 309.362 2.285 20 10 DECDHN CN(CCC(=O)OC(C)(C)C)Cc1cc2c(cc1O)OCO2 ZINC000271184850 403275091 /nfs/dbraw/zinc/27/50/91/403275091.db2.gz MLHSYUKBJGEDAY-UHFFFAOYSA-N 0 3 309.362 2.285 20 10 DECDHN CCC[C@H](C)C(=O)NCC[NH2+]Cc1cc(OCC)ccc1[O-] ZINC000292749173 403376412 /nfs/dbraw/zinc/37/64/12/403376412.db2.gz RDCBSIWVNMXMET-ZDUSSCGKSA-N 0 3 308.422 2.433 20 10 DECDHN Cc1cc(C(=O)NC2CCN(C)CC2)c(C)n1-c1ccccn1 ZINC000298760240 403458821 /nfs/dbraw/zinc/45/88/21/403458821.db2.gz UASHRDUUDHRQFB-UHFFFAOYSA-N 0 3 312.417 2.313 20 10 DECDHN CN1CCC[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)C1 ZINC000293852589 403580872 /nfs/dbraw/zinc/58/08/72/403580872.db2.gz DEAKQQYSNURJGK-JXTAAOLFSA-N 0 3 316.401 2.055 20 10 DECDHN CN(Cc1cc2c(cc1O)OCO2)[C@H](CO)c1ccccc1 ZINC000295094891 403758428 /nfs/dbraw/zinc/75/84/28/403758428.db2.gz SABALOMHRNUABS-CQSZACIVSA-N 0 3 301.342 2.286 20 10 DECDHN COC(=O)CCCCC[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000289944998 404011229 /nfs/dbraw/zinc/01/12/29/404011229.db2.gz XKQZBSCMQVHPDI-UHFFFAOYSA-N 0 3 311.378 2.232 20 10 DECDHN COc1cc([O-])c(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)cc1OC ZINC000290559459 404219665 /nfs/dbraw/zinc/21/96/65/404219665.db2.gz SGJRZQXVHYBHQO-OCCSQVGLSA-N 0 3 308.422 2.181 20 10 DECDHN COc1cc([O-])c(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)cc1OC ZINC000290559459 404219670 /nfs/dbraw/zinc/21/96/70/404219670.db2.gz SGJRZQXVHYBHQO-OCCSQVGLSA-N 0 3 308.422 2.181 20 10 DECDHN [O-]c1ccc(Br)cc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000245856550 225222894 /nfs/dbraw/zinc/22/28/94/225222894.db2.gz DRZUPTUILHQZRW-ZDUSSCGKSA-N 0 3 311.223 2.435 20 10 DECDHN [O-]c1ccc(Br)cc1CN1CC[N@H+]2CCC[C@H]2C1 ZINC000245856550 225222897 /nfs/dbraw/zinc/22/28/97/225222897.db2.gz DRZUPTUILHQZRW-ZDUSSCGKSA-N 0 3 311.223 2.435 20 10 DECDHN CN(C)c1ccc(/C=C/CN2CCN(C(C)(C)CO)CC2)cc1 ZINC000835027357 649868494 /nfs/dbraw/zinc/86/84/94/649868494.db2.gz DVKWWKUUWSZXEG-AATRIKPKSA-N 0 3 317.477 2.154 20 10 DECDHN Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000180163271 527454439 /nfs/dbraw/zinc/45/44/39/527454439.db2.gz SHHQGOKTLWOSNM-INIZCTEOSA-N 0 3 319.380 2.210 20 10 DECDHN CCC[C@@](C)(N)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000272510055 535524845 /nfs/dbraw/zinc/52/48/45/535524845.db2.gz XEUCFJSCGIWYNV-QGZVFWFLSA-N 0 3 323.412 2.000 20 10 DECDHN CC(C)N1C[C@@H](NC/C=C\c2ccc(N(C)C)cc2)CC1=O ZINC000835039621 649870296 /nfs/dbraw/zinc/87/02/96/649870296.db2.gz HXIZABWGQFJSAW-KJPDOMRESA-N 0 3 301.434 2.365 20 10 DECDHN COC(=O)C[C@@]1(NC/C=C\c2ccc(N(C)C)cc2)CCOC1 ZINC000835046614 649871504 /nfs/dbraw/zinc/87/15/04/649871504.db2.gz LGQBHARIWGGXRZ-XDXAGZTOSA-N 0 3 318.417 2.078 20 10 DECDHN CN(C)c1ccc(/C=C\CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1 ZINC000835051162 649872062 /nfs/dbraw/zinc/87/20/62/649872062.db2.gz WUXGBONFXLTATQ-VHIZNARTSA-N 0 3 313.445 2.352 20 10 DECDHN CNC(=O)[C@H](CCSC)NC/C=C\c1ccc(N(C)C)cc1 ZINC000835056361 649872830 /nfs/dbraw/zinc/87/28/30/649872830.db2.gz UHDNAHRLIWBROP-KJPDOMRESA-N 0 3 321.490 2.223 20 10 DECDHN Cc1cc(O)c(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000822210863 599407722 /nfs/dbraw/zinc/40/77/22/599407722.db2.gz UIWDNNYCSJNYTL-UHFFFAOYSA-N 0 3 309.373 2.479 20 10 DECDHN Cc1conc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891245852 623789799 /nfs/dbraw/zinc/78/97/99/623789799.db2.gz JVWPTVWDHQDPNN-OAHLLOKOSA-N 0 3 316.405 2.082 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)c2cscn2)N(C)C)cc1 ZINC000891248465 623792421 /nfs/dbraw/zinc/79/24/21/623792421.db2.gz MAVNYZLLDDEQPK-OAHLLOKOSA-N 0 3 318.446 2.242 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc[nH]2)N(C)C)cc1 ZINC000891254744 623800302 /nfs/dbraw/zinc/80/03/02/623800302.db2.gz IUFFSMHVUAGKRG-MRXNPFEDSA-N 0 3 300.406 2.113 20 10 DECDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2c(C)n[nH]c2C)c1 ZINC000182339744 625254536 /nfs/dbraw/zinc/25/45/36/625254536.db2.gz XIPAKUKEKLXWFA-VIFPVBQESA-N 0 3 318.377 2.030 20 10 DECDHN CN(C)c1ccc(CN[C@@H]2CCC3(C[C@@H]2F)OCCO3)cc1 ZINC000892475676 625822726 /nfs/dbraw/zinc/82/27/26/625822726.db2.gz KWRJBKNUHUGFEC-JKSUJKDBSA-N 0 3 308.397 2.476 20 10 DECDHN CCN1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009678910 633824455 /nfs/dbraw/zinc/82/44/55/633824455.db2.gz ZTDPFDRATRRDRY-CYBMUJFWSA-N 0 3 303.366 2.063 20 10 DECDHN CCOc1ccc(C[NH2+]CCC(C)(C)S(C)(=O)=O)c([O-])c1 ZINC000840960486 635778603 /nfs/dbraw/zinc/77/86/03/635778603.db2.gz OLXLZMROHFQLLP-UHFFFAOYSA-N 0 3 315.435 2.094 20 10 DECDHN COC(=O)c1c(CN(C)[C@H](C)CCO)c2cc(F)ccc2n1C ZINC000895149600 637670663 /nfs/dbraw/zinc/67/06/63/637670663.db2.gz MCEGXCBUEFFTMH-LLVKDONJSA-N 0 3 322.380 2.307 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]C2(CO)CCSCC2)c1[O-] ZINC000839182422 637812059 /nfs/dbraw/zinc/81/20/59/637812059.db2.gz OTBZFNJRMPZWIY-UHFFFAOYSA-N 0 3 317.838 2.402 20 10 DECDHN C[C@@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)[C@@H]1C ZINC000839499477 637897520 /nfs/dbraw/zinc/89/75/20/637897520.db2.gz VVPCZBNWJAPGRG-HUUCEWRRSA-N 0 3 303.450 2.489 20 10 DECDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000741140382 637943007 /nfs/dbraw/zinc/94/30/07/637943007.db2.gz QDBSDIGOPNXNCV-BETUJISGSA-N 0 3 307.413 2.381 20 10 DECDHN Cc1ccc(C[NH2+]CCN2C[C@H]3CCCCN3C2=O)c([O-])c1 ZINC000895342499 637948810 /nfs/dbraw/zinc/94/88/10/637948810.db2.gz GDITZBJXOWJSFA-OAHLLOKOSA-N 0 3 303.406 2.080 20 10 DECDHN Cc1cc(N(C)C)ccc1CN1CC[C@H](NC(=O)NC2CC2)C1 ZINC000840938682 650390213 /nfs/dbraw/zinc/39/02/13/650390213.db2.gz FGTRFMFSRWKBTG-INIZCTEOSA-N 0 3 316.449 2.097 20 10 DECDHN CN(C)c1ccc([C@@H](N)C[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000841044920 650413643 /nfs/dbraw/zinc/41/36/43/650413643.db2.gz FYDYSLROCQONAR-INIZCTEOSA-N 0 3 303.381 2.387 20 10 DECDHN Cc1cccc([O-])c1C[NH2+]CC1CCC(S(C)(=O)=O)CC1 ZINC000896253843 638432680 /nfs/dbraw/zinc/43/26/80/638432680.db2.gz MFTGXLNDQBAXKC-UHFFFAOYSA-N 0 3 311.447 2.394 20 10 DECDHN CCOC[C@@H](O)CN(Cc1ccco1)Cc1ccccc1O ZINC000749295964 638633510 /nfs/dbraw/zinc/63/35/10/638633510.db2.gz CZYXZGAGNMIRCK-HNNXBMFYSA-N 0 3 305.374 2.385 20 10 DECDHN CCOc1ccc(C[NH+]2CCC3(CC2)C[C@H](O)CCO3)c([O-])c1 ZINC000897261562 639295014 /nfs/dbraw/zinc/29/50/14/639295014.db2.gz JJQQVMKYWHKEOA-OAHLLOKOSA-N 0 3 321.417 2.297 20 10 DECDHN CCS(=O)(=O)CC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756537791 639670349 /nfs/dbraw/zinc/67/03/49/639670349.db2.gz ZWARAXXGJAPANW-GXSJLCMTSA-N 0 3 301.383 2.104 20 10 DECDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cnn(C)c2)c2c1c(F)ccc2[O-] ZINC000756608431 639679114 /nfs/dbraw/zinc/67/91/14/639679114.db2.gz BMJHMLHMOWVIMU-GAJTVXKRSA-N 0 3 305.353 2.136 20 10 DECDHN C[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc2ccccc2c1[O-] ZINC000762788767 640459600 /nfs/dbraw/zinc/45/96/00/640459600.db2.gz QOCDXNQFCKESBM-UGSOOPFHSA-N 0 3 300.402 2.263 20 10 DECDHN COc1cc(CN2CCCC[C@H]2C2OCCO2)c(O)cc1C ZINC000768444762 641081951 /nfs/dbraw/zinc/08/19/51/641081951.db2.gz CKECNKCPKFTBON-AWEZNQCLSA-N 0 3 307.390 2.437 20 10 DECDHN CCOC[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768449617 641083817 /nfs/dbraw/zinc/08/38/17/641083817.db2.gz WXAXSRZFGMSWTQ-LRDDRELGSA-N 0 3 307.390 2.067 20 10 DECDHN CCOC[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768449617 641083821 /nfs/dbraw/zinc/08/38/21/641083821.db2.gz WXAXSRZFGMSWTQ-LRDDRELGSA-N 0 3 307.390 2.067 20 10 DECDHN COc1cccc([O-])c1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000769409031 641234844 /nfs/dbraw/zinc/23/48/44/641234844.db2.gz AKPUJHDADFVREB-ZDUSSCGKSA-N 0 3 307.390 2.219 20 10 DECDHN CCN1CCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000774991143 641991088 /nfs/dbraw/zinc/99/10/88/641991088.db2.gz NNIBOLDPKHKCJJ-GFCCVEGCSA-N 0 3 323.393 2.131 20 10 DECDHN CCOc1ccc(C[NH2+][C@@H](CO)Cc2ccccc2)c([O-])c1 ZINC000775316205 642028260 /nfs/dbraw/zinc/02/82/60/642028260.db2.gz ZFMBYWYLZBLMOM-MRXNPFEDSA-N 0 3 301.386 2.484 20 10 DECDHN CN1CCN(c2ccc(CN3CCOC(C)(C)C3)cc2)CC1 ZINC000775654532 642072583 /nfs/dbraw/zinc/07/25/83/642072583.db2.gz LJDVELVAQNZPLU-UHFFFAOYSA-N 0 3 303.450 2.049 20 10 DECDHN Cc1cc(Cl)cc(CN2CCN(C(C)(C)CO)CC2)c1O ZINC000775703723 642081070 /nfs/dbraw/zinc/08/10/70/642081070.db2.gz WAAAYQGWTHYXNY-UHFFFAOYSA-N 0 3 312.841 2.243 20 10 DECDHN COc1cc(O)c(CNC[C@H](OC)C(F)(F)F)cc1OC ZINC000776175126 642138921 /nfs/dbraw/zinc/13/89/21/642138921.db2.gz VQHZDJVPUPOJAY-LBPRGKRZSA-N 0 3 309.284 2.076 20 10 DECDHN COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000776869741 642213864 /nfs/dbraw/zinc/21/38/64/642213864.db2.gz ZGDKEXDHAMVPKD-JLJPHGGASA-N 0 3 309.406 2.172 20 10 DECDHN COC(=O)CC[N@@H+](Cc1cc(F)ccc1[O-])C[C@H]1CCCO1 ZINC000779021884 642456715 /nfs/dbraw/zinc/45/67/15/642456715.db2.gz ZSQYPODMFMTLGU-CQSZACIVSA-N 0 3 311.353 2.075 20 10 DECDHN COC(=O)CC[N@H+](Cc1cc(F)ccc1[O-])C[C@H]1CCCO1 ZINC000779021884 642456722 /nfs/dbraw/zinc/45/67/22/642456722.db2.gz ZSQYPODMFMTLGU-CQSZACIVSA-N 0 3 311.353 2.075 20 10 DECDHN CCOc1ccc(C[NH2+][C@@]2(CO)C[C@@H](OCC)C2(C)C)c([O-])c1 ZINC000780593264 642647959 /nfs/dbraw/zinc/64/79/59/642647959.db2.gz CXYIBFVSWCZTSV-SJLPKXTDSA-N 0 3 323.433 2.447 20 10 DECDHN Cc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c([O-])c1O ZINC000780887529 642684601 /nfs/dbraw/zinc/68/46/01/642684601.db2.gz QNNQQKDIABIZDI-QWHCGFSZSA-N 0 3 306.406 2.399 20 10 DECDHN Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c([O-])c1O ZINC000780887529 642684607 /nfs/dbraw/zinc/68/46/07/642684607.db2.gz QNNQQKDIABIZDI-QWHCGFSZSA-N 0 3 306.406 2.399 20 10 DECDHN COC[C@@H](C[NH2+]Cc1cc(Br)cc(C)c1[O-])OC ZINC000781529016 642763349 /nfs/dbraw/zinc/76/33/49/642763349.db2.gz ITQNZUIEGSLEBN-GFCCVEGCSA-N 0 3 318.211 2.214 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1)[C@@H](O)CO2 ZINC000842618585 650783777 /nfs/dbraw/zinc/78/37/77/650783777.db2.gz SUVMJXIECHFKNU-MJEQTWJJSA-N 0 3 319.401 2.209 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1)[C@@H](O)CO2 ZINC000842618585 650783779 /nfs/dbraw/zinc/78/37/79/650783779.db2.gz SUVMJXIECHFKNU-MJEQTWJJSA-N 0 3 319.401 2.209 20 10 DECDHN C[C@@H]([NH2+]C[C@@]1(c2cnn(C)c2)CCCO1)c1ccccc1[O-] ZINC000903355816 643325542 /nfs/dbraw/zinc/32/55/42/643325542.db2.gz KJRWEBMLBNYFHB-CXAGYDPISA-N 0 3 301.390 2.482 20 10 DECDHN Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC000903396005 643333402 /nfs/dbraw/zinc/33/34/02/643333402.db2.gz KYENFOKYNZJBFG-QWHCGFSZSA-N 0 3 314.389 2.126 20 10 DECDHN COc1cccc([O-])c1C[NH2+][C@@H](CO)Cc1ccc(C)cc1 ZINC000786166223 643334239 /nfs/dbraw/zinc/33/42/39/643334239.db2.gz VLNBKGVSTWXPDF-OAHLLOKOSA-N 0 3 301.386 2.402 20 10 DECDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c(O)c1 ZINC000903399439 643344038 /nfs/dbraw/zinc/34/40/38/643344038.db2.gz WJEQWIMVMTWJOB-QWHCGFSZSA-N 0 3 314.389 2.126 20 10 DECDHN CN(C)c1ccc([C@@H](CN[C@@H]2CCn3ccnc32)N(C)C)cc1 ZINC000903449147 643355541 /nfs/dbraw/zinc/35/55/41/643355541.db2.gz VSJAYPNXHOZCNR-IAGOWNOFSA-N 0 3 313.449 2.286 20 10 DECDHN COc1ccc(CNCc2c(C)nc3sc(C)nn23)c(O)c1 ZINC000793390823 644244907 /nfs/dbraw/zinc/24/49/07/644244907.db2.gz RBVFBLHOPGFSIQ-UHFFFAOYSA-N 0 3 318.402 2.412 20 10 DECDHN COc1ccc(C[NH2+]Cc2c(C)nc3sc(C)nn23)c([O-])c1 ZINC000793390823 644244908 /nfs/dbraw/zinc/24/49/08/644244908.db2.gz RBVFBLHOPGFSIQ-UHFFFAOYSA-N 0 3 318.402 2.412 20 10 DECDHN COC(=O)[C@H]1[C@@H]2CN(Cc3cc(C(C)(C)C)cc(O)c3O)C[C@@H]21 ZINC000793641487 644282642 /nfs/dbraw/zinc/28/26/42/644282642.db2.gz CXWUWRHVVVMVOO-NHAGDIPZSA-N 0 3 319.401 2.246 20 10 DECDHN CN(C)C1(C(=O)NCc2c(O)ccc3c2CCCC3)CCC1 ZINC000156360163 646415436 /nfs/dbraw/zinc/41/54/36/646415436.db2.gz ZPJIDGOHLSJSJP-UHFFFAOYSA-N 0 3 302.418 2.372 20 10 DECDHN CC[C@H]1CN(C)CCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000816661065 647164547 /nfs/dbraw/zinc/16/45/47/647164547.db2.gz ZZACBXQIHYYOQT-INIZCTEOSA-N 0 3 321.440 2.188 20 10 DECDHN CCCN1C[C@H](C[NH2+]Cc2ccc(OCC)cc2[O-])CC1=O ZINC000817410742 647288033 /nfs/dbraw/zinc/28/80/33/647288033.db2.gz GZMSCYPQVKTOGO-ZDUSSCGKSA-N 0 3 306.406 2.139 20 10 DECDHN COc1ccc(N2CC[C@H](CNCc3cc(C)n(C)n3)C2)cc1 ZINC000818220290 647434787 /nfs/dbraw/zinc/43/47/87/647434787.db2.gz GZPTTXXLBMQCGC-OAHLLOKOSA-N 0 3 314.433 2.353 20 10 DECDHN Cc1ccc(O)c(CNCc2cccc(S(C)(=O)=O)c2)c1 ZINC000824789489 648653234 /nfs/dbraw/zinc/65/32/34/648653234.db2.gz CQXXBTKHLXARKX-UHFFFAOYSA-N 0 3 305.399 2.394 20 10 DECDHN C[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)C[C@H](C)[N@H+]1CCO ZINC000824926477 648673684 /nfs/dbraw/zinc/67/36/84/648673684.db2.gz OVKBPEBUGGOSQH-PHIMTYICSA-N 0 3 316.804 2.072 20 10 DECDHN C[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)C[C@H](C)[N@@H+]1CCO ZINC000824926477 648673687 /nfs/dbraw/zinc/67/36/87/648673687.db2.gz OVKBPEBUGGOSQH-PHIMTYICSA-N 0 3 316.804 2.072 20 10 DECDHN C[C@H](CC(N)=O)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000825046651 648691648 /nfs/dbraw/zinc/69/16/48/648691648.db2.gz WKBCDCYBVYSEAU-CYBMUJFWSA-N 0 3 314.385 2.325 20 10 DECDHN Cc1cc([O-])c(C[NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)cc1Cl ZINC000825247192 648731185 /nfs/dbraw/zinc/73/11/85/648731185.db2.gz OEOFDJFTNWPRED-ZIAGYGMSSA-N 0 3 310.825 2.307 20 10 DECDHN CN(C)c1ccc(CN2CC[C@@H](Cn3ccnn3)C2)cc1F ZINC000826845934 648935668 /nfs/dbraw/zinc/93/56/68/648935668.db2.gz NITSOPGEGUJWNJ-CQSZACIVSA-N 0 3 303.385 2.005 20 10 DECDHN [O-]c1cccc(Cl)c1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000827699544 649071341 /nfs/dbraw/zinc/07/13/41/649071341.db2.gz IKZRYEHQEDRGEY-ZDUSSCGKSA-N 0 3 310.825 2.077 20 10 DECDHN [O-]c1cccc(Cl)c1CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000827699544 649071342 /nfs/dbraw/zinc/07/13/42/649071342.db2.gz IKZRYEHQEDRGEY-ZDUSSCGKSA-N 0 3 310.825 2.077 20 10 DECDHN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](N)Cc2ccccc2)c1 ZINC000828666560 649207698 /nfs/dbraw/zinc/20/76/98/649207698.db2.gz GCUGICKLXFJYQZ-WBMJQRKESA-N 0 3 314.385 2.148 20 10 DECDHN CCN(CC)c1ccc(CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC000847358384 651391594 /nfs/dbraw/zinc/39/15/94/651391594.db2.gz WJSOVGSPDYZHLN-OAHLLOKOSA-N 0 3 303.450 2.491 20 10 DECDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](C)O)c1[O-] ZINC000848514721 651465593 /nfs/dbraw/zinc/46/55/93/651465593.db2.gz PILKFQVGCTTZPT-YUMQZZPRSA-N 0 3 304.184 2.195 20 10 DECDHN C[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848556904 651470790 /nfs/dbraw/zinc/47/07/90/651470790.db2.gz DBMRNURJUGAWDL-NYTXWWLZSA-N 0 3 304.434 2.467 20 10 DECDHN CCC(C)(C)N1CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000848604340 651477825 /nfs/dbraw/zinc/47/78/25/651477825.db2.gz YYXLKVUARIOKGG-UHFFFAOYSA-N 0 3 318.465 2.327 20 10 DECDHN COc1cccc(CN[C@H]2Cc3ccccc3N(C)C2=O)c1O ZINC000850352709 651907932 /nfs/dbraw/zinc/90/79/32/651907932.db2.gz FYWHMJKOPHKEKD-AWEZNQCLSA-N 0 3 312.369 2.078 20 10 DECDHN C[C@@H]([NH2+]CCN1C[C@@H]2CCCCN2C1=O)c1ccccc1[O-] ZINC000850560481 651954108 /nfs/dbraw/zinc/95/41/08/651954108.db2.gz FJLFRWFYKGEYJG-KGLIPLIRSA-N 0 3 303.406 2.333 20 10 DECDHN O=C1C[C@H](C[N@H+](Cc2ccco2)Cc2ccccc2[O-])CN1 ZINC000851840608 652254946 /nfs/dbraw/zinc/25/49/46/652254946.db2.gz INVIBXLOPAFWJU-ZDUSSCGKSA-N 0 3 300.358 2.124 20 10 DECDHN O=C1C[C@H](C[N@@H+](Cc2ccco2)Cc2ccccc2[O-])CN1 ZINC000851840608 652254952 /nfs/dbraw/zinc/25/49/52/652254952.db2.gz INVIBXLOPAFWJU-ZDUSSCGKSA-N 0 3 300.358 2.124 20 10 DECDHN CCO[C@H]1COCC[C@H]1NCc1cc(F)c(N(C)C)cc1F ZINC000858157564 652268428 /nfs/dbraw/zinc/26/84/28/652268428.db2.gz ZUALDYRHISILGB-ZBFHGGJFSA-N 0 3 314.376 2.314 20 10 DECDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000858328523 652308757 /nfs/dbraw/zinc/30/87/57/652308757.db2.gz VVWAMLDIVJMTDQ-GFCCVEGCSA-N 0 3 322.405 2.500 20 10 DECDHN FC(F)(F)Oc1ccc2c(c1)CCCN2C[C@@H]1CNCCO1 ZINC000852745653 652448504 /nfs/dbraw/zinc/44/85/04/652448504.db2.gz ZCBLDLZTIFBYJF-ZDUSSCGKSA-N 0 3 316.323 2.326 20 10 DECDHN COc1ccc(CNC(=O)C[C@@H]2NCc3ccccc32)c(O)c1 ZINC000852826125 652464402 /nfs/dbraw/zinc/46/44/02/652464402.db2.gz QFRAXXPWHGKIGP-INIZCTEOSA-N 0 3 312.369 2.252 20 10 DECDHN CN(C)c1ccc(/C=C/CN2C[C@](C)(CO)[C@](C)(CO)C2)cc1 ZINC000862518986 686313078 /nfs/dbraw/zinc/31/30/78/686313078.db2.gz OHZCHDBQZXTAFC-QCUQMOABSA-N 0 3 318.461 2.079 20 10 DECDHN Cc1cccc(O)c1CN(C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000876734385 689920622 /nfs/dbraw/zinc/92/06/22/689920622.db2.gz FFCTYROYNUDNFY-LBPRGKRZSA-N 0 3 316.323 2.296 20 10 DECDHN COc1cccc(C(=O)NCC[NH2+]Cc2ccc(C)cc2[O-])c1 ZINC000876980517 689989432 /nfs/dbraw/zinc/98/94/32/689989432.db2.gz IFUZJJJTLJKKDK-UHFFFAOYSA-N 0 3 314.385 2.229 20 10 DECDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000877069571 690012123 /nfs/dbraw/zinc/01/21/23/690012123.db2.gz LWFRHPQQDBPPLO-AWEZNQCLSA-N 0 3 300.406 2.193 20 10 DECDHN Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)c([O-])c1 ZINC000877110861 690020276 /nfs/dbraw/zinc/02/02/76/690020276.db2.gz FEJVTWJBPJZIRU-IAGOWNOFSA-N 0 3 304.434 2.434 20 10 DECDHN Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)c([O-])c1 ZINC000877518525 690138187 /nfs/dbraw/zinc/13/81/87/690138187.db2.gz UWIPJLWDVUTBHG-INIZCTEOSA-N 0 3 317.433 2.470 20 10 DECDHN Cc1ccc(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)c([O-])c1 ZINC000877553271 690149949 /nfs/dbraw/zinc/14/99/49/690149949.db2.gz MKMFUUBUHNFNQQ-QGZVFWFLSA-N 0 3 305.418 2.358 20 10 DECDHN CN(C)c1cc(F)c(CN2CCC3(CCNC3=O)CC2)cc1F ZINC000877782257 690227104 /nfs/dbraw/zinc/22/71/04/690227104.db2.gz POVBDQOFKKCTTK-UHFFFAOYSA-N 0 3 323.387 2.133 20 10 DECDHN CCn1cc([C@@H](C)NCc2ccc(OC)c(OC)c2O)cn1 ZINC000894764818 692987764 /nfs/dbraw/zinc/98/77/64/692987764.db2.gz VRFCZXWZDKGMKD-LLVKDONJSA-N 0 3 305.378 2.477 20 10 DECDHN C[C@H]1[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CCN1C ZINC000925328133 693257227 /nfs/dbraw/zinc/25/72/27/693257227.db2.gz UXIMIKXSDFMSDM-LRDDRELGSA-N 0 3 317.433 2.163 20 10 DECDHN O=c1[nH]cccc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC001332998763 1149951274 /nfs/dbraw/zinc/95/12/74/1149951274.db2.gz AFCAZILAMGTKRH-UHFFFAOYSA-N 0 3 313.401 2.038 20 10 DECDHN Cc1cc2c(cc1N1CCCc3ccc(CN)nc31)CC(=O)N2 ZINC001169590281 785250099 /nfs/dbraw/zinc/25/00/99/785250099.db2.gz DRUJVGNSTSKYES-UHFFFAOYSA-N 0 3 308.385 2.428 20 10 DECDHN CCOC(=O)N1CCC[C@H]([NH2+]Cc2cccc(O)c2[O-])CC1 ZINC001169661629 785292011 /nfs/dbraw/zinc/29/20/11/785292011.db2.gz KKWXDQIQMZRFOL-ZDUSSCGKSA-N 0 3 308.378 2.198 20 10 DECDHN CN(C)c1cc(F)c(CNC[C@@H](CO)c2cccnc2)cc1F ZINC001118804140 795228160 /nfs/dbraw/zinc/22/81/60/795228160.db2.gz ZNYNOEADPRYXAU-AWEZNQCLSA-N 0 3 321.371 2.292 20 10 DECDHN CC(=O)N1CCCN(Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138354678 796204337 /nfs/dbraw/zinc/20/43/37/796204337.db2.gz PRHVWZFWKXUYHW-UHFFFAOYSA-N 0 3 301.434 2.123 20 10 DECDHN O=C(NC1CC[NH+](Cc2cc(F)ccc2[O-])CC1)N1CCCC1 ZINC001140060420 796472322 /nfs/dbraw/zinc/47/23/22/796472322.db2.gz VJMUPIXENUBFBT-UHFFFAOYSA-N 0 3 321.396 2.301 20 10 DECDHN CCN1CCN(c2ccc(CN3CCOCC34CC4)cc2)CC1 ZINC001140305692 796503430 /nfs/dbraw/zinc/50/34/30/796503430.db2.gz GMQUMYWXXLAHMG-UHFFFAOYSA-N 0 3 315.461 2.193 20 10 DECDHN CCN(Cc1ccc(N2CCOCC2)cc1F)CC(C)(C)O ZINC001140664673 796552842 /nfs/dbraw/zinc/55/28/42/796552842.db2.gz OFSKGRQCRNTBJT-UHFFFAOYSA-N 0 3 310.413 2.255 20 10 DECDHN COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141029323 796621255 /nfs/dbraw/zinc/62/12/55/796621255.db2.gz PRFLWHLODVBAPH-NEPJUHHUSA-N 0 3 323.389 2.040 20 10 DECDHN COC(=O)[C@H]1C[C@@H](C)C[N@@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141029323 796621256 /nfs/dbraw/zinc/62/12/56/796621256.db2.gz PRFLWHLODVBAPH-NEPJUHHUSA-N 0 3 323.389 2.040 20 10 DECDHN [O-]c1ccccc1C[NH+]1C[C@@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001203552071 800078884 /nfs/dbraw/zinc/07/88/84/800078884.db2.gz ZATXOYSUKBDMRF-ROUUACIJSA-N 0 3 309.413 2.351 20 10 DECDHN COc1ccc(C[NH+]2CCC(Oc3ncccn3)CC2)c([O-])c1 ZINC001203627749 800094688 /nfs/dbraw/zinc/09/46/88/800094688.db2.gz MWFJUPYBVQNTBH-UHFFFAOYSA-N 0 3 315.373 2.234 20 10 DECDHN COc1ccc(CN2CCC(Oc3ncccn3)CC2)c(O)c1 ZINC001203627749 800094697 /nfs/dbraw/zinc/09/46/97/800094697.db2.gz MWFJUPYBVQNTBH-UHFFFAOYSA-N 0 3 315.373 2.234 20 10 DECDHN COc1ccc(C[N@@H+]2CC[C@H](Oc3ncc(C)cn3)C2)c([O-])c1 ZINC001203635199 800096590 /nfs/dbraw/zinc/09/65/90/800096590.db2.gz OLVDZJHPUNHNIQ-HNNXBMFYSA-N 0 3 315.373 2.153 20 10 DECDHN COc1ccc(C[N@H+]2CC[C@H](Oc3ncc(C)cn3)C2)c([O-])c1 ZINC001203635199 800096596 /nfs/dbraw/zinc/09/65/96/800096596.db2.gz OLVDZJHPUNHNIQ-HNNXBMFYSA-N 0 3 315.373 2.153 20 10 DECDHN Oc1ccc(Br)cc1CN1CC(N2CCCC2)C1 ZINC001203642836 800098308 /nfs/dbraw/zinc/09/83/08/800098308.db2.gz OKSNEZUHQRYBRB-UHFFFAOYSA-N 0 3 311.223 2.435 20 10 DECDHN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCN2C(C)C)c1 ZINC000934941403 800505571 /nfs/dbraw/zinc/50/55/71/800505571.db2.gz XJPPJKVWKXJGAW-WFASDCNBSA-N 0 3 306.406 2.451 20 10 DECDHN COc1cc(C)c(C[NH+]2CCC3(CCNC(=O)O3)CC2)c([O-])c1 ZINC001207700569 800811259 /nfs/dbraw/zinc/81/12/59/800811259.db2.gz REMKUFKRQQNEFN-UHFFFAOYSA-N 0 3 320.389 2.174 20 10 DECDHN Cc1cnc(N2CCN(Cc3c(C)cc(C)cc3O)CC2)nc1 ZINC001231850418 801737182 /nfs/dbraw/zinc/73/71/82/801737182.db2.gz OZGHEIHECWCMTL-UHFFFAOYSA-N 0 3 312.417 2.430 20 10 DECDHN COc1cc(N(C)C)ccc1CN(C)[C@H]1CCCN(C(C)=O)C1 ZINC001231854217 801739188 /nfs/dbraw/zinc/73/91/88/801739188.db2.gz BDEHSDBPAOIWOL-KRWDZBQOSA-N 0 3 319.449 2.204 20 10 DECDHN C[C@]1(O)CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232194260 801813329 /nfs/dbraw/zinc/81/33/29/801813329.db2.gz GXCAOIAETDGUHL-INIZCTEOSA-N 0 3 310.825 2.133 20 10 DECDHN Cc1c[nH]c(=O)c(CN2CCCc3cc(O)c(O)cc3C2)c1 ZINC001233193717 802045961 /nfs/dbraw/zinc/04/59/61/802045961.db2.gz HJZSEIZJDFOWBF-UHFFFAOYSA-N 0 3 300.358 2.455 20 10 DECDHN CN(Cc1cc(O)c(O)cc1O)C[C@H]1Cc2ccccc2O1 ZINC001233487408 802128565 /nfs/dbraw/zinc/12/85/65/802128565.db2.gz CDFYZCVUYCQRDB-CYBMUJFWSA-N 0 3 301.342 2.239 20 10 DECDHN COc1cc(CN2CC(C)(C(N)=O)C2)c(O)c(C(C)(C)C)c1 ZINC001328761577 1148832193 /nfs/dbraw/zinc/83/21/93/1148832193.db2.gz FVQKUZJDFPMPRD-UHFFFAOYSA-N 0 3 306.406 2.006 20 10 DECDHN C[C@@H]([NH2+]C1CCC2(CS(=O)(=O)C2)CC1)c1ccccc1[O-] ZINC001462514097 1058845520 /nfs/dbraw/zinc/84/55/20/1058845520.db2.gz XJFCRXDXSSBMNC-GFCCVEGCSA-N 0 3 309.431 2.400 20 10 DECDHN COc1cc(C)c(C[NH+]2CCC(Cn3cnnc3)CC2)c([O-])c1 ZINC001621427462 1078174015 /nfs/dbraw/zinc/17/40/15/1078174015.db2.gz LTRNJMBWLGQDJY-UHFFFAOYSA-N 0 3 316.405 2.213 20 10 DECDHN COc1ccc2c(c1)CCN2Cc1nc2c(s1)CNCC2 ZINC001579243788 1067271571 /nfs/dbraw/zinc/27/15/71/1067271571.db2.gz PBKFVRLKBOXTRA-UHFFFAOYSA-N 0 3 301.415 2.360 20 10 DECDHN CC[C@H](C)N1CC[C@]2(CCCN2Cc2cc(O)ccc2O)C1=O ZINC001272385552 1078845957 /nfs/dbraw/zinc/84/59/57/1078845957.db2.gz BYGIDYNHOGTFDN-SCLBCKFNSA-N 0 3 318.417 2.463 20 10 DECDHN COc1ccc(N2CC[C@H](CNC(=O)[C@H](N)C(C)(C)C)C2)cc1 ZINC001574035405 1069146666 /nfs/dbraw/zinc/14/66/66/1069146666.db2.gz QWNMCVHNCKVHMD-CJNGLKHVSA-N 0 3 319.449 2.011 20 10 DECDHN Cc1cc([O-])c(CN2C[C@H]3CC[C@]3([NH3+])C2)cc1Br ZINC001235995604 1079070932 /nfs/dbraw/zinc/07/09/32/1079070932.db2.gz VIXIZCGFLGZJPG-RISCZKNCSA-N 0 3 311.223 2.386 20 10 DECDHN O=C1C[C@@H](NCc2ccc(N3CCCC3)cc2)CN1CC1CC1 ZINC001651477444 1079813821 /nfs/dbraw/zinc/81/38/21/1079813821.db2.gz WFMXQVFKJNROQH-QGZVFWFLSA-N 0 3 313.445 2.387 20 10 DECDHN COc1cc(C)c(C[NH+]2CCC(Cn3ccnn3)CC2)c([O-])c1 ZINC001657376161 1080171447 /nfs/dbraw/zinc/17/14/47/1080171447.db2.gz KZXGURQWAFNWJG-UHFFFAOYSA-N 0 3 316.405 2.213 20 10 DECDHN Cc1ccc(C[NH2+]C23CC(C(=O)NCC(F)F)(C2)C3)c([O-])c1 ZINC001277569281 1084040064 /nfs/dbraw/zinc/04/00/64/1084040064.db2.gz WWQFWEZBPXJLFE-UHFFFAOYSA-N 0 3 310.344 2.094 20 10 DECDHN Cc1cc(CN2C[C@@H]3COC[C@H](C2)N3)c(C)n1-c1ccccc1 ZINC001235298123 1084376145 /nfs/dbraw/zinc/37/61/45/1084376145.db2.gz JPSLNKARAABBSE-HDICACEKSA-N 0 3 311.429 2.267 20 10 DECDHN CC[C@@H](C)N1CC[C@@]2(CCCN2Cc2ccc(O)cc2O)C1=O ZINC001272982108 1085777241 /nfs/dbraw/zinc/77/72/41/1085777241.db2.gz FJXFERDHTJMKLH-ACJLOTCBSA-N 0 3 318.417 2.463 20 10 DECDHN CC(C)NC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1O ZINC001275267705 1091645255 /nfs/dbraw/zinc/64/52/55/1091645255.db2.gz VYWLOTBLRWERBF-GASCZTMLSA-N 0 3 303.406 2.159 20 10 DECDHN Cc1ccc(CN2CC[C@H]3C[C@]32C(=O)N2CCCCO2)c(O)c1 ZINC001277566494 1138330453 /nfs/dbraw/zinc/33/04/53/1138330453.db2.gz JVCCSODFHDMUDK-MAUKXSAKSA-N 0 3 316.401 2.219 20 10 DECDHN COc1cc([O-])c(CN2CCC[C@@H]2C[NH3+])cc1Br ZINC001236250623 1138344270 /nfs/dbraw/zinc/34/42/70/1138344270.db2.gz IQUKHUGZTNQWOW-SNVBAGLBSA-N 0 3 315.211 2.086 20 10 DECDHN COC(=O)C[C@H]1CCCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC001236757504 1138413295 /nfs/dbraw/zinc/41/32/95/1138413295.db2.gz MEMUKSSUCMCJSH-GFCCVEGCSA-N 0 3 323.389 2.185 20 10 DECDHN COC(=O)C[C@@H]1CCCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC001236757509 1138413696 /nfs/dbraw/zinc/41/36/96/1138413696.db2.gz MEMUKSSUCMCJSH-LBPRGKRZSA-N 0 3 323.389 2.185 20 10 DECDHN Cc1cccc([O-])c1C[N@H+]1C[C@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001237486885 1138654122 /nfs/dbraw/zinc/65/41/22/1138654122.db2.gz VFKMUWGQQIGLOM-GASCZTMLSA-N 0 3 310.401 2.059 20 10 DECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001237486885 1138654130 /nfs/dbraw/zinc/65/41/30/1138654130.db2.gz VFKMUWGQQIGLOM-GASCZTMLSA-N 0 3 310.401 2.059 20 10 DECDHN C[C@@H]([NH2+]CCN1C(=O)COc2ccccc21)c1ccccc1[O-] ZINC001323681047 1141876588 /nfs/dbraw/zinc/87/65/88/1141876588.db2.gz KRJMMIORDYRENP-CYBMUJFWSA-N 0 3 312.369 2.468 20 10 DECDHN Cc1cc(C[N@@H+]2CC[C@H](CO)C2)c([O-])cc1Br ZINC001250129136 1142086672 /nfs/dbraw/zinc/08/66/72/1142086672.db2.gz YQTYXJMJMCDQCE-JTQLQIEISA-N 0 3 300.196 2.277 20 10 DECDHN Cc1cc(C[N@H+]2CC[C@H](CO)C2)c([O-])cc1Br ZINC001250129136 1142086681 /nfs/dbraw/zinc/08/66/81/1142086681.db2.gz YQTYXJMJMCDQCE-JTQLQIEISA-N 0 3 300.196 2.277 20 10 DECDHN C[N@@H+]1C[C@@]23CN(C(=O)c4cccc(O)c4[O-])C[C@]2(C1)CCCC3 ZINC001336824274 1142585549 /nfs/dbraw/zinc/58/55/49/1142585549.db2.gz VVXZZVURCPTHLK-HDICACEKSA-N 0 3 316.401 2.046 20 10 DECDHN C[N@H+]1C[C@@]23CN(C(=O)c4cccc(O)c4[O-])C[C@]2(C1)CCCC3 ZINC001336824274 1142585561 /nfs/dbraw/zinc/58/55/61/1142585561.db2.gz VVXZZVURCPTHLK-HDICACEKSA-N 0 3 316.401 2.046 20 10 DECDHN CC(C)[N@@H+]1CC[C@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC001339909501 1143173954 /nfs/dbraw/zinc/17/39/54/1143173954.db2.gz ZAPILOSIXNMHBK-GFCCVEGCSA-N 0 3 309.385 2.061 20 10 DECDHN CC(C)[N@H+]1CC[C@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC001339909501 1143173972 /nfs/dbraw/zinc/17/39/72/1143173972.db2.gz ZAPILOSIXNMHBK-GFCCVEGCSA-N 0 3 309.385 2.061 20 10 DECDHN O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(O)cc1[O-])C2 ZINC001254574394 1143257282 /nfs/dbraw/zinc/25/72/82/1143257282.db2.gz GSZKDWJUECAEFY-CYBMUJFWSA-N 0 3 300.314 2.263 20 10 DECDHN Cc1cc(C(=O)NC[C@H](C)N(C)C)c(C)n1-c1ccccn1 ZINC000063732475 354654952 /nfs/dbraw/zinc/65/49/52/354654952.db2.gz JFJLKBZATNYVOV-ZDUSSCGKSA-N 0 3 300.406 2.169 20 10 DECDHN [O-]c1cc2c(cc1C[NH2+]C[C@H](O)CCc1ccccc1)OCO2 ZINC000273047512 130084778 /nfs/dbraw/zinc/08/47/78/130084778.db2.gz BUNFPEQOVVBEAC-OAHLLOKOSA-N 0 3 315.369 2.204 20 10 DECDHN Cc1ccc(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c([O-])c1O ZINC000273053148 130086245 /nfs/dbraw/zinc/08/62/45/130086245.db2.gz XBONFXGUWQETFG-GFCCVEGCSA-N 0 3 306.406 2.209 20 10 DECDHN Oc1ccccc1CNCc1ccncc1OC[C@@H]1CCOC1 ZINC000288555571 131330052 /nfs/dbraw/zinc/33/00/52/131330052.db2.gz YFMTYKSVOCTWCZ-CQSZACIVSA-N 0 3 314.385 2.492 20 10 DECDHN Oc1ccccc1CNCc1ccncc1OC[C@H]1CCOC1 ZINC000288555567 131330345 /nfs/dbraw/zinc/33/03/45/131330345.db2.gz YFMTYKSVOCTWCZ-AWEZNQCLSA-N 0 3 314.385 2.492 20 10 DECDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)CN(C)C1CC1 ZINC000289496032 131390919 /nfs/dbraw/zinc/39/09/19/131390919.db2.gz ZNUNGHQGOYNQNY-QGZVFWFLSA-N 0 3 306.450 2.449 20 10 DECDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H](O)CN(C)C1CC1 ZINC000289496032 131390920 /nfs/dbraw/zinc/39/09/20/131390920.db2.gz ZNUNGHQGOYNQNY-QGZVFWFLSA-N 0 3 306.450 2.449 20 10 DECDHN CCN(CCNC(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000101934874 402158359 /nfs/dbraw/zinc/15/83/59/402158359.db2.gz MORGMCNSGRLJLD-UHFFFAOYSA-N 0 3 304.438 2.036 20 10 DECDHN CCOC(=O)N1CC[C@@H]([NH2+]Cc2cccc(OCC)c2[O-])C1 ZINC000185793358 402377912 /nfs/dbraw/zinc/37/79/12/402377912.db2.gz NHMSNAGEGHOTDZ-CYBMUJFWSA-N 0 3 308.378 2.111 20 10 DECDHN COc1ccc([O-])c(C[NH2+]CCNC(=O)c2ccc(C)cc2)c1 ZINC000237204236 402399328 /nfs/dbraw/zinc/39/93/28/402399328.db2.gz WRELWYMRSXWMGQ-UHFFFAOYSA-N 0 3 314.385 2.229 20 10 DECDHN COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1[O-])CC2 ZINC000186103256 402401912 /nfs/dbraw/zinc/40/19/12/402401912.db2.gz KCRIIOFTVVVEBZ-STQMWFEESA-N 0 3 316.405 2.104 20 10 DECDHN C[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1cc(F)ccc1[O-] ZINC000186375813 402426381 /nfs/dbraw/zinc/42/63/81/402426381.db2.gz VPJHRKJFBJYHQK-WCQYABFASA-N 0 3 311.353 2.104 20 10 DECDHN CCOc1ccc([O-])c(C[NH2+][C@@]2(CO)C[C@H](OCC)C2(C)C)c1 ZINC000186591784 402445603 /nfs/dbraw/zinc/44/56/03/402445603.db2.gz XFLAVIBHYHCHKP-FUHWJXTLSA-N 0 3 323.433 2.447 20 10 DECDHN CC[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)N1CCOCC1 ZINC000165070644 402472749 /nfs/dbraw/zinc/47/27/49/402472749.db2.gz YGQDFCKKYATBSK-WMLDXEAASA-N 0 3 319.449 2.041 20 10 DECDHN CCN(CC)c1ccc(CNC(=O)[C@H](N)CCSC)cc1 ZINC000178712646 402529715 /nfs/dbraw/zinc/52/97/15/402529715.db2.gz BAQFENDSJALJRM-OAHLLOKOSA-N 0 3 309.479 2.229 20 10 DECDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000172961063 402681085 /nfs/dbraw/zinc/68/10/85/402681085.db2.gz VTPKJFHYSDBNMN-INIZCTEOSA-N 0 3 312.413 2.452 20 10 DECDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000172961063 402681087 /nfs/dbraw/zinc/68/10/87/402681087.db2.gz VTPKJFHYSDBNMN-INIZCTEOSA-N 0 3 312.413 2.452 20 10 DECDHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)N1CCCCCC1 ZINC000183421730 402765842 /nfs/dbraw/zinc/76/58/42/402765842.db2.gz OMUYNRDVXOCOCM-KGLIPLIRSA-N 0 3 320.433 2.410 20 10 DECDHN N[C@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000195171418 402834761 /nfs/dbraw/zinc/83/47/61/402834761.db2.gz DCSIHYQNVVVFKZ-LJQANCHMSA-N 0 3 323.440 2.473 20 10 DECDHN COc1ccc(O)c(CN2CCN(C3CCOCC3)C[C@H]2C)c1 ZINC000278607955 402868966 /nfs/dbraw/zinc/86/89/66/402868966.db2.gz JHVCMHNHLMYQHM-CQSZACIVSA-N 0 3 320.433 2.086 20 10 DECDHN Cc1cccc(C[N@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)c1[O-] ZINC000271878167 402885002 /nfs/dbraw/zinc/88/50/02/402885002.db2.gz UHVIRGBZMYAKHR-DOTOQJQBSA-N 0 3 315.417 2.380 20 10 DECDHN Cc1cccc(C[N@@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)c1[O-] ZINC000271878167 402885003 /nfs/dbraw/zinc/88/50/03/402885003.db2.gz UHVIRGBZMYAKHR-DOTOQJQBSA-N 0 3 315.417 2.380 20 10 DECDHN COc1ccc(O)c(CN2C[C@@H](C)OC3(CCOCC3)C2)c1 ZINC000280547672 403011893 /nfs/dbraw/zinc/01/18/93/403011893.db2.gz TUGGHXGNXFIYOB-CYBMUJFWSA-N 0 3 307.390 2.171 20 10 DECDHN CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(C)cc1[O-] ZINC000280196262 402974401 /nfs/dbraw/zinc/97/44/01/402974401.db2.gz SOSRQGCCINKYIA-LLVKDONJSA-N 0 3 304.312 2.420 20 10 DECDHN CC(C)[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)N(C)C ZINC000268353655 403076029 /nfs/dbraw/zinc/07/60/29/403076029.db2.gz MAPJSVKSNNWXQV-QGZVFWFLSA-N 0 3 303.450 2.489 20 10 DECDHN OC[C@H](C[C@@H](O)c1ccccc1)NCc1ccc2c(c1)CCO2 ZINC000269978831 403178331 /nfs/dbraw/zinc/17/83/31/403178331.db2.gz ZTSCGYTYXWJQFK-ZWKOTPCHSA-N 0 3 313.397 2.196 20 10 DECDHN CN(C)c1ccc(CN2CCC[C@H](Cn3ccnn3)C2)cc1F ZINC000271235894 403282451 /nfs/dbraw/zinc/28/24/51/403282451.db2.gz AWDCLCPYFHNINU-HNNXBMFYSA-N 0 3 317.412 2.395 20 10 DECDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c([O-])c1 ZINC000294002877 403621166 /nfs/dbraw/zinc/62/11/66/403621166.db2.gz CTYBRMGYYDYUBH-KBPBESRZSA-N 0 3 311.447 2.484 20 10 DECDHN Cn1nccc1N1CCC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000296626103 404311104 /nfs/dbraw/zinc/31/11/04/404311104.db2.gz ZNWJNLXQMBREPW-GJZGRUSLSA-N 0 3 312.417 2.372 20 10 DECDHN CC(C)CC[C@@H](N)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000638134907 406587865 /nfs/dbraw/zinc/58/78/65/406587865.db2.gz XBLSHEAQKNCQCS-CQSZACIVSA-N 0 3 305.422 2.242 20 10 DECDHN CCOc1ccc(C[NH2+][C@@H]2Cc3ccccc3NC2=O)c([O-])c1 ZINC000527802610 406756105 /nfs/dbraw/zinc/75/61/05/406756105.db2.gz XUUCGLZSDVXMAU-MRXNPFEDSA-N 0 3 312.369 2.444 20 10 DECDHN COc1cc(O)c(CN2CCN3CCCC[C@H]3C2)cc1OC ZINC000245642369 225220409 /nfs/dbraw/zinc/22/04/09/225220409.db2.gz DTEJOIKJFORHGR-AWEZNQCLSA-N 0 3 306.406 2.080 20 10 DECDHN Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2Cc2ccccc2[O-])cn1 ZINC000374889570 227141071 /nfs/dbraw/zinc/14/10/71/227141071.db2.gz CCMGKAIQFSGQKS-WBVHZDCISA-N 0 3 301.390 2.214 20 10 DECDHN Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2Cc2ccccc2[O-])cn1 ZINC000374889570 227141076 /nfs/dbraw/zinc/14/10/76/227141076.db2.gz CCMGKAIQFSGQKS-WBVHZDCISA-N 0 3 301.390 2.214 20 10 DECDHN COc1ccc(O)c(CN2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000369461822 534200669 /nfs/dbraw/zinc/20/06/69/534200669.db2.gz FNAJQHGAOYJYRA-MRXNPFEDSA-N 0 3 300.358 2.449 20 10 DECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000369461822 534200678 /nfs/dbraw/zinc/20/06/78/534200678.db2.gz FNAJQHGAOYJYRA-MRXNPFEDSA-N 0 3 300.358 2.449 20 10 DECDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000369461822 534200687 /nfs/dbraw/zinc/20/06/87/534200687.db2.gz FNAJQHGAOYJYRA-MRXNPFEDSA-N 0 3 300.358 2.449 20 10 DECDHN [O-]c1ccccc1C[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000378370130 534456242 /nfs/dbraw/zinc/45/62/42/534456242.db2.gz MRGWCXDIXHMFOZ-UHFFFAOYSA-N 0 3 304.434 2.327 20 10 DECDHN CCN(Cc1ccccc1)c1ccc(CNC(CO)CO)cc1 ZINC000266176831 521376630 /nfs/dbraw/zinc/37/66/30/521376630.db2.gz TXXVAUPIJCFAOP-UHFFFAOYSA-N 0 3 314.429 2.156 20 10 DECDHN COc1cc(O)c(CN2CCN(C3CCCC3)CC2)cc1OC ZINC000159746696 522772162 /nfs/dbraw/zinc/77/21/62/522772162.db2.gz LYKSBVJSFNQLSM-UHFFFAOYSA-N 0 3 320.433 2.470 20 10 DECDHN CN(CCNC(=O)NCc1c(O)ccc2c1CCCC2)C1CC1 ZINC000266806475 522852849 /nfs/dbraw/zinc/85/28/49/522852849.db2.gz JNIMNFCCPDPVSV-UHFFFAOYSA-N 0 3 317.433 2.164 20 10 DECDHN Cc1cccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1[O-] ZINC000375015059 534712583 /nfs/dbraw/zinc/71/25/83/534712583.db2.gz CAFBDXBHQLFGDZ-FUHWJXTLSA-N 0 3 317.477 2.158 20 10 DECDHN Cc1cccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1[O-] ZINC000375015059 534712593 /nfs/dbraw/zinc/71/25/93/534712593.db2.gz CAFBDXBHQLFGDZ-FUHWJXTLSA-N 0 3 317.477 2.158 20 10 DECDHN CN1CCC[C@@H]1CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000266830305 523826061 /nfs/dbraw/zinc/82/60/61/523826061.db2.gz ZHHAZEVUDSSLKI-CQSZACIVSA-N 0 3 317.433 2.164 20 10 DECDHN Cc1cccc(CN(C)CCN2C(=O)c3ccccc3C2=O)c1O ZINC000180619494 524376427 /nfs/dbraw/zinc/37/64/27/524376427.db2.gz OLJFFLHTKQJISK-UHFFFAOYSA-N 0 3 324.380 2.429 20 10 DECDHN C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2O)CN1C1CC1 ZINC000130694848 524797057 /nfs/dbraw/zinc/79/70/57/524797057.db2.gz ASZPGXIJGABGPY-GXTWGEPZSA-N 0 3 303.406 2.159 20 10 DECDHN C[C@@](O)(C[NH2+]Cc1cc2c(cc1[O-])OCO2)c1ccccc1 ZINC000114508534 525773672 /nfs/dbraw/zinc/77/36/72/525773672.db2.gz MBGYJUSSZVYMQQ-QGZVFWFLSA-N 0 3 301.342 2.118 20 10 DECDHN Cc1ccc(C(=O)NCc2cccc(C[NH+](C)C)c2)c([O-])c1O ZINC000181839000 526186506 /nfs/dbraw/zinc/18/65/06/526186506.db2.gz XDXONTIEBQKKJS-UHFFFAOYSA-N 0 3 314.385 2.398 20 10 DECDHN CN(C)c1ccc(/C=C\CNCC(C)(C)S(C)(=O)=O)cc1 ZINC000835041652 649870363 /nfs/dbraw/zinc/87/03/63/649870363.db2.gz CSGHREADYDANRX-SREVYHEPSA-N 0 3 310.463 2.179 20 10 DECDHN CN(C)c1ccc(/C=C/CN(C)[C@@H]2CCN3CCO[C@H]2C3)cc1 ZINC000835054995 649872761 /nfs/dbraw/zinc/87/27/61/649872761.db2.gz PBTBCTFMTXXJJQ-HKVCONOFSA-N 0 3 315.461 2.171 20 10 DECDHN C[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)C[C@H](C)N1CCO ZINC000835055707 649872847 /nfs/dbraw/zinc/87/28/47/649872847.db2.gz YAHGMDNLCNVWPU-WZDWLKHJSA-N 0 3 317.477 2.153 20 10 DECDHN O=S(=O)(c1ccccc1)C1CC([NH2+]Cc2ccccc2[O-])C1 ZINC000892792697 625606629 /nfs/dbraw/zinc/60/66/29/625606629.db2.gz UAAKCHMJQIPBNI-UHFFFAOYSA-N 0 3 317.410 2.487 20 10 DECDHN CCO[C@@H](CC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251157 623797771 /nfs/dbraw/zinc/79/77/71/623797771.db2.gz AENUGBGCUTXDOJ-SJORKVTESA-N 0 3 321.465 2.287 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)c2cccnc2)N(C)C)cc1 ZINC000891256948 623803554 /nfs/dbraw/zinc/80/35/54/623803554.db2.gz CDWCBYOVWWPKBJ-QGZVFWFLSA-N 0 3 312.417 2.180 20 10 DECDHN COC(=O)CC[N@H+](Cc1ccc(OC)c(OC)c1[O-])C(C)C ZINC000892036545 624754824 /nfs/dbraw/zinc/75/48/24/624754824.db2.gz NDERBHDGCGSWTL-UHFFFAOYSA-N 0 3 311.378 2.183 20 10 DECDHN COC(=O)CC[N@@H+](Cc1ccc(OC)c(OC)c1[O-])C(C)C ZINC000892036545 624754825 /nfs/dbraw/zinc/75/48/25/624754825.db2.gz NDERBHDGCGSWTL-UHFFFAOYSA-N 0 3 311.378 2.183 20 10 DECDHN Cc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)c([O-])c1O ZINC000177674174 625058263 /nfs/dbraw/zinc/05/82/63/625058263.db2.gz RANLGQMFAXPQLM-GFCCVEGCSA-N 0 3 306.406 2.258 20 10 DECDHN C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)C2CC2)c2c1c(F)ccc2[O-] ZINC000840884606 625192914 /nfs/dbraw/zinc/19/29/14/625192914.db2.gz RWDDMPYLTDKYEQ-JOYOIKCWSA-N 0 3 313.394 2.246 20 10 DECDHN COc1ccc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)c([O-])c1OC ZINC000893409497 633510705 /nfs/dbraw/zinc/51/07/05/633510705.db2.gz RSPREDCOVPJCRF-JSGCOSHPSA-N 0 3 309.406 2.392 20 10 DECDHN COc1ccc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)c([O-])c1OC ZINC000893409497 633510709 /nfs/dbraw/zinc/51/07/09/633510709.db2.gz RSPREDCOVPJCRF-JSGCOSHPSA-N 0 3 309.406 2.392 20 10 DECDHN C[C@H](NCc1cnc2n1CCOC2)c1ccc(N(C)C)cc1 ZINC000922014115 635808188 /nfs/dbraw/zinc/80/81/88/635808188.db2.gz FXVYZNCFJNEJTJ-ZDUSSCGKSA-N 0 3 300.406 2.330 20 10 DECDHN CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000922465704 636188444 /nfs/dbraw/zinc/18/84/44/636188444.db2.gz GCKLMCCSEWPDGE-LBPRGKRZSA-N 0 3 309.385 2.205 20 10 DECDHN CCC[N@H+]1CCC[C@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000922465704 636188446 /nfs/dbraw/zinc/18/84/46/636188446.db2.gz GCKLMCCSEWPDGE-LBPRGKRZSA-N 0 3 309.385 2.205 20 10 DECDHN CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000922510675 636211174 /nfs/dbraw/zinc/21/11/74/636211174.db2.gz OVAGYPWWRWBQIP-LBPRGKRZSA-N 0 3 311.401 2.451 20 10 DECDHN CCCC[N@@H+](C)C[C@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000922510675 636211180 /nfs/dbraw/zinc/21/11/80/636211180.db2.gz OVAGYPWWRWBQIP-LBPRGKRZSA-N 0 3 311.401 2.451 20 10 DECDHN COC(=O)c1c(CN[C@H]2CCCOC2)c2cc(F)ccc2n1C ZINC000894229005 636506336 /nfs/dbraw/zinc/50/63/36/636506336.db2.gz DWOLHOIOHRGWOJ-LBPRGKRZSA-N 0 3 320.364 2.373 20 10 DECDHN COc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)NCC(F)(F)F)c1 ZINC000756480773 636818442 /nfs/dbraw/zinc/81/84/42/636818442.db2.gz ZOLLUTVZJFBVDS-IUCAKERBSA-N 0 3 320.311 2.118 20 10 DECDHN C[C@@H]1CN(C(=O)NCCCSc2nccs2)[C@@H](C)CN1 ZINC000841856597 636929419 /nfs/dbraw/zinc/92/94/19/636929419.db2.gz JZCVEAUGSSLKBE-MNOVXSKESA-N 0 3 314.480 2.017 20 10 DECDHN COc1cc(C)cc(CNCc2cccc(N(C)C)n2)c1O ZINC000894360050 636939414 /nfs/dbraw/zinc/93/94/14/636939414.db2.gz TVTWXIXFOCHWQA-UHFFFAOYSA-N 0 3 301.390 2.460 20 10 DECDHN CC(C)C[N@H+](C)CCCNC(=O)NCc1c([O-])cccc1F ZINC000923061771 636943885 /nfs/dbraw/zinc/94/38/85/636943885.db2.gz XIVJEEAPBBWBCK-UHFFFAOYSA-N 0 3 311.401 2.308 20 10 DECDHN CC(C)C[N@@H+](C)CCCNC(=O)NCc1c([O-])cccc1F ZINC000923061771 636943886 /nfs/dbraw/zinc/94/38/86/636943886.db2.gz XIVJEEAPBBWBCK-UHFFFAOYSA-N 0 3 311.401 2.308 20 10 DECDHN CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](Cc3c([O-])cccc3OC)C[C@@H]21 ZINC000896448064 638528536 /nfs/dbraw/zinc/52/85/36/638528536.db2.gz AYKRGZRWMRLARU-BFQNTYOBSA-N 0 3 305.374 2.032 20 10 DECDHN CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](Cc3c([O-])cccc3OC)C[C@@H]21 ZINC000896448064 638528551 /nfs/dbraw/zinc/52/85/51/638528551.db2.gz AYKRGZRWMRLARU-BFQNTYOBSA-N 0 3 305.374 2.032 20 10 DECDHN CCOC(=O)[C@@H]1[C@@H]2CCN(Cc3c(O)cccc3OC)C[C@@H]21 ZINC000896448064 638528557 /nfs/dbraw/zinc/52/85/57/638528557.db2.gz AYKRGZRWMRLARU-BFQNTYOBSA-N 0 3 305.374 2.032 20 10 DECDHN COc1ccc(CNCc2cc(C3CC3)nn2C)c(O)c1OC ZINC000897224716 639259760 /nfs/dbraw/zinc/25/97/60/639259760.db2.gz SQPRRVZCEKOILO-UHFFFAOYSA-N 0 3 317.389 2.310 20 10 DECDHN COc1cc(C)cc(CN2CCCN(C(=O)C(C)C)CC2)c1O ZINC000754732604 639465819 /nfs/dbraw/zinc/46/58/19/639465819.db2.gz QWPRPNGZMRDBBD-UHFFFAOYSA-N 0 3 320.433 2.400 20 10 DECDHN C[C@H]1C[C@H]([NH2+]CCCN2CCOCC2)c2c1c(F)ccc2[O-] ZINC000756342747 639652184 /nfs/dbraw/zinc/65/21/84/639652184.db2.gz LAQGKNXLYRRXMX-JSGCOSHPSA-N 0 3 308.397 2.392 20 10 DECDHN C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)[C@@H]1CN(C)CCO1 ZINC000756760213 639692678 /nfs/dbraw/zinc/69/26/78/639692678.db2.gz POECNJYJTNSHSA-ZSEWYUTFSA-N 0 3 308.397 2.388 20 10 DECDHN CC[C@]1(C)CCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000758742097 639991529 /nfs/dbraw/zinc/99/15/29/639991529.db2.gz UATUFWJQGJDHNJ-GOSISDBHSA-N 0 3 303.450 2.491 20 10 DECDHN CCN(CC)c1ccc(CNC(=O)N2C[C@H](C)NC[C@@H]2C)cc1 ZINC000841719700 650551252 /nfs/dbraw/zinc/55/12/52/650551252.db2.gz OVIDSVFHESXBSS-GJZGRUSLSA-N 0 3 318.465 2.425 20 10 DECDHN C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)[C@@H](C)CN1 ZINC000841709370 650546963 /nfs/dbraw/zinc/54/69/63/650546963.db2.gz DXPCPPKHHYMVSN-CABCVRRESA-N 0 3 316.449 2.179 20 10 DECDHN CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000761223898 640287712 /nfs/dbraw/zinc/28/77/12/640287712.db2.gz UHKUAPMUWRXVJD-TZMCWYRMSA-N 0 3 315.797 2.338 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](C3CCOCC3)C1)[C@@H](O)CO2 ZINC000768466275 641086019 /nfs/dbraw/zinc/08/60/19/641086019.db2.gz XKHNRCNMFPCEOR-GUYCJALGSA-N 0 3 319.401 2.067 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](C3CCOCC3)C1)[C@@H](O)CO2 ZINC000768466275 641086022 /nfs/dbraw/zinc/08/60/22/641086022.db2.gz XKHNRCNMFPCEOR-GUYCJALGSA-N 0 3 319.401 2.067 20 10 DECDHN C[C@H](NC(=O)N[C@H]1CCCN(C)C1)c1ccc(N(C)C)cc1 ZINC000773370059 641764969 /nfs/dbraw/zinc/76/49/69/641764969.db2.gz YKLGIVHVPDVXMN-ZFWWWQNUSA-N 0 3 304.438 2.207 20 10 DECDHN CCN(C)c1ccc(CN2CC[C@@H](N3CCCC3=O)C2)cc1 ZINC000773818193 641826444 /nfs/dbraw/zinc/82/64/44/641826444.db2.gz OAQWDSDOKJCABN-QGZVFWFLSA-N 0 3 301.434 2.339 20 10 DECDHN CCN(C)c1ccc(CN2CC[C@@H](NC(=O)NC3CC3)C2)cc1 ZINC000773843582 641830467 /nfs/dbraw/zinc/83/04/67/641830467.db2.gz DIQCGLPMWAAFOG-MRXNPFEDSA-N 0 3 316.449 2.179 20 10 DECDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ncccn1 ZINC000774487283 641909517 /nfs/dbraw/zinc/90/95/17/641909517.db2.gz YPDWSBVWWWVCGQ-STQMWFEESA-N 0 3 313.405 2.220 20 10 DECDHN C[C@@H](CF)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100948 641941922 /nfs/dbraw/zinc/94/19/22/641941922.db2.gz DLQRKDWWWHILDQ-SWLSCSKDSA-N 0 3 310.417 2.013 20 10 DECDHN C[C@@H]1[C@H](C)OCCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775700952 642081517 /nfs/dbraw/zinc/08/15/17/642081517.db2.gz UPANDSCHZYYWRM-CVEARBPZSA-N 0 3 303.450 2.048 20 10 DECDHN COc1cc(O)c(CNC(C)(C)c2cnn(C)c2)cc1OC ZINC000776177888 642139709 /nfs/dbraw/zinc/13/97/09/642139709.db2.gz VIWJUNVLWXZMJC-UHFFFAOYSA-N 0 3 305.378 2.168 20 10 DECDHN COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000776867890 642214264 /nfs/dbraw/zinc/21/42/64/642214264.db2.gz NXMCSKHMDVPYLQ-HZUKXOBISA-N 0 3 313.369 2.002 20 10 DECDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)CC(N)=O)c1[O-] ZINC000779030865 642456490 /nfs/dbraw/zinc/45/64/90/642456490.db2.gz XTWZFINIFKZDSD-IUCAKERBSA-N 0 3 315.211 2.378 20 10 DECDHN C[C@@H]1C[C@@H](NCc2cc(F)c(N3CCOCC3)c(F)c2)CO1 ZINC000842711142 650809248 /nfs/dbraw/zinc/80/92/48/650809248.db2.gz ZJGVPUDTXCJDDO-DGCLKSJQSA-N 0 3 312.360 2.068 20 10 DECDHN COc1cccc([O-])c1C[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000791001816 643918318 /nfs/dbraw/zinc/91/83/18/643918318.db2.gz DOHLUWDEHORNKP-AWEZNQCLSA-N 0 3 305.349 2.233 20 10 DECDHN Fc1cc(CN2CC([C@H]3CCOC3)C2)ccc1N1CCOCC1 ZINC000793256388 644216516 /nfs/dbraw/zinc/21/65/16/644216516.db2.gz VGWQQXIVCWRWEL-HNNXBMFYSA-N 0 3 320.408 2.131 20 10 DECDHN COc1ccc(C[NH2+]Cc2cc3c(c(OC)c2)OCO3)c([O-])c1 ZINC000793386488 644243766 /nfs/dbraw/zinc/24/37/66/644243766.db2.gz SURDBDMSISMUQZ-UHFFFAOYSA-N 0 3 317.341 2.428 20 10 DECDHN C[C@@H](N[C@@H](C)C1(S(C)(=O)=O)CC1)c1ccc(N(C)C)cc1 ZINC000797068849 644832534 /nfs/dbraw/zinc/83/25/34/644832534.db2.gz HCOFKLDTKUJNMX-OLZOCXBDSA-N 0 3 310.463 2.369 20 10 DECDHN C[C@H](N[C@@H](C)C1(S(C)(=O)=O)CC1)c1ccc(N(C)C)cc1 ZINC000797068851 644833173 /nfs/dbraw/zinc/83/31/73/644833173.db2.gz HCOFKLDTKUJNMX-STQMWFEESA-N 0 3 310.463 2.369 20 10 DECDHN COc1cc(CN2CCC(OC(=O)N(C)C)CC2)c(O)cc1C ZINC000840089639 645936309 /nfs/dbraw/zinc/93/63/09/645936309.db2.gz AKNGWPGCLVJKEQ-UHFFFAOYSA-N 0 3 322.405 2.372 20 10 DECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CCS(=O)(=O)C2)c1[O-] ZINC000808674060 646126275 /nfs/dbraw/zinc/12/62/75/646126275.db2.gz MTURCCGKAPEFLJ-WDEREUQCSA-N 0 3 317.838 2.439 20 10 DECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)c1[O-] ZINC000808696866 646129965 /nfs/dbraw/zinc/12/99/65/646129965.db2.gz ZFSKAXRQAGRVSF-GXTWGEPZSA-N 0 3 311.857 2.250 20 10 DECDHN COc1ccc(O)c(CNC(=O)[C@@H](C)N2CCCCCC2)c1 ZINC000173578983 646774684 /nfs/dbraw/zinc/77/46/84/646774684.db2.gz VRABACXTMOHEHP-CYBMUJFWSA-N 0 3 306.406 2.282 20 10 DECDHN C[C@H]1C[C@H]([NH2+]CCCc2cnn(C)n2)c2c1c(F)ccc2[O-] ZINC000815639971 647037815 /nfs/dbraw/zinc/03/78/15/647037815.db2.gz MIBUZXHWMZCBQE-GWCFXTLKSA-N 0 3 304.369 2.431 20 10 DECDHN C[C@H](CNC(=O)NCc1c([O-])cccc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000914074369 647145860 /nfs/dbraw/zinc/14/58/60/647145860.db2.gz DCGFYNFJEZBEAD-CHWSQXEVSA-N 0 3 323.412 2.451 20 10 DECDHN C[C@H](CNC(=O)NCc1c([O-])cccc1F)[N@H+]1CCC[C@@H](C)C1 ZINC000914074369 647145861 /nfs/dbraw/zinc/14/58/61/647145861.db2.gz DCGFYNFJEZBEAD-CHWSQXEVSA-N 0 3 323.412 2.451 20 10 DECDHN COc1ccc(CNC(=O)[C@@H](N)CC2CCCCC2)c(O)c1 ZINC000818000165 647404149 /nfs/dbraw/zinc/40/41/49/647404149.db2.gz IGIQRAJTRBRSBI-HNNXBMFYSA-N 0 3 306.406 2.315 20 10 DECDHN CCOc1ccc(C[NH2+][C@H](C)C(=O)NCc2ccco2)c([O-])c1 ZINC000732230767 647551900 /nfs/dbraw/zinc/55/19/00/647551900.db2.gz RMPPZKAFNMTPJU-GFCCVEGCSA-N 0 3 318.373 2.178 20 10 DECDHN O=S1(=O)C[C@H](C[NH2+]Cc2ccccc2[O-])c2ccccc21 ZINC000824514627 648600118 /nfs/dbraw/zinc/60/01/18/648600118.db2.gz AEWFYRPWADLKHL-ZDUSSCGKSA-N 0 3 303.383 2.053 20 10 DECDHN CO[C@@]1(CO)CCCN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000826952858 648951815 /nfs/dbraw/zinc/95/18/15/648951815.db2.gz VJMDQVIEJRJLSW-JXTAAOLFSA-N 0 3 304.434 2.239 20 10 DECDHN COC(=O)[C@@H]1OCC[C@@H]1NCc1ccc(N2CCCCC2)cc1 ZINC000826972501 648954680 /nfs/dbraw/zinc/95/46/80/648954680.db2.gz DZEYROBDJNZYSV-DLBZAZTESA-N 0 3 318.417 2.097 20 10 DECDHN COCC1(C2CCC2)CN(Cc2cc3c(cc2O)OCO3)C1 ZINC000827012536 648960239 /nfs/dbraw/zinc/96/02/39/648960239.db2.gz ZYIQLPAVZUDMLW-UHFFFAOYSA-N 0 3 305.374 2.369 20 10 DECDHN Cc1cc(Br)cc(C[N@@H+](C)CC2CN(C)C2)c1[O-] ZINC000827124822 648976357 /nfs/dbraw/zinc/97/63/57/648976357.db2.gz FGOAMSSWYUENGB-UHFFFAOYSA-N 0 3 313.239 2.457 20 10 DECDHN Cc1cc(Br)cc(C[N@H+](C)CC2CN(C)C2)c1[O-] ZINC000827124822 648976360 /nfs/dbraw/zinc/97/63/60/648976360.db2.gz FGOAMSSWYUENGB-UHFFFAOYSA-N 0 3 313.239 2.457 20 10 DECDHN Cn1ccnc1N1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000827892449 649100891 /nfs/dbraw/zinc/10/08/91/649100891.db2.gz YTLQUZABGCKVMA-UHFFFAOYSA-N 0 3 306.797 2.101 20 10 DECDHN CN(C)c1ccc(CNC(=O)c2ccc3c(c2)CNC3)cc1F ZINC000827900574 649102646 /nfs/dbraw/zinc/10/26/46/649102646.db2.gz DWYKTFSCIDLCAE-UHFFFAOYSA-N 0 3 313.376 2.425 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]C[C@@](C)(O)CSC)c1[O-] ZINC000184709196 649352772 /nfs/dbraw/zinc/35/27/72/649352772.db2.gz ABCQYELOCPHZDZ-CYBMUJFWSA-N 0 3 305.827 2.258 20 10 DECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@]1(CO)CCc2ccccc21 ZINC000846010028 651301294 /nfs/dbraw/zinc/30/12/94/651301294.db2.gz DEMGOGHETHVDDF-GOSISDBHSA-N 0 3 301.361 2.497 20 10 DECDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2C[C@@H](O)C2)c1[O-] ZINC000848552891 651470244 /nfs/dbraw/zinc/47/02/44/651470244.db2.gz PMMJBGMDYZBDMQ-QNSHHTMESA-N 0 3 316.195 2.337 20 10 DECDHN Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c([O-])c1O ZINC000855162593 651637507 /nfs/dbraw/zinc/63/75/07/651637507.db2.gz YWRAONMOWSMQSA-LBPRGKRZSA-N 0 3 306.406 2.256 20 10 DECDHN Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c([O-])c1O ZINC000855162593 651637510 /nfs/dbraw/zinc/63/75/10/651637510.db2.gz YWRAONMOWSMQSA-LBPRGKRZSA-N 0 3 306.406 2.256 20 10 DECDHN COc1cncc(CNCc2ccc(N3CCOCC3)cc2)c1 ZINC000850069346 651818884 /nfs/dbraw/zinc/81/88/84/651818884.db2.gz LRKUJPKBVRZCFP-UHFFFAOYSA-N 0 3 313.401 2.217 20 10 DECDHN C[C@@H](N[C@H](CO)c1ccnn1C)c1cc2c(cc1O)CCCC2 ZINC000858434777 652335413 /nfs/dbraw/zinc/33/54/13/652335413.db2.gz PEWSIDWQQVQQFH-MLGOLLRUSA-N 0 3 315.417 2.389 20 10 DECDHN CC(=O)c1cc(Cl)cc(CN(C)C[C@H]2COCCO2)c1[O-] ZINC000852495298 652409915 /nfs/dbraw/zinc/40/99/15/652409915.db2.gz IVVZVRQLKIKZFC-ZDUSSCGKSA-N 0 3 313.781 2.095 20 10 DECDHN CC(=O)c1cc(Cl)cc(CN(C)C[C@H]2COCCO2)c1O ZINC000852495298 652409917 /nfs/dbraw/zinc/40/99/17/652409917.db2.gz IVVZVRQLKIKZFC-ZDUSSCGKSA-N 0 3 313.781 2.095 20 10 DECDHN COc1ccc(O)c([C@@H](C)NCc2cccc(C(N)=O)c2)c1 ZINC000121219447 684106995 /nfs/dbraw/zinc/10/69/95/684106995.db2.gz NJFAXAVPFGUQTC-LLVKDONJSA-N 0 3 300.358 2.351 20 10 DECDHN CCOc1cccc(CN[C@@](C)(CO)c2cccc(O)c2)c1O ZINC000862431192 686301307 /nfs/dbraw/zinc/30/13/07/686301307.db2.gz FLOPQBZTEXLDMH-SFHVURJKSA-N 0 3 317.385 2.494 20 10 DECDHN CCN(CC)c1ccc(CN2C[C@@H]3COC(=O)[C@@H]3C2)cc1F ZINC000862546423 686319886 /nfs/dbraw/zinc/31/98/86/686319886.db2.gz MFNPLXVBQLLTFA-ZIAGYGMSSA-N 0 3 306.381 2.277 20 10 DECDHN CN(Cc1cc2c(cc1O)CCC2)[C@H]1CCCCN(C)C1=O ZINC000872673905 689062254 /nfs/dbraw/zinc/06/22/54/689062254.db2.gz SAEAGSIBDVTSBX-INIZCTEOSA-N 0 3 302.418 2.324 20 10 DECDHN C[C@@H]1C[C@@H](NC(=O)N2Cc3cccc(O)c3C2)CN1C1CC1 ZINC000875359245 689613032 /nfs/dbraw/zinc/61/30/32/689613032.db2.gz NNKHLADVILANOJ-DGCLKSJQSA-N 0 3 301.390 2.043 20 10 DECDHN CN1CCN(Cc2cc(-c3ccccc3)ccc2O)[C@H](CO)C1 ZINC000877644964 690177615 /nfs/dbraw/zinc/17/76/15/690177615.db2.gz WXEBMGCOQJUSJC-SFHVURJKSA-N 0 3 312.413 2.168 20 10 DECDHN C[C@@H]([NH2+]CC(=O)NCCOc1ccccc1)c1ccccc1[O-] ZINC000879647978 690698470 /nfs/dbraw/zinc/69/84/70/690698470.db2.gz UDFDTCBSGLFUQE-CQSZACIVSA-N 0 3 314.385 2.238 20 10 DECDHN Cc1csc(CNCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000883283539 691471870 /nfs/dbraw/zinc/47/18/70/691471870.db2.gz JBVCYAAKJFBRKV-UHFFFAOYSA-N 0 3 316.474 2.493 20 10 DECDHN CN(C)c1cc(F)c(CN[C@H](CO)C[C@H]2CCCO2)cc1F ZINC000886220779 692027999 /nfs/dbraw/zinc/02/79/99/692027999.db2.gz MSNWAYWCDSBQHJ-QWHCGFSZSA-N 0 3 314.376 2.050 20 10 DECDHN CCOc1ccc(O)c(CNCc2n[nH]c(CSC)n2)c1 ZINC000886327265 692056915 /nfs/dbraw/zinc/05/69/15/692056915.db2.gz DXVGTNDZDRTEPV-UHFFFAOYSA-N 0 3 308.407 2.062 20 10 DECDHN COCOCCCN1CCN(c2ccc(OC)cc2C)CC1 ZINC001209032541 776653262 /nfs/dbraw/zinc/65/32/62/776653262.db2.gz XGNPNSAXIYFUHG-UHFFFAOYSA-N 0 3 308.422 2.136 20 10 DECDHN [O-]c1cc2c(cc1C[NH+]1CCC3(CCCCO3)CC1)[C@@H](O)CO2 ZINC001119392447 795297077 /nfs/dbraw/zinc/29/70/77/795297077.db2.gz LURLXDBFDLFHNQ-INIZCTEOSA-N 0 3 319.401 2.353 20 10 DECDHN CN1CCCc2cc(CN3CCC4(CC(=O)CO4)CC3)ccc21 ZINC001138354410 796204591 /nfs/dbraw/zinc/20/45/91/796204591.db2.gz IMLDKEKXICTHPE-UHFFFAOYSA-N 0 3 314.429 2.393 20 10 DECDHN Cc1cc(CN2CCC[C@]3(CNC(=O)O3)C2)ccc1N(C)C ZINC001139673497 796407974 /nfs/dbraw/zinc/40/79/74/796407974.db2.gz SGSSCJMSQZLAJH-KRWDZBQOSA-N 0 3 303.406 2.135 20 10 DECDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@]2(CCN2c2ncccn2)C1 ZINC001140054075 796471239 /nfs/dbraw/zinc/47/12/39/796471239.db2.gz JDRRZCRGOIAXMW-KRWDZBQOSA-N 0 3 314.364 2.176 20 10 DECDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@]2(CCN2c2ncccn2)C1 ZINC001140054075 796471244 /nfs/dbraw/zinc/47/12/44/796471244.db2.gz JDRRZCRGOIAXMW-KRWDZBQOSA-N 0 3 314.364 2.176 20 10 DECDHN CCN1CCN(c2ccc(CN(C)Cc3ccon3)cc2)CC1 ZINC001140306248 796504776 /nfs/dbraw/zinc/50/47/76/796504776.db2.gz QLKUCJWYTOLBRW-UHFFFAOYSA-N 0 3 314.433 2.449 20 10 DECDHN CCN(CC)c1ccc(CN2CC[C@H](O)[C@](C)(CO)C2)cc1 ZINC001203940785 798509277 /nfs/dbraw/zinc/50/92/77/798509277.db2.gz ZGQMJDYTIGMNDY-ROUUACIJSA-N 0 3 306.450 2.098 20 10 DECDHN CC(C)(C)NC(=O)CO[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC001203558730 800080848 /nfs/dbraw/zinc/08/08/48/800080848.db2.gz ZBEBQCBDIIPFFF-HNNXBMFYSA-N 0 3 320.433 2.288 20 10 DECDHN CC(C)(C)NC(=O)CO[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203558730 800080856 /nfs/dbraw/zinc/08/08/56/800080856.db2.gz ZBEBQCBDIIPFFF-HNNXBMFYSA-N 0 3 320.433 2.288 20 10 DECDHN COc1ccc(C[N@@H+]2CCC[C@H](c3nnc(C)o3)C2)c([O-])c1 ZINC001203634564 800095454 /nfs/dbraw/zinc/09/54/54/800095454.db2.gz LZOBCXYKFQTNCW-ZDUSSCGKSA-N 0 3 303.362 2.472 20 10 DECDHN COc1ccc(C[N@H+]2CCC[C@H](c3nnc(C)o3)C2)c([O-])c1 ZINC001203634564 800095462 /nfs/dbraw/zinc/09/54/62/800095462.db2.gz LZOBCXYKFQTNCW-ZDUSSCGKSA-N 0 3 303.362 2.472 20 10 DECDHN CC(C)NC(=O)N[C@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC001203937611 800149176 /nfs/dbraw/zinc/14/91/76/800149176.db2.gz ZXHHKBXXTULLEN-INIZCTEOSA-N 0 3 318.465 2.425 20 10 DECDHN COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204274267 800197752 /nfs/dbraw/zinc/19/77/52/800197752.db2.gz LMEVGPVLICCDRW-IRXDYDNUSA-N 0 3 307.390 2.115 20 10 DECDHN COC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204274267 800197754 /nfs/dbraw/zinc/19/77/54/800197754.db2.gz LMEVGPVLICCDRW-IRXDYDNUSA-N 0 3 307.390 2.115 20 10 DECDHN O=C1CCN(Cc2ccc(N3CCCC3)cc2)C[C@@H]2CCCN12 ZINC001204329649 800205199 /nfs/dbraw/zinc/20/51/99/800205199.db2.gz TYVGIUGCLRVCFM-SFHVURJKSA-N 0 3 313.445 2.484 20 10 DECDHN [NH3+]C[C@]1(O)CCCCN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001205725446 800408751 /nfs/dbraw/zinc/40/87/51/800408751.db2.gz HOWKMCXNLXLVRU-CQSZACIVSA-N 0 3 318.339 2.087 20 10 DECDHN COc1cc(C[N@@H+]2CCc3cccc([O-])c3C2)c(O)cc1O ZINC001231639289 801701619 /nfs/dbraw/zinc/70/16/19/801701619.db2.gz ODXQUXVLPPVYML-UHFFFAOYSA-N 0 3 301.342 2.370 20 10 DECDHN COc1cc(C[N@H+]2CCc3cccc([O-])c3C2)c(O)cc1O ZINC001231639289 801701627 /nfs/dbraw/zinc/70/16/27/801701627.db2.gz ODXQUXVLPPVYML-UHFFFAOYSA-N 0 3 301.342 2.370 20 10 DECDHN Cc1ccc(C[N@@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)c([O-])c1 ZINC001331549153 1149527767 /nfs/dbraw/zinc/52/77/67/1149527767.db2.gz QENIIBNJNKVDRU-LJQANCHMSA-N 0 3 310.397 2.330 20 10 DECDHN Cc1ccc(C[N@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)c([O-])c1 ZINC001331549153 1149527795 /nfs/dbraw/zinc/52/77/95/1149527795.db2.gz QENIIBNJNKVDRU-LJQANCHMSA-N 0 3 310.397 2.330 20 10 DECDHN C[C@H](NC(=O)c1cccc2c1OCCNC2)c1ccccc1O ZINC001522342888 1069344198 /nfs/dbraw/zinc/34/41/98/1069344198.db2.gz MYEHHVAWXDVRMS-LBPRGKRZSA-N 0 3 312.369 2.365 20 10 DECDHN COc1ccc(N(C)Cc2nc3c(s2)CNCC3)cc1OC ZINC001579224340 1067264249 /nfs/dbraw/zinc/26/42/49/1067264249.db2.gz CICRJVAQNCCYAG-UHFFFAOYSA-N 0 3 319.430 2.442 20 10 DECDHN COCC1(C[NH2+]Cc2c(C)cc(OC)cc2[O-])CCOCC1 ZINC001659368612 1080238764 /nfs/dbraw/zinc/23/87/64/1080238764.db2.gz MZKHUILGNYPQJZ-UHFFFAOYSA-N 0 3 309.406 2.242 20 10 DECDHN COc1cc(C)c(C[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c([O-])c1 ZINC001659762145 1080250954 /nfs/dbraw/zinc/25/09/54/1080250954.db2.gz AVPYJAUQZWVUFN-LSDHHAIUSA-N 0 3 320.433 2.004 20 10 DECDHN COc1cc(C)c(C[N@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c([O-])c1 ZINC001659762145 1080250960 /nfs/dbraw/zinc/25/09/60/1080250960.db2.gz AVPYJAUQZWVUFN-LSDHHAIUSA-N 0 3 320.433 2.004 20 10 DECDHN CCN(CC)c1ccc(CN2CC[C@@H](F)[C@H](N)C2)c(OC)c1 ZINC001235911274 1084561839 /nfs/dbraw/zinc/56/18/39/1084561839.db2.gz RBNORHQYDFGTPS-HZPDHXFCSA-N 0 3 309.429 2.413 20 10 DECDHN COc1cc(C)cc(CN2CCC(F)(F)[C@H](CO)C2)c1O ZINC001119448638 1090345387 /nfs/dbraw/zinc/34/53/87/1090345387.db2.gz LHNJFWPQARQLEB-LBPRGKRZSA-N 0 3 301.333 2.159 20 10 DECDHN C[N@H+]1CCC2(CN(Cc3cc(Br)ccc3[O-])C2)C1 ZINC001275275855 1091646241 /nfs/dbraw/zinc/64/62/41/1091646241.db2.gz RIAKJYUUBQFBNV-UHFFFAOYSA-N 0 3 311.223 2.292 20 10 DECDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@H]2CN(Cc3ccc[nH]3)C[C@H]21 ZINC001275952779 1092369473 /nfs/dbraw/zinc/36/94/73/1092369473.db2.gz NGLYENJSFIFORW-SUMWQHHRSA-N 0 3 313.401 2.132 20 10 DECDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@H]2CN(Cc3ccc[nH]3)C[C@H]21 ZINC001275952779 1092369479 /nfs/dbraw/zinc/36/94/79/1092369479.db2.gz NGLYENJSFIFORW-SUMWQHHRSA-N 0 3 313.401 2.132 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CCC[C@@]3(CCCC(=O)N3)C2)c([O-])c1 ZINC001236808773 1138434763 /nfs/dbraw/zinc/43/47/63/1138434763.db2.gz BVVILHJEIBWYBE-SFHVURJKSA-N 0 3 318.417 2.344 20 10 DECDHN COc1cc(C)c(C[N@H+]2CCC[C@@]3(CCCC(=O)N3)C2)c([O-])c1 ZINC001236808773 1138434766 /nfs/dbraw/zinc/43/47/66/1138434766.db2.gz BVVILHJEIBWYBE-SFHVURJKSA-N 0 3 318.417 2.344 20 10 DECDHN COC(=O)C[C@@H]1CCC[N@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001236822231 1138439818 /nfs/dbraw/zinc/43/98/18/1138439818.db2.gz YSHUMZARCGYOLY-ZDUSSCGKSA-N 0 3 307.390 2.484 20 10 DECDHN COC(=O)C[C@@H]1CCC[N@@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001236822231 1138439820 /nfs/dbraw/zinc/43/98/20/1138439820.db2.gz YSHUMZARCGYOLY-ZDUSSCGKSA-N 0 3 307.390 2.484 20 10 DECDHN Clc1cc(N2CCOCC2)ccc1CN1CCC2(COC2)C1 ZINC001236925100 1138457417 /nfs/dbraw/zinc/45/74/17/1138457417.db2.gz QFCUYTLFZZDJTL-UHFFFAOYSA-N 0 3 322.836 2.399 20 10 DECDHN C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2F)CCCO1 ZINC001236932590 1138460311 /nfs/dbraw/zinc/46/03/11/1138460311.db2.gz SEGVCNFESFMPKF-OAHLLOKOSA-N 0 3 321.440 2.188 20 10 DECDHN Cc1cccc([O-])c1C[NH+]1CCC2(C[C@H]2C(=O)N(C)C)CC1 ZINC001237488030 1138653926 /nfs/dbraw/zinc/65/39/26/1138653926.db2.gz HOGSZZORYYDDJD-HNNXBMFYSA-N 0 3 302.418 2.391 20 10 DECDHN Cc1cccc(O)c1CN1CCN(c2ccc(Cl)nn2)CC1 ZINC001237492061 1138655235 /nfs/dbraw/zinc/65/52/35/1138655235.db2.gz OAUCNAYNSKCQSZ-UHFFFAOYSA-N 0 3 318.808 2.466 20 10 DECDHN CNC(=O)NC1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237939431 1138811817 /nfs/dbraw/zinc/81/18/17/1138811817.db2.gz COGOJAANBDRWSV-UHFFFAOYSA-N 0 3 315.776 2.078 20 10 DECDHN CNC(=O)NC1CC[NH+](Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237939431 1138811818 /nfs/dbraw/zinc/81/18/18/1138811818.db2.gz COGOJAANBDRWSV-UHFFFAOYSA-N 0 3 315.776 2.078 20 10 DECDHN Cc1cc(F)cc(C[NH+]2CCC3(CCC(=O)N3C)CC2)c1[O-] ZINC001238067413 1138819696 /nfs/dbraw/zinc/81/96/96/1138819696.db2.gz PAGNVOUZOOKOHI-UHFFFAOYSA-N 0 3 306.381 2.427 20 10 DECDHN CC(C)(C)NC(=O)C12CC([NH2+]Cc3cc(F)ccc3[O-])(C1)C2 ZINC001278254769 1138860541 /nfs/dbraw/zinc/86/05/41/1138860541.db2.gz HIZMFSLPKCRSBN-UHFFFAOYSA-N 0 3 306.381 2.458 20 10 DECDHN CCOc1ccc(N2CCN(C(=O)[C@H](CC)N(C)C)CC2)cc1 ZINC001319624859 1140627740 /nfs/dbraw/zinc/62/77/40/1140627740.db2.gz ZTLQFFPXMFGOFJ-KRWDZBQOSA-N 0 3 319.449 2.074 20 10 DECDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c([O-])c1 ZINC001249201474 1141859386 /nfs/dbraw/zinc/85/93/86/1141859386.db2.gz UHOPPHVANAMIBM-HNNXBMFYSA-N 0 3 311.328 2.339 20 10 DECDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)c([O-])c1 ZINC001249201474 1141859387 /nfs/dbraw/zinc/85/93/87/1141859387.db2.gz UHOPPHVANAMIBM-HNNXBMFYSA-N 0 3 311.328 2.339 20 10 DECDHN COC(=O)Cc1ccc(C[N@H+](C)C[C@H]2CCCCO2)c([O-])c1 ZINC001249201018 1141859416 /nfs/dbraw/zinc/85/94/16/1141859416.db2.gz AZWDQIFOSLVIPM-OAHLLOKOSA-N 0 3 307.390 2.109 20 10 DECDHN COC(=O)Cc1ccc(C[N@@H+](C)C[C@H]2CCCCO2)c([O-])c1 ZINC001249201018 1141859417 /nfs/dbraw/zinc/85/94/17/1141859417.db2.gz AZWDQIFOSLVIPM-OAHLLOKOSA-N 0 3 307.390 2.109 20 10 DECDHN COc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC001253979379 1143016934 /nfs/dbraw/zinc/01/69/34/1143016934.db2.gz KZQYBJBHXAVQDW-KBPBESRZSA-N 0 3 317.385 2.491 20 10 DECDHN CC(C)N(Cc1ccc(N2CCN(C)CC2)c(F)c1)C1COC1 ZINC001261256084 1144228406 /nfs/dbraw/zinc/22/84/06/1144228406.db2.gz VBPVWNCPQUBBOI-UHFFFAOYSA-N 0 3 321.440 2.187 20 10 DECDHN CCNC(=O)N1CC[C@H](N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000090410744 185294910 /nfs/dbraw/zinc/29/49/10/185294910.db2.gz OUVWMFXSNXSBTO-ZFWWWQNUSA-N 0 3 304.438 2.207 20 10 DECDHN CN(C)c1ccc(CN2CCC3(CCN(C)C3=O)CC2)cc1F ZINC000370080992 529780368 /nfs/dbraw/zinc/78/03/68/529780368.db2.gz HWELZRPUDYCONX-UHFFFAOYSA-N 0 3 319.424 2.336 20 10 DECDHN C[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1C ZINC000076111467 355127067 /nfs/dbraw/zinc/12/70/67/355127067.db2.gz CZUANBKTYVDYEG-GASCZTMLSA-N 0 3 303.450 2.299 20 10 DECDHN CCN(CC)c1ccc(CN(C)CC(C)(CO)CO)cc1F ZINC000093502656 193260065 /nfs/dbraw/zinc/26/00/65/193260065.db2.gz GFGGGRLDNXBBPY-UHFFFAOYSA-N 0 3 312.429 2.095 20 10 DECDHN [O-]c1cc2c(cc1C[NH+]1CCC([C@@H]3CCOC3)CC1)OCO2 ZINC000368204258 285381777 /nfs/dbraw/zinc/38/17/77/285381777.db2.gz WKCVIPKTLJCXMW-CYBMUJFWSA-N 0 3 305.374 2.369 20 10 DECDHN C[C@@H](N[C@@H]1COC[C@H]1O)c1ccc(N2CCCCCC2)cc1 ZINC000295856028 533529887 /nfs/dbraw/zinc/52/98/87/533529887.db2.gz FEHLFLHUPDFYAH-ZTFGCOKTSA-N 0 3 304.434 2.477 20 10 DECDHN [O-]c1ccc(F)cc1C[NH2+][C@@H](CO)C[C@H](O)c1ccccc1 ZINC000272507827 130037071 /nfs/dbraw/zinc/03/70/71/130037071.db2.gz WORQQOZOULUHQM-WBVHZDCISA-N 0 3 305.349 2.106 20 10 DECDHN [O-]c1ccccc1C[N@H+](CCn1cccn1)C[C@@H]1CCCO1 ZINC000111233018 401702026 /nfs/dbraw/zinc/70/20/26/401702026.db2.gz QVXNUVRDWRMPHN-INIZCTEOSA-N 0 3 301.390 2.270 20 10 DECDHN [O-]c1ccccc1C[N@@H+](CCn1cccn1)C[C@@H]1CCCO1 ZINC000111233018 401702028 /nfs/dbraw/zinc/70/20/28/401702028.db2.gz QVXNUVRDWRMPHN-INIZCTEOSA-N 0 3 301.390 2.270 20 10 DECDHN CN(C)c1ccc(CNC(=O)N(C)C[C@@H]2CCCN(C)C2)cc1 ZINC000115636420 401834285 /nfs/dbraw/zinc/83/42/85/401834285.db2.gz IDSVINURTHKXHJ-MRXNPFEDSA-N 0 3 318.465 2.236 20 10 DECDHN COC(=O)CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000117340594 401874864 /nfs/dbraw/zinc/87/48/64/401874864.db2.gz MIDNRVBSQRACJT-HNNXBMFYSA-N 0 3 307.390 2.326 20 10 DECDHN COC(=O)CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000117340594 401874866 /nfs/dbraw/zinc/87/48/66/401874866.db2.gz MIDNRVBSQRACJT-HNNXBMFYSA-N 0 3 307.390 2.326 20 10 DECDHN CCN(CC)CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000117976084 401888526 /nfs/dbraw/zinc/88/85/26/401888526.db2.gz WNSVQWNDWHLPHI-INIZCTEOSA-N 0 3 320.433 2.242 20 10 DECDHN CCN(CC)c1ccc(CN2CCC(C(=O)NC)CC2)cc1 ZINC000122536035 402082953 /nfs/dbraw/zinc/08/29/53/402082953.db2.gz IACVXOQPBKAYOZ-UHFFFAOYSA-N 0 3 303.450 2.491 20 10 DECDHN CCN(CC)c1ccc(CN[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000069142597 402213965 /nfs/dbraw/zinc/21/39/65/402213965.db2.gz QYBQUCGCPVHVKK-HNNXBMFYSA-N 0 3 310.463 2.200 20 10 DECDHN CC(C)[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)N(C)C ZINC000154928447 402238636 /nfs/dbraw/zinc/23/86/36/402238636.db2.gz XQGQJLWCJIKVCC-KRWDZBQOSA-N 0 3 304.434 2.473 20 10 DECDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](CNC(C)=O)C2)c1 ZINC000155571209 402261220 /nfs/dbraw/zinc/26/12/20/402261220.db2.gz WYRUFNFDBKPIDM-AWEZNQCLSA-N 0 3 306.406 2.139 20 10 DECDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](CNC(C)=O)C2)c1 ZINC000155571209 402261221 /nfs/dbraw/zinc/26/12/21/402261221.db2.gz WYRUFNFDBKPIDM-AWEZNQCLSA-N 0 3 306.406 2.139 20 10 DECDHN CNC(=O)C1CCN(Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000184676301 402291058 /nfs/dbraw/zinc/29/10/58/402291058.db2.gz ZKSAIJDBUKTLRO-UHFFFAOYSA-N 0 3 312.797 2.012 20 10 DECDHN COc1ccc(N2CCCN(CCn3ccnc3)CC2)cc1 ZINC000159768721 402330234 /nfs/dbraw/zinc/33/02/34/402330234.db2.gz BJRKPNRANXRMKG-UHFFFAOYSA-N 0 3 300.406 2.104 20 10 DECDHN COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(C)ccc1[O-])CC2 ZINC000186102649 402401596 /nfs/dbraw/zinc/40/15/96/402401596.db2.gz BTMBHQWRPLYINW-CHWSQXEVSA-N 0 3 316.405 2.104 20 10 DECDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2COC3(CCOCC3)O2)c([O-])c1 ZINC000186375599 402426412 /nfs/dbraw/zinc/42/64/12/402426412.db2.gz PFVNZPFDYRRECQ-ZIAGYGMSSA-N 0 3 307.390 2.273 20 10 DECDHN C[C@H](NC(=O)c1cccc(O)c1[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000193158256 402767355 /nfs/dbraw/zinc/76/73/55/402767355.db2.gz UCIAJSUSIFLMDU-STQMWFEESA-N 0 3 318.417 2.481 20 10 DECDHN C[C@H](NC(=O)c1cccc(O)c1[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000193158256 402767358 /nfs/dbraw/zinc/76/73/58/402767358.db2.gz UCIAJSUSIFLMDU-STQMWFEESA-N 0 3 318.417 2.481 20 10 DECDHN C[C@@H]1CCNC(=O)[C@H]1NCc1ccc(N2CCCCC2)cc1 ZINC000193685270 402775228 /nfs/dbraw/zinc/77/52/28/402775228.db2.gz CWCKTGHDUZCBTM-PBHICJAKSA-N 0 3 301.434 2.291 20 10 DECDHN C[C@@H](CNC(=O)NCc1ccccc1O)N1CCC(C)CC1 ZINC000263719146 402795143 /nfs/dbraw/zinc/79/51/43/402795143.db2.gz LIPHEZBQIOULNE-AWEZNQCLSA-N 0 3 305.422 2.312 20 10 DECDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)CO[C@@H](C)COC ZINC000278053330 402851338 /nfs/dbraw/zinc/85/13/38/402851338.db2.gz IZVNEIBUQWXJIK-HOCLYGCPSA-N 0 3 311.422 2.017 20 10 DECDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)CO[C@@H](C)COC ZINC000278053330 402851340 /nfs/dbraw/zinc/85/13/40/402851340.db2.gz IZVNEIBUQWXJIK-HOCLYGCPSA-N 0 3 311.422 2.017 20 10 DECDHN COc1c([O-])c(C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000278472485 402866583 /nfs/dbraw/zinc/86/65/83/402866583.db2.gz HOOOCSJVROVMDA-OLZOCXBDSA-N 0 3 323.393 2.271 20 10 DECDHN COc1c([O-])c(CN[C@@H]2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000278472485 402866585 /nfs/dbraw/zinc/86/65/85/402866585.db2.gz HOOOCSJVROVMDA-OLZOCXBDSA-N 0 3 323.393 2.271 20 10 DECDHN C[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1cc2c(cc1[O-])CCCC2 ZINC000278847476 402877607 /nfs/dbraw/zinc/87/76/07/402877607.db2.gz QBXPZQBQGKZUNY-ZJNRKIDTSA-N 0 3 305.418 2.462 20 10 DECDHN COC[C@H](O)CN[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268889994 403120612 /nfs/dbraw/zinc/12/06/12/403120612.db2.gz JPKHKRGQITUVDJ-UKRRQHHQSA-N 0 3 310.413 2.474 20 10 DECDHN Cc1ccc([C@@H](C)[NH2+]CC2(OCCO)CCOCC2)c([O-])c1C ZINC000282920019 403163317 /nfs/dbraw/zinc/16/33/17/403163317.db2.gz XWWUMMKVUUIHKT-OAHLLOKOSA-N 0 3 323.433 2.218 20 10 DECDHN CN(C)c1ccc(CN[C@@H](CO)C[C@@H](O)c2ccccc2)cc1 ZINC000269955936 403178072 /nfs/dbraw/zinc/17/80/72/403178072.db2.gz SSZYLZQTUDWKBL-IEBWSBKVSA-N 0 3 314.429 2.327 20 10 DECDHN C[C@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1ccccc1[O-] ZINC000285718552 403364395 /nfs/dbraw/zinc/36/43/95/403364395.db2.gz QAKIEZGDCDRDDV-SMDDNHRTSA-N 0 3 318.339 2.306 20 10 DECDHN COCCOCCOCCN(C)Cc1ccc(N(C)C)c(C)c1 ZINC000294599171 403722592 /nfs/dbraw/zinc/72/25/92/403722592.db2.gz NNZMRINQFBRFEC-UHFFFAOYSA-N 0 3 324.465 2.172 20 10 DECDHN COC1CCN(c2ccc(CN(C)C3(CO)CC3)cc2)CC1 ZINC000295304667 403843445 /nfs/dbraw/zinc/84/34/45/403843445.db2.gz MOYZVFSRVCRYNG-UHFFFAOYSA-N 0 3 304.434 2.259 20 10 DECDHN Cc1cn[nH]c1CNCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000289718899 403995159 /nfs/dbraw/zinc/99/51/59/403995159.db2.gz CTUNXJCOZQSTAA-UHFFFAOYSA-N 0 3 318.396 2.108 20 10 DECDHN Cc1cnn([C@@H]2CCN(Cc3cc4c(cc3O)OCO4)C2)c1 ZINC000290887041 404351799 /nfs/dbraw/zinc/35/17/99/404351799.db2.gz LDENERINFGLDNK-CYBMUJFWSA-N 0 3 301.346 2.073 20 10 DECDHN OC[C@]1(NCc2ccc3c(c2)CCO3)COc2ccccc2C1 ZINC000527767786 406742651 /nfs/dbraw/zinc/74/26/51/406742651.db2.gz AUZZMMGQQUAORF-IBGZPJMESA-N 0 3 311.381 2.077 20 10 DECDHN COc1ccc(CN[C@@]2(CO)COc3ccccc3C2)cc1C ZINC000527768397 406745096 /nfs/dbraw/zinc/74/50/96/406745096.db2.gz NHUVTWNCOPWDDF-IBGZPJMESA-N 0 3 313.397 2.459 20 10 DECDHN CCOc1ccc(O)c(CN[C@@H]2COc3ccccc3[C@H]2O)c1 ZINC000377400768 227190049 /nfs/dbraw/zinc/19/00/49/227190049.db2.gz GYQZLTHDNFMGFX-CRAIPNDOSA-N 0 3 315.369 2.375 20 10 DECDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2COc3ccccc3[C@H]2O)c1 ZINC000377400768 227190057 /nfs/dbraw/zinc/19/00/57/227190057.db2.gz GYQZLTHDNFMGFX-CRAIPNDOSA-N 0 3 315.369 2.375 20 10 DECDHN COc1ccc(O)c([C@@H](C)NCC2(S(C)(=O)=O)CCC2)c1 ZINC000281183244 295167199 /nfs/dbraw/zinc/16/71/99/295167199.db2.gz QTYDWHUSSVXPGH-LLVKDONJSA-N 0 3 313.419 2.019 20 10 DECDHN C[C@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000186605587 298428777 /nfs/dbraw/zinc/42/87/77/298428777.db2.gz YPFXRFNXLQZLCT-KGLIPLIRSA-N 0 3 309.429 2.208 20 10 DECDHN C[C@@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])N1CCN(C)CC1 ZINC000185364028 333207742 /nfs/dbraw/zinc/20/77/42/333207742.db2.gz RUGWLUNCHDYSTD-STQMWFEESA-N 0 3 311.857 2.332 20 10 DECDHN CC(C)[C@H](C(=O)NCc1ccc(O)c(O)c1)N1CCCCC1 ZINC000182540132 519809784 /nfs/dbraw/zinc/80/97/84/519809784.db2.gz LFNJEBAMRPRJSR-MRXNPFEDSA-N 0 3 306.406 2.225 20 10 DECDHN CCCOc1ccc(C[NH+]2CCC(CC(N)=O)CC2)c([O-])c1 ZINC000159812985 520348809 /nfs/dbraw/zinc/34/88/09/520348809.db2.gz ASBIITJQKHYJFU-UHFFFAOYSA-N 0 3 306.406 2.268 20 10 DECDHN CCN(CC)c1ccc(CNC(=O)/C=C/CN(C)C)cc1F ZINC000265676792 520894986 /nfs/dbraw/zinc/89/49/86/520894986.db2.gz INDAGSLERMWVGX-BQYQJAHWSA-N 0 3 307.413 2.406 20 10 DECDHN CCOc1ccc(O)c(CN2CCN(C3CCOCC3)CC2)c1 ZINC000129793765 521142980 /nfs/dbraw/zinc/14/29/80/521142980.db2.gz XUSSUZDTRLOPSO-UHFFFAOYSA-N 0 3 320.433 2.088 20 10 DECDHN CN1CCCc2cc(CNC(=O)[C@H](CN)c3ccccc3)ccc21 ZINC000237128964 523861076 /nfs/dbraw/zinc/86/10/76/523861076.db2.gz CCTZWRAWYXLSCK-GOSISDBHSA-N 0 3 323.440 2.428 20 10 DECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000180066455 526348831 /nfs/dbraw/zinc/34/88/31/526348831.db2.gz FDZZGDNHOHNVAH-AWEZNQCLSA-N 0 3 308.397 2.076 20 10 DECDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000180066455 526348838 /nfs/dbraw/zinc/34/88/38/526348838.db2.gz FDZZGDNHOHNVAH-AWEZNQCLSA-N 0 3 308.397 2.076 20 10 DECDHN O=C(c1cccc(O)c1[O-])N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000189525720 526772359 /nfs/dbraw/zinc/77/23/59/526772359.db2.gz DYCUUAPCTYIUCV-WFASDCNBSA-N 0 3 316.401 2.187 20 10 DECDHN O=C(c1cccc(O)c1[O-])N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000189525720 526772365 /nfs/dbraw/zinc/77/23/65/526772365.db2.gz DYCUUAPCTYIUCV-WFASDCNBSA-N 0 3 316.401 2.187 20 10 DECDHN CN(C)c1ccc(/C=C\CN2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1 ZINC000835052139 649872426 /nfs/dbraw/zinc/87/24/26/649872426.db2.gz OGHIEBJRVJVKDY-MXTKCAFNSA-N 0 3 315.417 2.196 20 10 DECDHN COc1ccc(CNCc2cccnc2N(C)C)c(O)c1OC ZINC000892570632 625156910 /nfs/dbraw/zinc/15/69/10/625156910.db2.gz PEONUQKGROLSSX-UHFFFAOYSA-N 0 3 317.389 2.160 20 10 DECDHN COc1ccc(CN[C@H](C)c2cn(C)nc2C)c(O)c1OC ZINC000892936550 625735300 /nfs/dbraw/zinc/73/53/00/625735300.db2.gz PQEIGAIRCKGIPL-SNVBAGLBSA-N 0 3 305.378 2.302 20 10 DECDHN COc1ccc(C[NH2+]Cc2cccc(C(=O)N(C)C)c2)c([O-])c1 ZINC000725844293 625909630 /nfs/dbraw/zinc/90/96/30/625909630.db2.gz SQAKAKCADPXNDU-UHFFFAOYSA-N 0 3 314.385 2.392 20 10 DECDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000840934627 634782868 /nfs/dbraw/zinc/78/28/68/634782868.db2.gz SWSYBEMXWSOTML-LXZKKBNFSA-N 0 3 301.434 2.160 20 10 DECDHN COc1ccc(O)c(CNCc2cccc3c2OCCO3)c1 ZINC000734003654 633309359 /nfs/dbraw/zinc/30/93/59/633309359.db2.gz QJTIQLGKXIYFJB-UHFFFAOYSA-N 0 3 301.342 2.462 20 10 DECDHN C[N@@H+]1CCC[C@@H](CCNC(=O)NCc2c([O-])cccc2F)C1 ZINC000922854839 636441477 /nfs/dbraw/zinc/44/14/77/636441477.db2.gz YIAJXXMVTIXFNF-LBPRGKRZSA-N 0 3 309.385 2.062 20 10 DECDHN C[N@H+]1CCC[C@@H](CCNC(=O)NCc2c([O-])cccc2F)C1 ZINC000922854839 636441480 /nfs/dbraw/zinc/44/14/80/636441480.db2.gz YIAJXXMVTIXFNF-LBPRGKRZSA-N 0 3 309.385 2.062 20 10 DECDHN COc1ccc(CNCc2cnc3n2CCCC3)c(O)c1OC ZINC000894304791 636763483 /nfs/dbraw/zinc/76/34/83/636763483.db2.gz HJIIRCSUILKFHB-UHFFFAOYSA-N 0 3 317.389 2.232 20 10 DECDHN [O-]c1cc2c(cc1C[NH2+][C@@H](C1CC1)[C@H]1CCCOC1)OCO2 ZINC000922895179 636780796 /nfs/dbraw/zinc/78/07/96/636780796.db2.gz CUSAUWIBKRLVPO-SJCJKPOMSA-N 0 3 305.374 2.416 20 10 DECDHN CC[C@H](O)CCNCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894352731 636926431 /nfs/dbraw/zinc/92/64/31/636926431.db2.gz RQOPNGLRHGDNFL-LBPRGKRZSA-N 0 3 322.380 2.355 20 10 DECDHN Fc1cc(CNCc2cc[nH]c2)cc(F)c1N1CCOCC1 ZINC000839146337 637789074 /nfs/dbraw/zinc/78/90/74/637789074.db2.gz DCKDZFJRWXSKGA-UHFFFAOYSA-N 0 3 307.344 2.419 20 10 DECDHN COc1ccc([C@H](CO)C[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000839185530 637813104 /nfs/dbraw/zinc/81/31/04/637813104.db2.gz VRWTYMWKGGDOQJ-AWEZNQCLSA-N 0 3 305.349 2.406 20 10 DECDHN COc1ccc(CNC[C@H]2CC(C)=NO2)cc1Cn1cccn1 ZINC000895302469 637909242 /nfs/dbraw/zinc/90/92/42/637909242.db2.gz RLSCCLGWZWSQNR-MRXNPFEDSA-N 0 3 314.389 2.194 20 10 DECDHN COc1cc(C)cc(CN[C@](C)(CO)c2cccc(O)c2)c1O ZINC000895390253 637994288 /nfs/dbraw/zinc/99/42/88/637994288.db2.gz VJOSIFZYNVOLGH-GOSISDBHSA-N 0 3 317.385 2.412 20 10 DECDHN COC(=O)c1c(CN[C@H]2C[C@H](OC)C2)c2cc(F)ccc2n1C ZINC000895413475 638010353 /nfs/dbraw/zinc/01/03/53/638010353.db2.gz FAONWCFBBGZSIY-HAQNSBGRSA-N 0 3 320.364 2.371 20 10 DECDHN Cc1cc(N(C)C)ccc1CN1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000840941017 650390462 /nfs/dbraw/zinc/39/04/62/650390462.db2.gz NBYVDFCDONXPTQ-CRAIPNDOSA-N 0 3 304.434 2.441 20 10 DECDHN Cc1cc(N(C)C)ccc1CN1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000840941421 650391721 /nfs/dbraw/zinc/39/17/21/650391721.db2.gz WRWFGEUHMROWOM-CRAIPNDOSA-N 0 3 304.434 2.441 20 10 DECDHN COc1c([O-])c(C[NH2+][C@H](CN)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000841039115 650412097 /nfs/dbraw/zinc/41/20/97/650412097.db2.gz AXQRIBQYUTWLPA-CYBMUJFWSA-N 0 3 323.393 2.306 20 10 DECDHN CN1CCC[C@@H](NCc2ccc(N3CCCCC3)cc2)C1=O ZINC000748243268 638534372 /nfs/dbraw/zinc/53/43/72/638534372.db2.gz WWFNGRMXEDETCT-QGZVFWFLSA-N 0 3 301.434 2.387 20 10 DECDHN Cc1cccc([O-])c1C[NH2+]CCc1ccccc1S(C)(=O)=O ZINC000896814893 638691149 /nfs/dbraw/zinc/69/11/49/638691149.db2.gz ZTBDWRSCZSJXRH-UHFFFAOYSA-N 0 3 319.426 2.436 20 10 DECDHN CCOCCOCC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000897204017 639240598 /nfs/dbraw/zinc/24/05/98/639240598.db2.gz IHIZBYJAKCYPEM-UHFFFAOYSA-N 0 3 303.786 2.197 20 10 DECDHN C[C@@H]1C[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)c2c1c(F)ccc2[O-] ZINC000756368983 639654715 /nfs/dbraw/zinc/65/47/15/639654715.db2.gz AIFLQPKETQWAHD-FOGDFJRCSA-N 0 3 313.394 2.104 20 10 DECDHN C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)[C@H](C)CN1 ZINC000841709374 650546881 /nfs/dbraw/zinc/54/68/81/650546881.db2.gz DXPCPPKHHYMVSN-HUUCEWRRSA-N 0 3 316.449 2.179 20 10 DECDHN COc1cccc([O-])c1C[N@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000898142930 641035624 /nfs/dbraw/zinc/03/56/24/641035624.db2.gz UIGPKUFBIQNLAY-CRAIPNDOSA-N 0 3 313.397 2.436 20 10 DECDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000898142930 641035628 /nfs/dbraw/zinc/03/56/28/641035628.db2.gz UIGPKUFBIQNLAY-CRAIPNDOSA-N 0 3 313.397 2.436 20 10 DECDHN CCN(C)c1ccc(CN2CCC[C@@H](N3CCNC3=O)C2)cc1 ZINC000773753845 641819699 /nfs/dbraw/zinc/81/96/99/641819699.db2.gz BICCBNVYUUQKNK-QGZVFWFLSA-N 0 3 316.449 2.132 20 10 DECDHN CCN(C)c1ccc(CN2CC[C@H](N3CCCC3=O)C2)cc1 ZINC000773818192 641826098 /nfs/dbraw/zinc/82/60/98/641826098.db2.gz OAQWDSDOKJCABN-KRWDZBQOSA-N 0 3 301.434 2.339 20 10 DECDHN CC(C)NC(=O)NC(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774482575 641909048 /nfs/dbraw/zinc/90/90/48/641909048.db2.gz LWFYRSREPNRODO-CHWSQXEVSA-N 0 3 320.437 2.026 20 10 DECDHN CCON(CC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899097500 641931224 /nfs/dbraw/zinc/93/12/24/641931224.db2.gz BJDQWZPHJYBIIH-MRXNPFEDSA-N 0 3 322.453 2.338 20 10 DECDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccc(O)cc2)c1 ZINC000775374767 642036644 /nfs/dbraw/zinc/03/66/44/642036644.db2.gz DRCPFDMGTQPVPK-NSHDSACASA-N 0 3 316.357 2.396 20 10 DECDHN C[C@@H](N[C@@H](C)C(=O)NC[C@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000775834923 642103083 /nfs/dbraw/zinc/10/30/83/642103083.db2.gz VXVCBHYZKYNFLP-JKIFEVAISA-N 0 3 319.449 2.087 20 10 DECDHN C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)CN1C ZINC000775984945 642119399 /nfs/dbraw/zinc/11/93/99/642119399.db2.gz IPWFFVCXDDHMGK-CABCVRRESA-N 0 3 321.440 2.187 20 10 DECDHN COc1ccc(O)c(CN[C@H]2CCN(C3CCCCC3)C2=O)c1 ZINC000776253060 642149270 /nfs/dbraw/zinc/14/92/70/642149270.db2.gz MJPGPHVTGLRTHF-INIZCTEOSA-N 0 3 318.417 2.424 20 10 DECDHN CC1(C)C[NH2+]CC[C@H]1NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841071786 642558169 /nfs/dbraw/zinc/55/81/69/642558169.db2.gz BKCRTUBRIMBHKK-GFCCVEGCSA-N 0 3 313.785 2.432 20 10 DECDHN CC1(C)CNCC[C@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841071786 642558170 /nfs/dbraw/zinc/55/81/70/642558170.db2.gz BKCRTUBRIMBHKK-GFCCVEGCSA-N 0 3 313.785 2.432 20 10 DECDHN Cc1ccc(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c([O-])c1O ZINC000780933392 642691781 /nfs/dbraw/zinc/69/17/81/642691781.db2.gz WUZVFQSTMCCQEZ-STQMWFEESA-N 0 3 306.406 2.399 20 10 DECDHN C[C@@H]1CN(CC(C)(C)O)CCN1Cc1ccc(N(C)C)c(F)c1 ZINC000783701921 643038728 /nfs/dbraw/zinc/03/87/28/643038728.db2.gz AOBNKSDPEYOLBY-CQSZACIVSA-N 0 3 323.456 2.169 20 10 DECDHN CC(=O)c1cc(F)cc(CN2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1[O-] ZINC000903517489 643374990 /nfs/dbraw/zinc/37/49/90/643374990.db2.gz DMLRJBLORJXRJS-VXGBXAGGSA-N 0 3 320.286 2.055 20 10 DECDHN CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC(C)(C)C[NH3+] ZINC000843056705 650879545 /nfs/dbraw/zinc/87/95/45/650879545.db2.gz WYWSZLJJMBTZDD-UHFFFAOYSA-N 0 3 301.774 2.371 20 10 DECDHN CN(C)c1ccc(CNCC[S@](C)=O)c(C(F)(F)F)c1 ZINC000792993257 644177450 /nfs/dbraw/zinc/17/74/50/644177450.db2.gz SRMFVRVHADGLKA-FQEVSTJZSA-N 0 3 308.369 2.240 20 10 DECDHN COc1ccc(CN[C@@H](CCSC)C(=O)N(C)C)cc1C ZINC000808438992 646085166 /nfs/dbraw/zinc/08/51/66/646085166.db2.gz TTXMYCGBTJYDOS-AWEZNQCLSA-N 0 3 310.463 2.303 20 10 DECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCn2cc(CO)nn2)c1[O-] ZINC000810244048 646343016 /nfs/dbraw/zinc/34/30/16/646343016.db2.gz NSMLMCOFKBJSNL-LLVKDONJSA-N 0 3 324.812 2.179 20 10 DECDHN COCC[C@@H]1COCC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000812298593 646628956 /nfs/dbraw/zinc/62/89/56/646628956.db2.gz XVJKOSGNYQPGFJ-CQSZACIVSA-N 0 3 302.374 2.178 20 10 DECDHN COCC[C@@H]1COCC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000812298593 646628957 /nfs/dbraw/zinc/62/89/57/646628957.db2.gz XVJKOSGNYQPGFJ-CQSZACIVSA-N 0 3 302.374 2.178 20 10 DECDHN COc1ccc(N2CCC(NCc3ccn(C)n3)CC2)cc1 ZINC000812840560 646703958 /nfs/dbraw/zinc/70/39/58/646703958.db2.gz IGXBYMBPXGUZDY-UHFFFAOYSA-N 0 3 300.406 2.187 20 10 DECDHN COc1cccc(CNCc2ccc3c(c2)NC(=O)CO3)c1O ZINC000816610714 647158261 /nfs/dbraw/zinc/15/82/61/647158261.db2.gz VNKHNFKTAADSIL-UHFFFAOYSA-N 0 3 314.341 2.022 20 10 DECDHN CC[C@@H]([NH2+]C[C@@H]1CNCCO1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817982807 647400079 /nfs/dbraw/zinc/40/00/79/647400079.db2.gz HNAVQXLFVZVPBQ-WCQYABFASA-N 0 3 318.339 2.440 20 10 DECDHN C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC000921330103 648289705 /nfs/dbraw/zinc/28/97/05/648289705.db2.gz CLKJEYKQGZBZOM-NEPJUHHUSA-N 0 3 309.385 2.203 20 10 DECDHN CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1c([O-])cccc1F ZINC000921437721 648317342 /nfs/dbraw/zinc/31/73/42/648317342.db2.gz FQSZIHJLKZFJMI-LBPRGKRZSA-N 0 3 309.385 2.205 20 10 DECDHN CC(C)CN(CCN(C)C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181045484 648539787 /nfs/dbraw/zinc/53/97/87/648539787.db2.gz SBZRBUNVZXIMRH-SOFGYWHQSA-N 0 3 306.406 2.157 20 10 DECDHN CCOc1ccc(C[NH2+][C@H](C(=O)N(C)CC)C(C)C)c([O-])c1 ZINC000824677888 648634569 /nfs/dbraw/zinc/63/45/69/648634569.db2.gz KOPZHWUFFKXRFQ-INIZCTEOSA-N 0 3 308.422 2.383 20 10 DECDHN COCC(COC)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000824922212 648672457 /nfs/dbraw/zinc/67/24/57/648672457.db2.gz YBOWWDLMPRAADP-UHFFFAOYSA-N 0 3 318.211 2.214 20 10 DECDHN COc1cc(Cl)cc(C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)c1[O-] ZINC000825130255 648708261 /nfs/dbraw/zinc/70/82/61/648708261.db2.gz QQULGZMDNBVHAM-ZWNOBZJWSA-N 0 3 315.797 2.026 20 10 DECDHN COc1cc(Cl)cc(C[N@@H+](CCO)[C@@H]2CCO[C@@H]2C)c1[O-] ZINC000825130255 648708264 /nfs/dbraw/zinc/70/82/64/648708264.db2.gz QQULGZMDNBVHAM-ZWNOBZJWSA-N 0 3 315.797 2.026 20 10 DECDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CCC(CO)(CO)C1 ZINC000827481485 649040507 /nfs/dbraw/zinc/04/05/07/649040507.db2.gz OEPTWIFKFNKSOG-UHFFFAOYSA-N 0 3 313.397 2.236 20 10 DECDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CCC(CO)(CO)C1 ZINC000827481485 649040509 /nfs/dbraw/zinc/04/05/09/649040509.db2.gz OEPTWIFKFNKSOG-UHFFFAOYSA-N 0 3 313.397 2.236 20 10 DECDHN Cc1cc([O-])c(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1Cl ZINC000827698662 649070126 /nfs/dbraw/zinc/07/01/26/649070126.db2.gz ALFODENUUNETGP-OAHLLOKOSA-N 0 3 324.852 2.385 20 10 DECDHN Cc1cc([O-])c(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1Cl ZINC000827698662 649070129 /nfs/dbraw/zinc/07/01/29/649070129.db2.gz ALFODENUUNETGP-OAHLLOKOSA-N 0 3 324.852 2.385 20 10 DECDHN COc1cc(Br)cc(C[N@H+](C)[C@@H](C)CCO)c1[O-] ZINC000846109114 651308389 /nfs/dbraw/zinc/30/83/89/651308389.db2.gz DCALBVBYWVVSCH-VIFPVBQESA-N 0 3 318.211 2.366 20 10 DECDHN COc1cc(Br)cc(C[N@@H+](C)[C@@H](C)CCO)c1[O-] ZINC000846109114 651308391 /nfs/dbraw/zinc/30/83/91/651308391.db2.gz DCALBVBYWVVSCH-VIFPVBQESA-N 0 3 318.211 2.366 20 10 DECDHN COc1cc(Br)cc([C@H](C)[NH2+]CCN(C)C)c1[O-] ZINC000848550955 651469532 /nfs/dbraw/zinc/46/95/32/651469532.db2.gz ZUJQTWAAHRXDAJ-VIFPVBQESA-N 0 3 317.227 2.376 20 10 DECDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC[C@H]2O)c1[O-] ZINC000848555611 651470135 /nfs/dbraw/zinc/47/01/35/651470135.db2.gz UZQJWZXPYBCUJR-WHGOUJPWSA-N 0 3 316.195 2.337 20 10 DECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000848930251 651565441 /nfs/dbraw/zinc/56/54/41/651565441.db2.gz PIBLTGWOTAZTCC-INIZCTEOSA-N 0 3 308.397 2.218 20 10 DECDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000848930251 651565446 /nfs/dbraw/zinc/56/54/46/651565446.db2.gz PIBLTGWOTAZTCC-INIZCTEOSA-N 0 3 308.397 2.218 20 10 DECDHN CCN(OC)C(=O)CNCc1cc(OC)cc(C(C)(C)C)c1O ZINC000850339022 651903271 /nfs/dbraw/zinc/90/32/71/651903271.db2.gz NHCVUMFLMIODFV-UHFFFAOYSA-N 0 3 324.421 2.198 20 10 DECDHN CCOc1ccc(C[NH2+][C@H](COC)C2CCOCC2)c([O-])c1 ZINC000850351196 651908505 /nfs/dbraw/zinc/90/85/05/651908505.db2.gz KQQCNWUJMBCRGQ-MRXNPFEDSA-N 0 3 309.406 2.322 20 10 DECDHN O=C1N(CC[NH2+][C@@H]2CCc3cccc([O-])c32)C[C@@H]2CCCCN12 ZINC000850560371 651953464 /nfs/dbraw/zinc/95/34/64/651953464.db2.gz DPOFWDPIJZGCTM-LSDHHAIUSA-N 0 3 315.417 2.259 20 10 DECDHN CN(C)c1cc(F)c(CNCCN2CCSCC2)cc1F ZINC000858135581 652262999 /nfs/dbraw/zinc/26/29/99/652262999.db2.gz YPLZXVYOALFLTB-UHFFFAOYSA-N 0 3 315.433 2.169 20 10 DECDHN C[C@@H](CO[C@H]1CCOC1)NCc1cc(F)c(N(C)C)cc1F ZINC000858149628 652267104 /nfs/dbraw/zinc/26/71/04/652267104.db2.gz QDESSMTVCNMASN-AAEUAGOBSA-N 0 3 314.376 2.314 20 10 DECDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCCN1CC(F)F ZINC000858231045 652285423 /nfs/dbraw/zinc/28/54/23/652285423.db2.gz JIBFPHDDIJYRGS-LLVKDONJSA-N 0 3 300.349 2.220 20 10 DECDHN COC(=O)[C@H]1C[C@@H](N(C)Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000852696749 652440411 /nfs/dbraw/zinc/44/04/11/652440411.db2.gz QGQHJTZWCJQROZ-GSJFWJNXSA-N 0 3 309.337 2.117 20 10 DECDHN CN(Cc1cc(C(C)(C)C)cc(O)c1O)C[C@H]1COCCO1 ZINC000853558872 652568194 /nfs/dbraw/zinc/56/81/94/652568194.db2.gz KVECFKOBXMUEJP-AWEZNQCLSA-N 0 3 309.406 2.243 20 10 DECDHN CCCCCCN(C)CC(=O)NCCc1ccc(O)c(O)c1 ZINC000122635999 684117534 /nfs/dbraw/zinc/11/75/34/684117534.db2.gz DGFIBMWNBPANGQ-UHFFFAOYSA-N 0 3 308.422 2.269 20 10 DECDHN CC[C@@H](C(=O)NC1CCN(c2ccc(OC)cc2)CC1)N(C)C ZINC000125076292 684141760 /nfs/dbraw/zinc/14/17/60/684141760.db2.gz YIDHSKUKWJBCRW-KRWDZBQOSA-N 0 3 319.449 2.120 20 10 DECDHN CN(C)[C@H](CNC(=O)c1cccc(O)c1O)c1ccccc1 ZINC000188055821 684347907 /nfs/dbraw/zinc/34/79/07/684347907.db2.gz QUIWUBZONWRYBQ-CQSZACIVSA-N 0 3 300.358 2.131 20 10 DECDHN COc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)c1[O-] ZINC000862427871 686300700 /nfs/dbraw/zinc/30/07/00/686300700.db2.gz GNRBODPRCAWWEQ-GFCCVEGCSA-N 0 3 312.797 2.107 20 10 DECDHN COc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)c1[O-] ZINC000862427871 686300702 /nfs/dbraw/zinc/30/07/02/686300702.db2.gz GNRBODPRCAWWEQ-GFCCVEGCSA-N 0 3 312.797 2.107 20 10 DECDHN Cc1ccc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)c([O-])c1 ZINC000876685086 689902308 /nfs/dbraw/zinc/90/23/08/689902308.db2.gz XONVVJZTBPRRRN-KRWDZBQOSA-N 0 3 304.434 2.387 20 10 DECDHN Cc1ccc(C[N@H+]2CCCC[C@H]2CN2CCOCC2)c([O-])c1 ZINC000876685086 689902310 /nfs/dbraw/zinc/90/23/10/689902310.db2.gz XONVVJZTBPRRRN-KRWDZBQOSA-N 0 3 304.434 2.387 20 10 DECDHN COCC1(C)CN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877582047 690158401 /nfs/dbraw/zinc/15/84/01/690158401.db2.gz FWQPDBUKENDCRU-UHFFFAOYSA-N 0 3 304.434 2.116 20 10 DECDHN COc1ccc(N2CC[C@H](NCc3snnc3C)C2)cc1 ZINC000877620736 690169524 /nfs/dbraw/zinc/16/95/24/690169524.db2.gz MTAYFKSAXDBQJK-LBPRGKRZSA-N 0 3 304.419 2.224 20 10 DECDHN CCOc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@]3(C(=O)OC)C2)c([O-])c1 ZINC000877722792 690204860 /nfs/dbraw/zinc/20/48/60/690204860.db2.gz JYULWKXZDGSCSU-OGHNNQOOSA-N 0 3 305.374 2.222 20 10 DECDHN COC(=O)CCCN1CCC([NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000877757092 690217855 /nfs/dbraw/zinc/21/78/55/690217855.db2.gz FSZLUHZTUKKPOK-AWEZNQCLSA-N 0 3 320.433 2.460 20 10 DECDHN O=[N+]([O-])c1cc(CN[C@]23C[C@H]2COC3)ccc1N1CCCCC1 ZINC000886201700 692022484 /nfs/dbraw/zinc/02/24/84/692022484.db2.gz OBHPQRDFOPYILO-YOEHRIQHSA-N 0 3 317.389 2.464 20 10 DECDHN COc1cc(Br)cc(C[NH2+][C@]23C[C@H]2COC3)c1[O-] ZINC000886201678 692022551 /nfs/dbraw/zinc/02/25/51/692022551.db2.gz NIXFFNHVSCAXLH-ZANVPECISA-N 0 3 314.179 2.042 20 10 DECDHN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000925322757 693256340 /nfs/dbraw/zinc/25/63/40/693256340.db2.gz BNYDRIGXNFVEQR-DZGCQCFKSA-N 0 3 305.422 2.406 20 10 DECDHN CC[C@@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1ccc(C)cc1[O-] ZINC000927147572 693560738 /nfs/dbraw/zinc/56/07/38/693560738.db2.gz SVCKAWVTDKZTKF-GXTWGEPZSA-N 0 3 300.406 2.427 20 10 DECDHN Oc1cc2c(cc1CN1CC(CC3CCOCC3)C1)OCO2 ZINC001333718049 1150082840 /nfs/dbraw/zinc/08/28/40/1150082840.db2.gz DZTMRWDPBMOTQV-UHFFFAOYSA-N 0 3 305.374 2.369 20 10 DECDHN CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)c2cccc(O)c2[O-])CC1 ZINC001148224970 791713864 /nfs/dbraw/zinc/71/38/64/791713864.db2.gz APCLMYYWAXKUFQ-BETUJISGSA-N 0 3 306.406 2.481 20 10 DECDHN [NH3+]C1(CC2CCC2)CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC001148223952 791714008 /nfs/dbraw/zinc/71/40/08/791714008.db2.gz ASEPMIXSVMAVCS-UHFFFAOYSA-N 0 3 304.390 2.222 20 10 DECDHN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H](CO)c1cnn(C)c1 ZINC001116567152 794969624 /nfs/dbraw/zinc/96/96/24/794969624.db2.gz BIYZVKONPSNQRZ-XBFCOCLRSA-N 0 3 301.390 2.306 20 10 DECDHN COc1cc(CN2CCC3(CCOCC3)CC2)cc(O)c1O ZINC001204346470 795713603 /nfs/dbraw/zinc/71/36/03/795713603.db2.gz QODAIRAUXGLVFK-UHFFFAOYSA-N 0 3 307.390 2.499 20 10 DECDHN C[C@]1(O)COCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138215417 796184145 /nfs/dbraw/zinc/18/41/45/796184145.db2.gz FBOSDCOKRAFLKP-GOSISDBHSA-N 0 3 304.434 2.260 20 10 DECDHN CN1CCN(c2ccc(CN3CCC(=O)C(C)(C)C3)cc2)CC1 ZINC001139413568 796373887 /nfs/dbraw/zinc/37/38/87/796373887.db2.gz XFDJMAHBQDFQGL-UHFFFAOYSA-N 0 3 315.461 2.239 20 10 DECDHN CCN1CCN(c2ccc(CN3CCOC[C@@H]3C)cc2)CC1 ZINC001140302352 796503280 /nfs/dbraw/zinc/50/32/80/796503280.db2.gz PDEQBAMXRVONIQ-INIZCTEOSA-N 0 3 303.450 2.049 20 10 DECDHN OC[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140660333 796552040 /nfs/dbraw/zinc/55/20/40/796552040.db2.gz OLXGUEKSAFPNLY-OAHLLOKOSA-N 0 3 322.424 2.257 20 10 DECDHN COc1cc([O-])c(C[N@H+](C)CCc2cccnc2)c(OC)c1 ZINC001141028366 796620718 /nfs/dbraw/zinc/62/07/18/796620718.db2.gz LZXNTAMMHZTFCZ-UHFFFAOYSA-N 0 3 302.374 2.479 20 10 DECDHN COc1cc([O-])c(C[N@@H+](C)CCc2cccnc2)c(OC)c1 ZINC001141028366 796620719 /nfs/dbraw/zinc/62/07/19/796620719.db2.gz LZXNTAMMHZTFCZ-UHFFFAOYSA-N 0 3 302.374 2.479 20 10 DECDHN COCCN(CCOC)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141074324 796631929 /nfs/dbraw/zinc/63/19/29/796631929.db2.gz FECWWJNEJKJIHU-UHFFFAOYSA-N 0 3 318.461 2.480 20 10 DECDHN CN1CCOc2cc(CN3CCC[C@@]4(CCC(=O)O4)C3)ccc21 ZINC001141145682 796640313 /nfs/dbraw/zinc/64/03/13/796640313.db2.gz YCBNTIGALCOAMS-GOSISDBHSA-N 0 3 316.401 2.187 20 10 DECDHN Oc1ccc(O)c(CN2CCN(CCc3ccccc3)CC2)c1 ZINC001141158716 796642030 /nfs/dbraw/zinc/64/20/30/796642030.db2.gz KVDRICJRNOEZGR-UHFFFAOYSA-N 0 3 312.413 2.458 20 10 DECDHN CC(C)(C)c1cccc(CN2CCN3CCOC[C@@H]3C2)c1O ZINC001143103857 796802682 /nfs/dbraw/zinc/80/26/82/796802682.db2.gz LXUZSKRHKHETRS-HNNXBMFYSA-N 0 3 304.434 2.206 20 10 DECDHN N[C@H](C(=O)N1CCc2cccc(O)c2C1)C1Cc2ccccc2C1 ZINC001160872642 798752212 /nfs/dbraw/zinc/75/22/12/798752212.db2.gz NSULIPUMQHDFFR-IBGZPJMESA-N 0 3 322.408 2.019 20 10 DECDHN CN[C@H](C(=O)N1CCc2cccc(O)c2C1)[C@@H](C)OC(C)(C)C ZINC001160872657 798752532 /nfs/dbraw/zinc/75/25/32/798752532.db2.gz OFGWNPQGUWGPPO-WBMJQRKESA-N 0 3 320.433 2.069 20 10 DECDHN COc1ccc(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c([O-])c1 ZINC001203621463 800091433 /nfs/dbraw/zinc/09/14/33/800091433.db2.gz VENLHJDQLRGDKS-CYBMUJFWSA-N 0 3 305.296 2.148 20 10 DECDHN COc1ccc(C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)c([O-])c1 ZINC001203621463 800091436 /nfs/dbraw/zinc/09/14/36/800091436.db2.gz VENLHJDQLRGDKS-CYBMUJFWSA-N 0 3 305.296 2.148 20 10 DECDHN COc1ccc(CN2CC[C@@](CO)(C(F)(F)F)C2)c(O)c1 ZINC001203621463 800091443 /nfs/dbraw/zinc/09/14/43/800091443.db2.gz VENLHJDQLRGDKS-CYBMUJFWSA-N 0 3 305.296 2.148 20 10 DECDHN COc1ccc(C[NH+]2CCC(C)(N3CCOCC3)CC2)c([O-])c1 ZINC001203629371 800093887 /nfs/dbraw/zinc/09/38/87/800093887.db2.gz YMPIDSFTGZZVCF-UHFFFAOYSA-N 0 3 320.433 2.088 20 10 DECDHN CC(C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(O)cc3[O-])CC[C@@H]21 ZINC001204274088 800198467 /nfs/dbraw/zinc/19/84/67/800198467.db2.gz IAKALGLYZLIWIQ-BBRMVZONSA-N 0 3 318.417 2.177 20 10 DECDHN CC(C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(O)cc3[O-])CC[C@@H]21 ZINC001204274088 800198469 /nfs/dbraw/zinc/19/84/69/800198469.db2.gz IAKALGLYZLIWIQ-BBRMVZONSA-N 0 3 318.417 2.177 20 10 DECDHN O=C1CC[C@H]2[C@H](CC[N@H+]2Cc2ccc(O)cc2[O-])N1CC1CC1 ZINC001204272652 800198496 /nfs/dbraw/zinc/19/84/96/800198496.db2.gz FMLXGKLNMSMRSY-HOTGVXAUSA-N 0 3 316.401 2.073 20 10 DECDHN O=C1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccc(O)cc2[O-])N1CC1CC1 ZINC001204272652 800198500 /nfs/dbraw/zinc/19/85/00/800198500.db2.gz FMLXGKLNMSMRSY-HOTGVXAUSA-N 0 3 316.401 2.073 20 10 DECDHN CCN(CC)C(=O)NC1CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204278097 800199082 /nfs/dbraw/zinc/19/90/82/800199082.db2.gz SVJJNHJJRLYZAI-UHFFFAOYSA-N 0 3 321.421 2.114 20 10 DECDHN COC(=O)[C@H]1CN(Cc2ccc(O)cc2O)Cc2ccccc21 ZINC001204277851 800199399 /nfs/dbraw/zinc/19/93/99/800199399.db2.gz MJBKRIMVVYAFED-INIZCTEOSA-N 0 3 313.353 2.370 20 10 DECDHN Cc1cccnc1O[C@H]1CC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204283000 800200203 /nfs/dbraw/zinc/20/02/03/800200203.db2.gz WDSIZZFQXKDGIV-HNNXBMFYSA-N 0 3 300.358 2.455 20 10 DECDHN Cc1cccnc1O[C@H]1CC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204283000 800200207 /nfs/dbraw/zinc/20/02/07/800200207.db2.gz WDSIZZFQXKDGIV-HNNXBMFYSA-N 0 3 300.358 2.455 20 10 DECDHN Oc1cccc(N2CCN(Cc3ccc(O)cc3O)CC2)c1 ZINC001204279618 800200352 /nfs/dbraw/zinc/20/03/52/800200352.db2.gz CTOXVKFEYWECEP-UHFFFAOYSA-N 0 3 300.358 2.126 20 10 DECDHN Cc1cc(=O)oc2c1ccc([O-])c2CN1CCC[C@@H]([NH3+])CC1 ZINC001205101303 800296073 /nfs/dbraw/zinc/29/60/73/800296073.db2.gz CYPYVUXTZQOQIO-GFCCVEGCSA-N 0 3 302.374 2.120 20 10 DECDHN Cc1cccc(CN2CCN(c3ccc(Cl)nn3)CC2)c1O ZINC001231593725 801692104 /nfs/dbraw/zinc/69/21/04/801692104.db2.gz LMAWJCGNEQWIBJ-UHFFFAOYSA-N 0 3 318.808 2.466 20 10 DECDHN [O-]c1c(C[NH+]2CCN(CCCO)CC2)ccc2ccccc21 ZINC001231879337 801741884 /nfs/dbraw/zinc/74/18/84/801741884.db2.gz BRKVPPXHXCJFON-UHFFFAOYSA-N 0 3 300.402 2.045 20 10 DECDHN CCOC(=O)c1c(CN2CC[C@@H](CO)C2)c2ccccc2n1C ZINC001233272337 802059420 /nfs/dbraw/zinc/05/94/20/802059420.db2.gz HKOWUHQEJQPCDR-CYBMUJFWSA-N 0 3 316.401 2.169 20 10 DECDHN C[C@@]1(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])CC[NH2+]C1 ZINC001220212657 802426666 /nfs/dbraw/zinc/42/66/66/802426666.db2.gz RHLGVPWPCJPJJN-MRXNPFEDSA-N 0 3 319.792 2.210 20 10 DECDHN CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc(N(C)C)cc3)C[C@H]1N2C ZINC001227939336 803297520 /nfs/dbraw/zinc/29/75/20/803297520.db2.gz SKJKKSXCNSMPAO-DZJNRPSUSA-N 0 3 318.417 2.298 20 10 DECDHN C[C@@H]1C[C@H]2CC[C@H](C(=O)NCc3c([O-])cccc3F)C[N@@H+]2C1 ZINC001529018833 1070815327 /nfs/dbraw/zinc/81/53/27/1070815327.db2.gz VONSFDOPIUNCPQ-FRRDWIJNSA-N 0 3 306.381 2.268 20 10 DECDHN C[C@@H]1C[C@H]2CC[C@H](C(=O)NCc3c([O-])cccc3F)C[N@H+]2C1 ZINC001529018833 1070815359 /nfs/dbraw/zinc/81/53/59/1070815359.db2.gz VONSFDOPIUNCPQ-FRRDWIJNSA-N 0 3 306.381 2.268 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c([O-])c1 ZINC001474554129 1060893610 /nfs/dbraw/zinc/89/36/10/1060893610.db2.gz FABQNCMWXAOOPJ-AWEZNQCLSA-N 0 3 318.417 2.154 20 10 DECDHN COc1cc(C)c(C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)c([O-])c1 ZINC001474554129 1060893623 /nfs/dbraw/zinc/89/36/23/1060893623.db2.gz FABQNCMWXAOOPJ-AWEZNQCLSA-N 0 3 318.417 2.154 20 10 DECDHN COc1cc(C)c(CN2CCO[C@@]3(CCO[C@@H]3C)C2)c(O)c1 ZINC001621306700 1078171925 /nfs/dbraw/zinc/17/19/25/1078171925.db2.gz SMOPDGMURCCECW-DYVFJYSZSA-N 0 3 307.390 2.089 20 10 DECDHN COc1cc(C)c(CN2CCO[C@@]3(CCO[C@H]3C)C2)c(O)c1 ZINC001621306701 1078172073 /nfs/dbraw/zinc/17/20/73/1078172073.db2.gz SMOPDGMURCCECW-GUYCJALGSA-N 0 3 307.390 2.089 20 10 DECDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001632762368 1078391100 /nfs/dbraw/zinc/39/11/00/1078391100.db2.gz ZVTVBTWKOWXLKJ-CYBMUJFWSA-N 0 3 317.393 2.452 20 10 DECDHN C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCc1c([O-])cccc1F ZINC001635001063 1078441866 /nfs/dbraw/zinc/44/18/66/1078441866.db2.gz AFZGALYBPSGYAS-OAHLLOKOSA-N 0 3 323.412 2.451 20 10 DECDHN C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCc1c([O-])cccc1F ZINC001635001063 1078441868 /nfs/dbraw/zinc/44/18/68/1078441868.db2.gz AFZGALYBPSGYAS-OAHLLOKOSA-N 0 3 323.412 2.451 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c([O-])c1 ZINC001659130866 1080232271 /nfs/dbraw/zinc/23/22/71/1080232271.db2.gz NSAPVMLVEWOIJW-CYBMUJFWSA-N 0 3 301.390 2.432 20 10 DECDHN COc1cc(C)c(C[N@H+]2CC[C@@H](c3nccn3C)C2)c([O-])c1 ZINC001659130866 1080232280 /nfs/dbraw/zinc/23/22/80/1080232280.db2.gz NSAPVMLVEWOIJW-CYBMUJFWSA-N 0 3 301.390 2.432 20 10 DECDHN Cc1cc(O)c(CN2C[C@H](O)C[C@H]2C)cc1Br ZINC001237678151 1080472683 /nfs/dbraw/zinc/47/26/83/1080472683.db2.gz VGYYQHDYHCVORT-MWLCHTKSSA-N 0 3 300.196 2.418 20 10 DECDHN COc1ccc(CNC/C=C\CNC(=O)c2cc[nH]c2)cc1C ZINC001268539366 1080734319 /nfs/dbraw/zinc/73/43/19/1080734319.db2.gz HUTMRKGHGAFFJW-ARJAWSKDSA-N 0 3 313.401 2.408 20 10 DECDHN COC(=O)N1CCC([NH2+]Cc2c(C)cc(OC)cc2[O-])CC1 ZINC001664470734 1080913331 /nfs/dbraw/zinc/91/33/31/1080913331.db2.gz LVQVZYMRVQPFRH-UHFFFAOYSA-N 0 3 308.378 2.030 20 10 DECDHN [NH3+][C@@]12CCC[C@@H]1CN(Cc1c([O-])cccc1Br)C2 ZINC001235246536 1084359122 /nfs/dbraw/zinc/35/91/22/1084359122.db2.gz YXIWQOUETNLFIY-QMTHXVAHSA-N 0 3 311.223 2.468 20 10 DECDHN CC[C@H](C)N1CC[C@@]2(CCCN2Cc2ccc(O)cc2O)C1=O ZINC001272982111 1085777285 /nfs/dbraw/zinc/77/72/85/1085777285.db2.gz FJXFERDHTJMKLH-UGSOOPFHSA-N 0 3 318.417 2.463 20 10 DECDHN [NH3+]CC1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715766048 1085829663 /nfs/dbraw/zinc/82/96/63/1085829663.db2.gz MOMUNKLTOWPRCO-UHFFFAOYSA-N 0 3 317.202 2.465 20 10 DECDHN C[C@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1cc(F)ccc1[O-] ZINC000694605532 1086609492 /nfs/dbraw/zinc/60/94/92/1086609492.db2.gz YMJVQGHHDSAHKD-CMPLNLGQSA-N 0 3 301.383 2.149 20 10 DECDHN COc1ccc(CN[C@H](C)c2cnn(C)c2C)c(O)c1OC ZINC001119940760 1090576187 /nfs/dbraw/zinc/57/61/87/1090576187.db2.gz LTOIZNBRHHSUHO-SNVBAGLBSA-N 0 3 305.378 2.302 20 10 DECDHN CNC(=O)[C@H]1CC12CC[NH+](Cc1c(C)cc(OC)cc1[O-])CC2 ZINC001274660471 1091355900 /nfs/dbraw/zinc/35/59/00/1091355900.db2.gz MMCYAYFMTQNZBH-OAHLLOKOSA-N 0 3 318.417 2.057 20 10 DECDHN C[N@@H+]1CCC2(C1)CC[NH+](Cc1cc(C(=O)[O-])ccc1[O-])CC2 ZINC001276055697 1091496843 /nfs/dbraw/zinc/49/68/43/1091496843.db2.gz NLBDWLRCWNEOGK-UHFFFAOYSA-N 0 3 304.390 2.008 20 10 DECDHN C[N@H+]1CCC2(C1)CC[NH+](Cc1cc(C(=O)[O-])ccc1[O-])CC2 ZINC001276055697 1091496848 /nfs/dbraw/zinc/49/68/48/1091496848.db2.gz NLBDWLRCWNEOGK-UHFFFAOYSA-N 0 3 304.390 2.008 20 10 DECDHN C[N@@H+]1C[C@H]2C[C@@H](C1)N(Cc1c([O-])cccc1Br)C2 ZINC001275948291 1092365326 /nfs/dbraw/zinc/36/53/26/1092365326.db2.gz XKWKOFFUYIDDLW-MNOVXSKESA-N 0 3 311.223 2.291 20 10 DECDHN C[N@H+]1C[C@H]2C[C@@H](C1)N(Cc1c([O-])cccc1Br)C2 ZINC001275948291 1092365331 /nfs/dbraw/zinc/36/53/31/1092365331.db2.gz XKWKOFFUYIDDLW-MNOVXSKESA-N 0 3 311.223 2.291 20 10 DECDHN CCc1ccc(C[N@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)c([O-])c1 ZINC001236788147 1138428721 /nfs/dbraw/zinc/42/87/21/1138428721.db2.gz SEAAZZNTYUHJGM-CALCHBBNSA-N 0 3 324.428 2.313 20 10 DECDHN CCc1ccc(C[N@@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)c([O-])c1 ZINC001236788147 1138428726 /nfs/dbraw/zinc/42/87/26/1138428726.db2.gz SEAAZZNTYUHJGM-CALCHBBNSA-N 0 3 324.428 2.313 20 10 DECDHN O=C1NCC2(CC[NH+](Cc3cc4ccccc4cc3[O-])CC2)N1 ZINC001236838135 1138442436 /nfs/dbraw/zinc/44/24/36/1138442436.db2.gz VLEIAUTXTGJNRC-UHFFFAOYSA-N 0 3 311.385 2.193 20 10 DECDHN Cc1cc(CN2CCNC[C@H]2C(F)(F)F)ccc1N(C)C ZINC001236974826 1138472599 /nfs/dbraw/zinc/47/25/99/1138472599.db2.gz DONFJXPIZRYLEL-AWEZNQCLSA-N 0 3 301.356 2.397 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)O3)C2)c([O-])c1 ZINC001237047512 1138487248 /nfs/dbraw/zinc/48/72/48/1138487248.db2.gz ZJMJECDNEPZNPV-QGZVFWFLSA-N 0 3 305.374 2.463 20 10 DECDHN CCOc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)O3)C2)c([O-])c1 ZINC001237047512 1138487249 /nfs/dbraw/zinc/48/72/49/1138487249.db2.gz ZJMJECDNEPZNPV-QGZVFWFLSA-N 0 3 305.374 2.463 20 10 DECDHN CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(OCC)cc3[O-])C[C@@H]21 ZINC001237045679 1138487740 /nfs/dbraw/zinc/48/77/40/1138487740.db2.gz IGOXPYQEVYRWMX-FOLVSLTJSA-N 0 3 305.374 2.032 20 10 DECDHN CCOC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ccc(OCC)cc3[O-])C[C@@H]21 ZINC001237045679 1138487743 /nfs/dbraw/zinc/48/77/43/1138487743.db2.gz IGOXPYQEVYRWMX-FOLVSLTJSA-N 0 3 305.374 2.032 20 10 DECDHN C[C@@H]1CCCN(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001237202273 1138528737 /nfs/dbraw/zinc/52/87/37/1138528737.db2.gz DYSLDKNTWWEFPU-OAHLLOKOSA-N 0 3 322.474 2.153 20 10 DECDHN Cc1cc(F)cc(CN2CCC(NC(=O)N(C)C)CC2)c1O ZINC001238066118 1138819733 /nfs/dbraw/zinc/81/97/33/1138819733.db2.gz IDWCCYWELOJUAV-UHFFFAOYSA-N 0 3 309.385 2.075 20 10 DECDHN NC(=O)[C@@H]1CCC2(C1)CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001278254780 1138860528 /nfs/dbraw/zinc/86/05/28/1138860528.db2.gz HXIDLTRQFQASNL-GFCCVEGCSA-N 0 3 306.381 2.399 20 10 DECDHN COC[C@@](C)(CC(=O)OC)NCc1ccc(N2CCCC2)cc1 ZINC001320140232 1140828392 /nfs/dbraw/zinc/82/83/92/1140828392.db2.gz SVQRQYDYYOXZTO-GOSISDBHSA-N 0 3 320.433 2.345 20 10 DECDHN COc1cc(C)cc(CN(C)Cc2ccc(C(N)=O)cc2)c1O ZINC001322987354 1141791822 /nfs/dbraw/zinc/79/18/22/1141791822.db2.gz ZQVLWWKYUBGFIO-UHFFFAOYSA-N 0 3 314.385 2.440 20 10 DECDHN CCCOC1CC[NH+](Cc2ccc(CC(=O)OC)cc2[O-])CC1 ZINC001249201601 1141859116 /nfs/dbraw/zinc/85/91/16/1141859116.db2.gz ZSIHZLTXDPDOFX-UHFFFAOYSA-N 0 3 321.417 2.499 20 10 DECDHN Cc1cc(CN2C[C@@H](O)C[C@H]2C)c(O)cc1Br ZINC001250120486 1142084058 /nfs/dbraw/zinc/08/40/58/1142084058.db2.gz FTYMYHJFJRIMSL-KOLCDFICSA-N 0 3 300.196 2.418 20 10 DECDHN CC[N@H+](CCC(N)=O)Cc1cc(C)c(Br)cc1[O-] ZINC001250128305 1142085833 /nfs/dbraw/zinc/08/58/33/1142085833.db2.gz BXWFJYKFLLIJLL-UHFFFAOYSA-N 0 3 315.211 2.160 20 10 DECDHN CC[N@@H+](CCC(N)=O)Cc1cc(C)c(Br)cc1[O-] ZINC001250128305 1142085842 /nfs/dbraw/zinc/08/58/42/1142085842.db2.gz BXWFJYKFLLIJLL-UHFFFAOYSA-N 0 3 315.211 2.160 20 10 DECDHN [O-]c1cccc2c1C[N@H+](C[C@H](O)COCc1ccccc1)CC2 ZINC001252285110 1142673203 /nfs/dbraw/zinc/67/32/03/1142673203.db2.gz UROQXPZEJUOMOU-KRWDZBQOSA-N 0 3 313.397 2.328 20 10 DECDHN [O-]c1cccc2c1C[N@@H+](C[C@H](O)COCc1ccccc1)CC2 ZINC001252285110 1142673209 /nfs/dbraw/zinc/67/32/09/1142673209.db2.gz UROQXPZEJUOMOU-KRWDZBQOSA-N 0 3 313.397 2.328 20 10 DECDHN CCCCOC[C@H](O)CN1CCCc2cc(O)c(O)cc2C1 ZINC001252514099 1142743162 /nfs/dbraw/zinc/74/31/62/1142743162.db2.gz BIQUTQYAQRFJMZ-OAHLLOKOSA-N 0 3 309.406 2.024 20 10 DECDHN COc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC001252734278 1142812817 /nfs/dbraw/zinc/81/28/17/1142812817.db2.gz VMDKASZTHIPMNI-ZIAGYGMSSA-N 0 3 317.385 2.491 20 10 DECDHN C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC001339835049 1143124627 /nfs/dbraw/zinc/12/46/27/1143124627.db2.gz IXFVNHDVAGMGMO-ZIAGYGMSSA-N 0 3 309.385 2.203 20 10 DECDHN CSCC[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)C(=O)N(C)C ZINC000834803899 649849149 /nfs/dbraw/zinc/84/91/49/649849149.db2.gz ZXELNJLIDOMXHZ-STQMWFEESA-N 0 3 308.447 2.179 20 10 DECDHN Cc1ccc([O-])c(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)c1 ZINC000093454972 355682122 /nfs/dbraw/zinc/68/21/22/355682122.db2.gz FQXPVSDEKGRSIG-QGZVFWFLSA-N 0 3 315.417 2.380 20 10 DECDHN COc1ccc([O-])c(C[NH2+]C[C@H](O)Cc2cccc(F)c2)c1 ZINC000294686160 224167238 /nfs/dbraw/zinc/16/72/38/224167238.db2.gz BNWJIUFWWCCMOO-OAHLLOKOSA-N 0 3 305.349 2.233 20 10 DECDHN C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cc2c(cc1[O-])CCCC2 ZINC000273404496 130117823 /nfs/dbraw/zinc/11/78/23/130117823.db2.gz ODUYCVSGDVXNOE-OLZOCXBDSA-N 0 3 323.458 2.356 20 10 DECDHN CC(C)[C@@H]1CCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298162989 132048812 /nfs/dbraw/zinc/04/88/12/132048812.db2.gz PUDAKCOMBGCQIA-KRWDZBQOSA-N 0 3 303.450 2.489 20 10 DECDHN C[C@H](N(C)CC(=O)NCc1ccc(N(C)C)cc1)C1(C)CC1 ZINC000298732029 132075469 /nfs/dbraw/zinc/07/54/69/132075469.db2.gz VHMDDNONAJGDFM-AWEZNQCLSA-N 0 3 303.450 2.489 20 10 DECDHN CCOc1ccc([O-])c(C[NH+]2CCC(CC(=O)NC)CC2)c1 ZINC000093588505 402016520 /nfs/dbraw/zinc/01/65/20/402016520.db2.gz SYQXRHHUFWOYSD-UHFFFAOYSA-N 0 3 306.406 2.139 20 10 DECDHN CCOc1ccc(O)c(CN2CCC(CC(=O)NC)CC2)c1 ZINC000093588505 402016522 /nfs/dbraw/zinc/01/65/22/402016522.db2.gz SYQXRHHUFWOYSD-UHFFFAOYSA-N 0 3 306.406 2.139 20 10 DECDHN CCOc1ccc([O-])c(C[NH2+]CCCCCS(C)(=O)=O)c1 ZINC000185213409 402334689 /nfs/dbraw/zinc/33/46/89/402334689.db2.gz SPWSLQVVZXLASO-UHFFFAOYSA-N 0 3 315.435 2.095 20 10 DECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)CCN2CCN(C)CC2)c1 ZINC000186602184 402446730 /nfs/dbraw/zinc/44/67/30/402446730.db2.gz DPXUTICCAXXKJB-GJZGRUSLSA-N 0 3 321.465 2.077 20 10 DECDHN CC[N@H+](C)Cc1cccc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000187000360 402476933 /nfs/dbraw/zinc/47/69/33/402476933.db2.gz CUQDEKAHXZPFJZ-UHFFFAOYSA-N 0 3 314.385 2.480 20 10 DECDHN CC[N@@H+](C)Cc1cccc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000187000360 402476936 /nfs/dbraw/zinc/47/69/36/402476936.db2.gz CUQDEKAHXZPFJZ-UHFFFAOYSA-N 0 3 314.385 2.480 20 10 DECDHN C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2ccccc2[O-])C[C@@H](C)O1 ZINC000179563623 402594540 /nfs/dbraw/zinc/59/45/40/402594540.db2.gz FUXUZJBDJDRDCR-INMHGKMJSA-N 0 3 304.434 2.466 20 10 DECDHN C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2ccccc2[O-])C[C@@H](C)O1 ZINC000179563623 402594544 /nfs/dbraw/zinc/59/45/44/402594544.db2.gz FUXUZJBDJDRDCR-INMHGKMJSA-N 0 3 304.434 2.466 20 10 DECDHN Cc1nsc(N2CCC[N@H+](Cc3ccccc3[O-])CC2)n1 ZINC000179581225 402595442 /nfs/dbraw/zinc/59/54/42/402595442.db2.gz FCHQOYQGZOQKND-UHFFFAOYSA-N 0 3 304.419 2.264 20 10 DECDHN Cc1nsc(N2CCC[N@@H+](Cc3ccccc3[O-])CC2)n1 ZINC000179581225 402595443 /nfs/dbraw/zinc/59/54/43/402595443.db2.gz FCHQOYQGZOQKND-UHFFFAOYSA-N 0 3 304.419 2.264 20 10 DECDHN COc1ccc(O)c(CN2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000180484250 402618034 /nfs/dbraw/zinc/61/80/34/402618034.db2.gz WYERDWIEAJWANG-MRXNPFEDSA-N 0 3 300.358 2.449 20 10 DECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000180484250 402618037 /nfs/dbraw/zinc/61/80/37/402618037.db2.gz WYERDWIEAJWANG-MRXNPFEDSA-N 0 3 300.358 2.449 20 10 DECDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000180484250 402618040 /nfs/dbraw/zinc/61/80/40/402618040.db2.gz WYERDWIEAJWANG-MRXNPFEDSA-N 0 3 300.358 2.449 20 10 DECDHN COc1cccc(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1[O-] ZINC000183247757 402750560 /nfs/dbraw/zinc/75/05/60/402750560.db2.gz UXUYGYDBSIJHSZ-CQSZACIVSA-N 0 3 307.390 2.376 20 10 DECDHN COc1cccc(C[N@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1[O-] ZINC000183247757 402750563 /nfs/dbraw/zinc/75/05/63/402750563.db2.gz UXUYGYDBSIJHSZ-CQSZACIVSA-N 0 3 307.390 2.376 20 10 DECDHN CN(C)c1ccc(CNC(=O)C2CCN(C3CC3)CC2)cc1 ZINC000195311914 402841723 /nfs/dbraw/zinc/84/17/23/402841723.db2.gz SKBSMRVHNQEQLF-UHFFFAOYSA-N 0 3 301.434 2.243 20 10 DECDHN COc1c([O-])c(CN(C)CC2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000278110179 402856316 /nfs/dbraw/zinc/85/63/16/402856316.db2.gz ABABPBJXWJHEGV-UHFFFAOYSA-N 0 3 323.393 2.225 20 10 DECDHN CC[C@H]([NH2+][C@H](C)CN1CCN(C)CC1)c1ccc(C)cc1[O-] ZINC000280149177 402969156 /nfs/dbraw/zinc/96/91/56/402969156.db2.gz QBVZYIXJZNEXEV-WBVHZDCISA-N 0 3 305.466 2.377 20 10 DECDHN COc1cccc(CN2C[C@@H](C)OC3(CCOCC3)C2)c1O ZINC000280386764 402994958 /nfs/dbraw/zinc/99/49/58/402994958.db2.gz FWANBEYTOVIGPC-CYBMUJFWSA-N 0 3 307.390 2.171 20 10 DECDHN COc1ccc(O)c(CN2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1 ZINC000280619464 403019609 /nfs/dbraw/zinc/01/96/09/403019609.db2.gz ZPGIVZFHGKTBGP-GDZNZVCISA-N 0 3 307.390 2.169 20 10 DECDHN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CCCCN1C1CC1 ZINC000277482183 403222186 /nfs/dbraw/zinc/22/21/86/403222186.db2.gz IVSJZUFSAMCZDS-FUVBFXSKSA-N 0 3 316.401 2.244 20 10 DECDHN CCN(C)C(=O)[C@@H](NCc1cc(OC)c(OC)cc1O)C(C)C ZINC000295024001 403740042 /nfs/dbraw/zinc/74/00/42/403740042.db2.gz KXWFEBSKAPDKJN-INIZCTEOSA-N 0 3 324.421 2.002 20 10 DECDHN CCN(C)C(=O)[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1[O-])C(C)C ZINC000295024001 403740045 /nfs/dbraw/zinc/74/00/45/403740045.db2.gz KXWFEBSKAPDKJN-INIZCTEOSA-N 0 3 324.421 2.002 20 10 DECDHN [O-]c1cccc2c1[C@H]([NH2+][C@H](CO)C[C@@H](O)c1ccccc1)CC2 ZINC000296862097 404347215 /nfs/dbraw/zinc/34/72/15/404347215.db2.gz NPNRKHBEIBZPCC-LZLYRXPVSA-N 0 3 313.397 2.454 20 10 DECDHN Cc1cnn([C@H]2CCN(Cc3cc4c(cc3O)OCO4)C2)c1 ZINC000290887055 404350896 /nfs/dbraw/zinc/35/08/96/404350896.db2.gz LDENERINFGLDNK-ZDUSSCGKSA-N 0 3 301.346 2.073 20 10 DECDHN COc1cc([O-])c(C[NH2+]CCc2cccnc2OC)cc1OC ZINC000290779507 404308808 /nfs/dbraw/zinc/30/88/08/404308808.db2.gz CUILGFIAVBZOPA-UHFFFAOYSA-N 0 3 318.373 2.145 20 10 DECDHN C[C@H]1CN(CCC[NH2+][C@@H]2CCc3cccc([O-])c32)CCCO1 ZINC000296618181 404311636 /nfs/dbraw/zinc/31/16/36/404311636.db2.gz YYXYNCJQLYLCGY-GOEBONIOSA-N 0 3 304.434 2.470 20 10 DECDHN Cn1nccc1[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000367472929 405061485 /nfs/dbraw/zinc/06/14/85/405061485.db2.gz YYYIBIMDOOFSFX-LBPRGKRZSA-N 0 3 315.373 2.234 20 10 DECDHN Cn1nccc1[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000367472929 405061488 /nfs/dbraw/zinc/06/14/88/405061488.db2.gz YYYIBIMDOOFSFX-LBPRGKRZSA-N 0 3 315.373 2.234 20 10 DECDHN CN1CCN(C(=O)c2cccc3c2CCNC3)c2ccccc2C1 ZINC000662719240 425721284 /nfs/dbraw/zinc/72/12/84/425721284.db2.gz DBRIUSQNBCIOBA-UHFFFAOYSA-N 0 3 321.424 2.425 20 10 DECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000364445823 274114803 /nfs/dbraw/zinc/11/48/03/274114803.db2.gz CBIKLKBQWDYZKP-IBGZPJMESA-N 0 3 324.380 2.497 20 10 DECDHN COc1ccc([O-])c(C[N@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000364445823 274114804 /nfs/dbraw/zinc/11/48/04/274114804.db2.gz CBIKLKBQWDYZKP-IBGZPJMESA-N 0 3 324.380 2.497 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]CCC(=O)NC(C)C)c1[O-] ZINC000228670860 533952665 /nfs/dbraw/zinc/95/26/65/533952665.db2.gz RLOHLBLYPOQXCT-UHFFFAOYSA-N 0 3 300.786 2.059 20 10 DECDHN CC(C)C(=O)NCCN(C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835030236 649869094 /nfs/dbraw/zinc/86/90/94/649869094.db2.gz VWPSRSABPHCLOS-SREVYHEPSA-N 0 3 303.450 2.470 20 10 DECDHN CCO[C@H]1C[C@](CO)([NH2+]Cc2cc(OC)ccc2[O-])C1(C)C ZINC000188900402 520587297 /nfs/dbraw/zinc/58/72/97/520587297.db2.gz GJPIPJBRGUDMFK-DOTOQJQBSA-N 0 3 309.406 2.057 20 10 DECDHN CCCN(CC(=O)NCc1ccc(N(C)C)cc1)CC1CC1 ZINC000267937555 521548823 /nfs/dbraw/zinc/54/88/23/521548823.db2.gz ARSSLHOLCQYYIH-UHFFFAOYSA-N 0 3 303.450 2.491 20 10 DECDHN CN(C)c1ccc(CN[C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000265879564 522212524 /nfs/dbraw/zinc/21/25/24/522212524.db2.gz OEHDBGXDVINKJZ-ZBFHGGJFSA-N 0 3 310.463 2.198 20 10 DECDHN C[C@H](C(=O)NCCc1ccc(O)c(O)c1)N1CCCCCC1 ZINC000156603847 526056196 /nfs/dbraw/zinc/05/61/96/526056196.db2.gz CGCNCZWJDCNTKY-CYBMUJFWSA-N 0 3 306.406 2.021 20 10 DECDHN Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c([O-])c1O ZINC000182596378 526181194 /nfs/dbraw/zinc/18/11/94/526181194.db2.gz XZDGOTHBUZPAPY-CYBMUJFWSA-N 0 3 306.406 2.114 20 10 DECDHN Cc1ccc(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c([O-])c1O ZINC000182596378 526181202 /nfs/dbraw/zinc/18/12/02/526181202.db2.gz XZDGOTHBUZPAPY-CYBMUJFWSA-N 0 3 306.406 2.114 20 10 DECDHN COC(=O)C[C@]1(NC/C=C\c2ccc(N(C)C)cc2)CCOC1 ZINC000835046606 649871148 /nfs/dbraw/zinc/87/11/48/649871148.db2.gz LGQBHARIWGGXRZ-PYTPGESOSA-N 0 3 318.417 2.078 20 10 DECDHN CCCNC(=O)[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000123647777 625585338 /nfs/dbraw/zinc/58/53/38/625585338.db2.gz RWGLRUAQDZOSJU-GJZGRUSLSA-N 0 3 319.449 2.089 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCSC2)N(C)C)cc1 ZINC000891250505 623795333 /nfs/dbraw/zinc/79/53/33/623795333.db2.gz APGYUMDZBABRQE-GOEBONIOSA-N 0 3 321.490 2.225 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)[C@@]2(C)CCCO2)N(C)C)cc1 ZINC000891253489 623799511 /nfs/dbraw/zinc/79/95/11/623799511.db2.gz SRLTYINMCZZXII-FUHWJXTLSA-N 0 3 319.449 2.041 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)[C@]2(C)CCCO2)N(C)C)cc1 ZINC000891253492 623799680 /nfs/dbraw/zinc/79/96/80/623799680.db2.gz SRLTYINMCZZXII-WMZOPIPTSA-N 0 3 319.449 2.041 20 10 DECDHN COc1cccc(CN2CCN(c3ccc(O)cc3)CC2)c1O ZINC000157915189 624204264 /nfs/dbraw/zinc/20/42/64/624204264.db2.gz GVQYYBHMBDPYGT-UHFFFAOYSA-N 0 3 314.385 2.429 20 10 DECDHN CCCN(C)CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000735520344 633516784 /nfs/dbraw/zinc/51/67/84/633516784.db2.gz YLMRGIDYZZUWQR-INIZCTEOSA-N 0 3 320.433 2.242 20 10 DECDHN O=C1C[C@@H](NCc2ccc3c(c2)CCCO3)CN1CC1CC1 ZINC000922338642 636105512 /nfs/dbraw/zinc/10/55/12/636105512.db2.gz LTUFLGJOXOFXEO-MRXNPFEDSA-N 0 3 300.402 2.112 20 10 DECDHN CCOc1ccc(C[NH2+]C[C@]2(OC(C)C)CCOC2)c([O-])c1 ZINC000922612106 636281511 /nfs/dbraw/zinc/28/15/11/636281511.db2.gz VTVBVKUSNUMIPO-QGZVFWFLSA-N 0 3 309.406 2.465 20 10 DECDHN Cc1cc(N(C)C)ccc1CN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000840914188 650379513 /nfs/dbraw/zinc/37/95/13/650379513.db2.gz RBACWRPWZXIHNI-RBUKOAKNSA-N 0 3 317.477 2.092 20 10 DECDHN Cc1cc(N(C)C)ccc1CN[C@H](C)C(=O)NCc1ccco1 ZINC000840935768 650388831 /nfs/dbraw/zinc/38/88/31/650388831.db2.gz CTTLFPYWLISKCW-CQSZACIVSA-N 0 3 315.417 2.449 20 10 DECDHN COc1cccc(CN2CC[C@](CO)(C(F)(F)F)C2)c1O ZINC000895845813 638220526 /nfs/dbraw/zinc/22/05/26/638220526.db2.gz PBCZTKDNKLZWMK-ZDUSSCGKSA-N 0 3 305.296 2.148 20 10 DECDHN C/C=C\CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000896018499 638312877 /nfs/dbraw/zinc/31/28/77/638312877.db2.gz OOFSPBAFIGNRRD-WLMCBFPDSA-N 0 3 304.438 2.231 20 10 DECDHN CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CC(=O)OC)C2)c([O-])c1 ZINC000896472278 638532198 /nfs/dbraw/zinc/53/21/98/638532198.db2.gz MFTOCDIGNXPKAQ-TZMCWYRMSA-N 0 3 307.390 2.422 20 10 DECDHN CCOc1ccc(C[N@H+]2C[C@@H](C)[C@H](CC(=O)OC)C2)c([O-])c1 ZINC000896472278 638532202 /nfs/dbraw/zinc/53/22/02/638532202.db2.gz MFTOCDIGNXPKAQ-TZMCWYRMSA-N 0 3 307.390 2.422 20 10 DECDHN C[C@@H]1C[C@@H]([NH2+]CCCN2CCOCC2)c2c1c(F)ccc2[O-] ZINC000756342751 639652012 /nfs/dbraw/zinc/65/20/12/639652012.db2.gz LAQGKNXLYRRXMX-TZMCWYRMSA-N 0 3 308.397 2.392 20 10 DECDHN CCNC(=O)N1CC[C@H]([NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)C1 ZINC000756761939 639693011 /nfs/dbraw/zinc/69/30/11/639693011.db2.gz VJYDLHHCCKERIW-GVXVVHGQSA-N 0 3 321.396 2.473 20 10 DECDHN C[C@@H]1C[C@@H]([NH2+][C@H](CO)C2CCOCC2)c2c1c(F)ccc2[O-] ZINC000757658667 639866130 /nfs/dbraw/zinc/86/61/30/639866130.db2.gz JARLNNYPXDRLBA-LERXQTSPSA-N 0 3 309.381 2.457 20 10 DECDHN COC(=O)c1cc2n(n1)CCC[C@@H]2NCc1cc(C)ccc1O ZINC000897985842 640995851 /nfs/dbraw/zinc/99/58/51/640995851.db2.gz SAISWDRAJCGTIC-ZDUSSCGKSA-N 0 3 315.373 2.308 20 10 DECDHN Cc1c[nH]c(CNC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000898447394 641665098 /nfs/dbraw/zinc/66/50/98/641665098.db2.gz JBTIPQGOOBXPAD-MRXNPFEDSA-N 0 3 301.438 2.177 20 10 DECDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccnn1C ZINC000774135569 641867850 /nfs/dbraw/zinc/86/78/50/641867850.db2.gz RSRRMSCHLFITNJ-CQSZACIVSA-N 0 3 300.406 2.108 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)NC/C=C\Cl)N(C)C)cc1 ZINC000899029264 641904149 /nfs/dbraw/zinc/90/41/49/641904149.db2.gz JBPVZXARSUYFAT-ANOSYLROSA-N 0 3 324.856 2.407 20 10 DECDHN Fc1cc(CN2CCC23CCOCC3)ccc1N1CCOCC1 ZINC000775159559 642012088 /nfs/dbraw/zinc/01/20/88/642012088.db2.gz RJEXRBSRJULUJX-UHFFFAOYSA-N 0 3 320.408 2.417 20 10 DECDHN C[C@H](O)CN(C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000776520623 642180372 /nfs/dbraw/zinc/18/03/72/642180372.db2.gz CVKMMYPTGCBQQD-ZDUSSCGKSA-N 0 3 307.394 2.398 20 10 DECDHN Cc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c([O-])c1O ZINC000780887531 642684347 /nfs/dbraw/zinc/68/43/47/642684347.db2.gz QNNQQKDIABIZDI-STQMWFEESA-N 0 3 306.406 2.399 20 10 DECDHN Cc1ccc(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)c([O-])c1O ZINC000780887531 642684349 /nfs/dbraw/zinc/68/43/49/642684349.db2.gz QNNQQKDIABIZDI-STQMWFEESA-N 0 3 306.406 2.399 20 10 DECDHN Cc1ccc(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c([O-])c1O ZINC000780933388 642691897 /nfs/dbraw/zinc/69/18/97/642691897.db2.gz WUZVFQSTMCCQEZ-CHWSQXEVSA-N 0 3 306.406 2.399 20 10 DECDHN C[C@]12CSC[C@H]1C[N@H+](Cc1cc3c(cc1[O-])OC[C@@H]3O)C2 ZINC000902675173 643104985 /nfs/dbraw/zinc/10/49/85/643104985.db2.gz PWRORWQJVIPKGJ-WPGHFRTFSA-N 0 3 307.415 2.003 20 10 DECDHN C[C@]12CSC[C@H]1C[N@@H+](Cc1cc3c(cc1[O-])OC[C@@H]3O)C2 ZINC000902675173 643104990 /nfs/dbraw/zinc/10/49/90/643104990.db2.gz PWRORWQJVIPKGJ-WPGHFRTFSA-N 0 3 307.415 2.003 20 10 DECDHN C[C@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1nccn1C ZINC000903448609 643354691 /nfs/dbraw/zinc/35/46/91/643354691.db2.gz QRYZUOAXLKNNHC-WMLDXEAASA-N 0 3 315.465 2.440 20 10 DECDHN Cc1nonc1[C@@H](C)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903448601 643354861 /nfs/dbraw/zinc/35/48/61/643354861.db2.gz QRSLQZSPQZTYCP-MLGOLLRUSA-N 0 3 317.437 2.398 20 10 DECDHN COc1cc(O)c(CN2CC[C@H](c3noc(C)n3)C2)cc1OC ZINC000905683942 644005441 /nfs/dbraw/zinc/00/54/41/644005441.db2.gz XLLJGCNAHDUJGJ-NSHDSACASA-N 0 3 319.361 2.090 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCOC[C@H](C3CCC3)C1)[C@@H](O)CO2 ZINC000793740929 644294721 /nfs/dbraw/zinc/29/47/21/644294721.db2.gz GYZIYHVQCBKOOU-PBHICJAKSA-N 0 3 319.401 2.067 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCOC[C@H](C3CCC3)C1)[C@@H](O)CO2 ZINC000793740929 644294728 /nfs/dbraw/zinc/29/47/28/644294728.db2.gz GYZIYHVQCBKOOU-PBHICJAKSA-N 0 3 319.401 2.067 20 10 DECDHN C[C@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1cc(F)ccc1[O-] ZINC000797071369 644834008 /nfs/dbraw/zinc/83/40/08/644834008.db2.gz RWKPXWRTJGPOKN-UWVGGRQHSA-N 0 3 301.383 2.148 20 10 DECDHN C[NH+]1CCC2(CC1)CN(Cc1cc(Cl)ccc1[O-])CCO2 ZINC000843431851 650973578 /nfs/dbraw/zinc/97/35/78/650973578.db2.gz KMYAUQQOJGETID-UHFFFAOYSA-N 0 3 310.825 2.342 20 10 DECDHN CSCC[C@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])C(=O)N(C)C ZINC000806663191 645859547 /nfs/dbraw/zinc/85/95/47/645859547.db2.gz TZJZZCBCBDQWQP-MFKMUULPSA-N 0 3 314.426 2.392 20 10 DECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)C(=O)NCCF)c1[O-] ZINC000808717620 646131384 /nfs/dbraw/zinc/13/13/84/646131384.db2.gz KCAZPDDSOUASQT-NXEZZACHSA-N 0 3 302.777 2.479 20 10 DECDHN CC(C)C[C@H](N)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000165424674 646497539 /nfs/dbraw/zinc/49/75/39/646497539.db2.gz HMQSRLWCSCDTLQ-INIZCTEOSA-N 0 3 321.490 2.229 20 10 DECDHN CCC[C@H](C)C(=O)NCC[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000814301044 646871032 /nfs/dbraw/zinc/87/10/32/646871032.db2.gz PGQGAOZBHVGAFB-ZDUSSCGKSA-N 0 3 308.422 2.433 20 10 DECDHN CCOCC(C)(C)NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000815136584 646978087 /nfs/dbraw/zinc/97/80/87/646978087.db2.gz HVJWWSYJGYCDOJ-UHFFFAOYSA-N 0 3 321.465 2.116 20 10 DECDHN C[C@H]1C[C@@H]([NH2+]CCCCS(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000818348912 647457344 /nfs/dbraw/zinc/45/73/44/647457344.db2.gz BCBWATKSDCVXGK-CMPLNLGQSA-N 0 3 315.410 2.494 20 10 DECDHN CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC000916874024 647936228 /nfs/dbraw/zinc/93/62/28/647936228.db2.gz MQCUOGWKXVLGJQ-ZDUSSCGKSA-N 0 3 323.412 2.451 20 10 DECDHN CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC000916874024 647936229 /nfs/dbraw/zinc/93/62/29/647936229.db2.gz MQCUOGWKXVLGJQ-ZDUSSCGKSA-N 0 3 323.412 2.451 20 10 DECDHN C[N@H+](CCNC(=O)NCc1c([O-])cccc1F)C1CCCC1 ZINC000916979330 647951751 /nfs/dbraw/zinc/95/17/51/647951751.db2.gz LIRLBHGQRNSXFL-UHFFFAOYSA-N 0 3 309.385 2.205 20 10 DECDHN C[N@@H+](CCNC(=O)NCc1c([O-])cccc1F)C1CCCC1 ZINC000916979330 647951755 /nfs/dbraw/zinc/95/17/55/647951755.db2.gz LIRLBHGQRNSXFL-UHFFFAOYSA-N 0 3 309.385 2.205 20 10 DECDHN O=S1(=O)C[C@H](C[NH2+]Cc2cc(F)ccc2[O-])c2ccccc21 ZINC000824514701 648600227 /nfs/dbraw/zinc/60/02/27/648600227.db2.gz BODYQGMVSZEHBK-LBPRGKRZSA-N 0 3 321.373 2.192 20 10 DECDHN CCOc1ccc(CN2CCC[C@@H](OC(=O)N(C)C)C2)c(O)c1 ZINC000824615885 648623962 /nfs/dbraw/zinc/62/39/62/648623962.db2.gz NYTKKWXBOQOVKK-OAHLLOKOSA-N 0 3 322.405 2.454 20 10 DECDHN CCOc1ccc(CN2CCC[C@@H](NC(=O)N(C)C)C2)c(O)c1 ZINC000825278319 648734998 /nfs/dbraw/zinc/73/49/98/648734998.db2.gz BMVJTMYYTGOCSG-CQSZACIVSA-N 0 3 321.421 2.027 20 10 DECDHN Cc1cc(N(C)C)ccc1CN[C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000827164755 648984372 /nfs/dbraw/zinc/98/43/72/648984372.db2.gz MMIMEBHTVSBTHD-HIFRSBDPSA-N 0 3 310.463 2.116 20 10 DECDHN Cc1cc(O)c(CN2CCN(c3nccn3C)CC2)cc1C ZINC000827891317 649100166 /nfs/dbraw/zinc/10/01/66/649100166.db2.gz HNSNBLQBYDXWET-UHFFFAOYSA-N 0 3 300.406 2.065 20 10 DECDHN [O-]c1cc2c(cc1C[NH2+][C@@H](C1CC1)C1CCOCC1)OCO2 ZINC000846043390 651303959 /nfs/dbraw/zinc/30/39/59/651303959.db2.gz YYJRQAADTWACSY-KRWDZBQOSA-N 0 3 305.374 2.416 20 10 DECDHN Cc1cc(Cl)cc(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c1[O-] ZINC000846071081 651306431 /nfs/dbraw/zinc/30/64/31/651306431.db2.gz BSKUSKYLCCDCJR-LLVKDONJSA-N 0 3 308.809 2.455 20 10 DECDHN Cc1cc(Br)cc(C[NH2+][C@H](CO)CCF)c1[O-] ZINC000846099649 651307644 /nfs/dbraw/zinc/30/76/44/651307644.db2.gz HNRRFRCZZIYUIF-NSHDSACASA-N 0 3 306.175 2.273 20 10 DECDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC000848226681 651445270 /nfs/dbraw/zinc/44/52/70/651445270.db2.gz URTVIWWLCWPDFQ-GOEBONIOSA-N 0 3 317.477 2.450 20 10 DECDHN Cc1cc(N(C)C)ccc1CNCc1n[nH]c([C@H]2CCCO2)n1 ZINC000848923628 651563230 /nfs/dbraw/zinc/56/32/30/651563230.db2.gz HMLHIIUMODNGHT-OAHLLOKOSA-N 0 3 315.421 2.320 20 10 DECDHN CCc1ncc(CN[C@H]2CCN(c3ccc(OC)cc3)C2)cn1 ZINC000850346106 651905047 /nfs/dbraw/zinc/90/50/47/651905047.db2.gz CLNZGDSIFOZDIH-HNNXBMFYSA-N 0 3 312.417 2.416 20 10 DECDHN c1cc2n(n1)CCC[C@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000850427330 651926682 /nfs/dbraw/zinc/92/66/82/651926682.db2.gz RVNWNPDCWLFWMJ-QGZVFWFLSA-N 0 3 312.417 2.344 20 10 DECDHN Nc1ccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)cc1 ZINC000851633628 652193487 /nfs/dbraw/zinc/19/34/87/652193487.db2.gz OXZVURAIVBXHFZ-NWDGAFQWSA-N 0 3 318.295 2.191 20 10 DECDHN Nc1ccc(CC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)cc1 ZINC000851646581 652197563 /nfs/dbraw/zinc/19/75/63/652197563.db2.gz YDOPHWKPKAUFBR-KRWDZBQOSA-N 0 3 311.385 2.111 20 10 DECDHN CN(Cc1ccc(N2CCOCC2)cc1)C[C@H]1COC(C)(C)O1 ZINC000851717556 652214546 /nfs/dbraw/zinc/21/45/46/652214546.db2.gz XQCMSTWBNUZYCH-KRWDZBQOSA-N 0 3 320.433 2.107 20 10 DECDHN COc1ccc(N(C)CCN(C)C[C@H]2COC(C)(C)O2)cc1 ZINC000852212176 652364699 /nfs/dbraw/zinc/36/46/99/652364699.db2.gz VXBKBZLHWLXSNU-INIZCTEOSA-N 0 3 308.422 2.215 20 10 DECDHN CCN(CC)c1ccc(CNC(C)(C)CS(C)(=O)=O)cc1 ZINC000391399773 685445775 /nfs/dbraw/zinc/44/57/75/685445775.db2.gz PUOBPMHIPHEFHP-UHFFFAOYSA-N 0 3 312.479 2.446 20 10 DECDHN COc1cccc(CN[C@@H]2CCN(C3CCCCC3)C2=O)c1O ZINC000131666271 684201083 /nfs/dbraw/zinc/20/10/83/684201083.db2.gz WIYBRPSURUBAIZ-OAHLLOKOSA-N 0 3 318.417 2.424 20 10 DECDHN C[C@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C ZINC000245851415 685119299 /nfs/dbraw/zinc/11/92/99/685119299.db2.gz CWGCXEJXQUEGHD-LSDHHAIUSA-N 0 3 303.450 2.347 20 10 DECDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COC[C@H]1CCCO1 ZINC000247706213 685153121 /nfs/dbraw/zinc/15/31/21/685153121.db2.gz YXGUTPWVJSWCEU-IAGOWNOFSA-N 0 3 323.433 2.161 20 10 DECDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)COC[C@H]1CCCO1 ZINC000247706213 685153127 /nfs/dbraw/zinc/15/31/27/685153127.db2.gz YXGUTPWVJSWCEU-IAGOWNOFSA-N 0 3 323.433 2.161 20 10 DECDHN COC(=O)CCCCN1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000859161539 685669594 /nfs/dbraw/zinc/66/95/94/685669594.db2.gz OUPWDLZQFHLXFT-UHFFFAOYSA-N 0 3 324.396 2.300 20 10 DECDHN COC(=O)c1cncc(CN[C@H](C)c2cc(OC)ccc2O)c1 ZINC000930217303 694114119 /nfs/dbraw/zinc/11/41/19/694114119.db2.gz VSEUWYHXIVJMQZ-LLVKDONJSA-N 0 3 316.357 2.433 20 10 DECDHN COC(=O)c1[nH]c(CNCc2ccc(N(C)C)cc2)cc1C ZINC000876905613 689969481 /nfs/dbraw/zinc/96/94/81/689969481.db2.gz JVZPJIMVDANBMW-UHFFFAOYSA-N 0 3 301.390 2.466 20 10 DECDHN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(C)cc1[O-] ZINC000877423673 690108212 /nfs/dbraw/zinc/10/82/12/690108212.db2.gz IZGZPBMSUSBYII-LSDHHAIUSA-N 0 3 307.390 2.243 20 10 DECDHN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(C)cc1[O-] ZINC000877423673 690108214 /nfs/dbraw/zinc/10/82/14/690108214.db2.gz IZGZPBMSUSBYII-LSDHHAIUSA-N 0 3 307.390 2.243 20 10 DECDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000877505815 690133946 /nfs/dbraw/zinc/13/39/46/690133946.db2.gz ZOLDGGWBVGWIHY-YOEHRIQHSA-N 0 3 305.418 2.358 20 10 DECDHN Cc1ccc(C[NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)c([O-])c1 ZINC000877569966 690155227 /nfs/dbraw/zinc/15/52/27/690155227.db2.gz BPYQDXLVAAJTTI-WMLDXEAASA-N 0 3 301.390 2.444 20 10 DECDHN CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000877607495 690165886 /nfs/dbraw/zinc/16/58/86/690165886.db2.gz GPYMNANJXMZWPP-CQSZACIVSA-N 0 3 316.323 2.201 20 10 DECDHN CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000877607495 690165888 /nfs/dbraw/zinc/16/58/88/690165888.db2.gz GPYMNANJXMZWPP-CQSZACIVSA-N 0 3 316.323 2.201 20 10 DECDHN Cc1cccc([O-])c1C[NH+]1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000877616610 690168245 /nfs/dbraw/zinc/16/82/45/690168245.db2.gz KWGMAJYIPUIZTN-MRXNPFEDSA-N 0 3 302.418 2.437 20 10 DECDHN COc1ccc(N2CCN(CCC[C@@H]3CCO3)CC2)c(OC)c1 ZINC000877708434 690199501 /nfs/dbraw/zinc/19/95/01/690199501.db2.gz LUWLUMGKSDSTCG-OAHLLOKOSA-N 0 3 320.433 2.395 20 10 DECDHN CCCOc1ccc(CN[C@H]2C[C@H](S(C)(=O)=O)C2)cc1C ZINC000883380376 691494189 /nfs/dbraw/zinc/49/41/89/691494189.db2.gz KOKFJPRBIWMSQI-SHTZXODSSA-N 0 3 311.447 2.449 20 10 DECDHN C[C@H]([NH2+][C@@H]1CNCC2(CCOCC2)C1)c1ccc(F)cc1[O-] ZINC000925793061 693342466 /nfs/dbraw/zinc/34/24/66/693342466.db2.gz QLUJRJQJWASHKI-JSGCOSHPSA-N 0 3 308.397 2.341 20 10 DECDHN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CCCCN1C ZINC001346958818 1151034348 /nfs/dbraw/zinc/03/43/48/1151034348.db2.gz XIRDTAXLSCGHAC-KRWDZBQOSA-N 0 3 318.465 2.345 20 10 DECDHN C[NH+](C)CCc1ccc(NC(=O)c2cc(O)c([O-])c(O)c2)cc1 ZINC001148585909 791777855 /nfs/dbraw/zinc/77/78/55/791777855.db2.gz DMBYCOQZDKWAFD-UHFFFAOYSA-N 0 3 316.357 2.160 20 10 DECDHN CC(C)C(=O)N1CCC[C@@]12CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204275007 795325911 /nfs/dbraw/zinc/32/59/11/795325911.db2.gz LDTGBFKHXAFGIH-SFHVURJKSA-N 0 3 318.417 2.321 20 10 DECDHN CC(C)C(=O)N1CCC[C@@]12CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204275007 795325921 /nfs/dbraw/zinc/32/59/21/795325921.db2.gz LDTGBFKHXAFGIH-SFHVURJKSA-N 0 3 318.417 2.321 20 10 DECDHN COCCO[C@H]1CCC[N@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001181164798 795439087 /nfs/dbraw/zinc/43/90/87/795439087.db2.gz ZMBCYVOHQLVMCZ-AWEZNQCLSA-N 0 3 309.406 2.337 20 10 DECDHN COCCO[C@H]1CCC[N@@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001181164798 795439093 /nfs/dbraw/zinc/43/90/93/795439093.db2.gz ZMBCYVOHQLVMCZ-AWEZNQCLSA-N 0 3 309.406 2.337 20 10 DECDHN COc1cc(CN2CC[C@H](c3ccccn3)C2)cc(O)c1O ZINC001204345393 795704823 /nfs/dbraw/zinc/70/48/23/795704823.db2.gz QHQJSTDAOLPTKQ-ZDUSSCGKSA-N 0 3 300.358 2.491 20 10 DECDHN CC(=O)NC1CCN(Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138354255 796204644 /nfs/dbraw/zinc/20/46/44/796204644.db2.gz CFHDHUDABRKYDB-UHFFFAOYSA-N 0 3 301.434 2.170 20 10 DECDHN C[C@]1(O)CCCN(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140661569 796552255 /nfs/dbraw/zinc/55/22/55/796552255.db2.gz JSHCEPQSDVBTFK-KRWDZBQOSA-N 0 3 308.397 2.009 20 10 DECDHN CC(C)N(CCCO)Cc1ccc(N2CCOCC2)cc1F ZINC001140661751 796552687 /nfs/dbraw/zinc/55/26/87/796552687.db2.gz QYECXCIRGFXTNQ-UHFFFAOYSA-N 0 3 310.413 2.255 20 10 DECDHN Cc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)N(C)C)CC2)c([O-])c1 ZINC001140949920 796606816 /nfs/dbraw/zinc/60/68/16/796606816.db2.gz KMFFZLBGNKZAJW-OAHLLOKOSA-N 0 3 302.418 2.391 20 10 DECDHN COC(=O)C[C@H]1CCCN(Cc2c(O)cc(OC)cc2OC)C1 ZINC001141029007 796620236 /nfs/dbraw/zinc/62/02/36/796620236.db2.gz HEGXDVNLFZVEBI-GFCCVEGCSA-N 0 3 323.389 2.185 20 10 DECDHN Oc1ccc(O)c(CN2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)c1 ZINC001141155933 796641317 /nfs/dbraw/zinc/64/13/17/796641317.db2.gz AZOHPEAWDMCTHX-OLZOCXBDSA-N 0 3 323.286 2.325 20 10 DECDHN CC(C)(C)OC(=O)N[C@H]1[C@H]2CN(Cc3cc(O)ccc3O)C[C@H]21 ZINC001141157019 796641813 /nfs/dbraw/zinc/64/18/13/796641813.db2.gz APURVIABWHRSIM-AGGWBTHJSA-N 0 3 320.389 2.053 20 10 DECDHN CCN(CC)c1ccc(CN2CCN(CCCO)CC2)cc1 ZINC001203940202 800149319 /nfs/dbraw/zinc/14/93/19/800149319.db2.gz IXNKHNOOUHGBDU-UHFFFAOYSA-N 0 3 305.466 2.033 20 10 DECDHN Oc1ccc(CN2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)c(O)c1 ZINC001204276299 800199201 /nfs/dbraw/zinc/19/92/01/800199201.db2.gz JTESVTIPKNDOJO-QWHCGFSZSA-N 0 3 323.286 2.325 20 10 DECDHN COc1cc(C)c(C[NH2+]C[C@H](CO)CC2CCOCC2)c([O-])c1 ZINC001205560957 800376645 /nfs/dbraw/zinc/37/66/45/800376645.db2.gz GKZJPWZZFGKTDV-OAHLLOKOSA-N 0 3 323.433 2.224 20 10 DECDHN CNC(=O)N[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001231589155 801690922 /nfs/dbraw/zinc/69/09/22/801690922.db2.gz CYAXUEUJDDQRQU-AWEZNQCLSA-N 0 3 313.401 2.439 20 10 DECDHN CNC(=O)N[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001231589155 801690925 /nfs/dbraw/zinc/69/09/25/801690925.db2.gz CYAXUEUJDDQRQU-AWEZNQCLSA-N 0 3 313.401 2.439 20 10 DECDHN C[C@H]1C[C@@H](CO)N(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232194478 801812280 /nfs/dbraw/zinc/81/22/80/801812280.db2.gz ICIVGOADHRDCQG-ZFWWWQNUSA-N 0 3 324.852 2.379 20 10 DECDHN C[C@@]1(CO)CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232194721 801813404 /nfs/dbraw/zinc/81/34/04/801813404.db2.gz LEIVNFZSAASEQR-QGZVFWFLSA-N 0 3 324.852 2.381 20 10 DECDHN COCCN(CCOC)Cc1cccc(OC(F)(F)F)c1O ZINC001233727233 802191323 /nfs/dbraw/zinc/19/13/23/802191323.db2.gz KTDVMALOEZFVLF-UHFFFAOYSA-N 0 3 323.311 2.386 20 10 DECDHN CN(Cc1ccc(N2CCOCC2)cc1)c1ccncc1CO ZINC001335405123 1150409090 /nfs/dbraw/zinc/40/90/90/1150409090.db2.gz KFENBJDGWWNTEI-UHFFFAOYSA-N 0 3 313.401 2.047 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CC[C@H](c3noc(C)n3)C2)c([O-])c1 ZINC001462584370 1058857245 /nfs/dbraw/zinc/85/72/45/1058857245.db2.gz KUZRCZPYZFLFRH-LBPRGKRZSA-N 0 3 303.362 2.390 20 10 DECDHN COc1cc(C)c(C[N@H+]2CC[C@H](c3noc(C)n3)C2)c([O-])c1 ZINC001462584370 1058857260 /nfs/dbraw/zinc/85/72/60/1058857260.db2.gz KUZRCZPYZFLFRH-LBPRGKRZSA-N 0 3 303.362 2.390 20 10 DECDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001465900116 1059382029 /nfs/dbraw/zinc/38/20/29/1059382029.db2.gz NQQGATRHLYQTCH-YGRLFVJLSA-N 0 3 315.377 2.062 20 10 DECDHN C[C@@H]([NH2+]CCc1nnnn1-c1ccccc1)c1ccccc1[O-] ZINC001473722884 1060716365 /nfs/dbraw/zinc/71/63/65/1060716365.db2.gz RGUZEIMOEGJFCF-CYBMUJFWSA-N 0 3 309.373 2.261 20 10 DECDHN CNC(=O)[C@@H](Cc1ccccc1)NCc1ccc2c(c1)CCCO2 ZINC001474112135 1060817671 /nfs/dbraw/zinc/81/76/71/1060817671.db2.gz UTVFQKFBQGUTFG-GOSISDBHSA-N 0 3 324.424 2.459 20 10 DECDHN COc1cc(C)c(CN2CCO[C@]3(CCO[C@H]3C)C2)c(O)c1 ZINC001621306702 1078172068 /nfs/dbraw/zinc/17/20/68/1078172068.db2.gz SMOPDGMURCCECW-SUMWQHHRSA-N 0 3 307.390 2.089 20 10 DECDHN C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCc1c([O-])cccc1F ZINC001635001062 1078441815 /nfs/dbraw/zinc/44/18/15/1078441815.db2.gz AFZGALYBPSGYAS-HNNXBMFYSA-N 0 3 323.412 2.451 20 10 DECDHN C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCc1c([O-])cccc1F ZINC001635001062 1078441816 /nfs/dbraw/zinc/44/18/16/1078441816.db2.gz AFZGALYBPSGYAS-HNNXBMFYSA-N 0 3 323.412 2.451 20 10 DECDHN CC(C)CN1CC[C@@]2(CC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618513 1079015614 /nfs/dbraw/zinc/01/56/14/1079015614.db2.gz KESUHALTURUALM-GOSISDBHSA-N 0 3 302.418 2.473 20 10 DECDHN CC(C)CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618513 1079015622 /nfs/dbraw/zinc/01/56/22/1079015622.db2.gz KESUHALTURUALM-GOSISDBHSA-N 0 3 302.418 2.473 20 10 DECDHN O=C(NCC(F)F)[C@@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001272619629 1079017371 /nfs/dbraw/zinc/01/73/71/1079017371.db2.gz XFYBVTHXXYNWOQ-ZDUSSCGKSA-N 0 3 324.371 2.376 20 10 DECDHN COc1ccc(C[NH+]2CCC3(CCC(=O)N(C)C3)CC2)c([O-])c1 ZINC001272625897 1079019304 /nfs/dbraw/zinc/01/93/04/1079019304.db2.gz PNRLRCQAFORDOL-UHFFFAOYSA-N 0 3 318.417 2.235 20 10 DECDHN Cc1cc([O-])c(CN2C[C@@H]3CC[C@@]3([NH3+])C2)cc1Br ZINC001235995605 1079071199 /nfs/dbraw/zinc/07/11/99/1079071199.db2.gz VIXIZCGFLGZJPG-SMDDNHRTSA-N 0 3 311.223 2.386 20 10 DECDHN C[C@H]([NH2+]Cc1cc(-c2nnn[n-]2)cs1)c1ccccc1O ZINC001591769774 1076780797 /nfs/dbraw/zinc/78/07/97/1076780797.db2.gz ARNUJFIJWKQHRR-VIFPVBQESA-N 0 3 301.375 2.485 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CCOCC3(CCOCC3)C2)c([O-])c1 ZINC001657753370 1080184848 /nfs/dbraw/zinc/18/48/48/1080184848.db2.gz AQAKEQCKOJLHAP-UHFFFAOYSA-N 0 3 321.417 2.338 20 10 DECDHN COc1cc(C)c(C[N@H+]2CCOCC3(CCOCC3)C2)c([O-])c1 ZINC001657753370 1080184851 /nfs/dbraw/zinc/18/48/51/1080184851.db2.gz AQAKEQCKOJLHAP-UHFFFAOYSA-N 0 3 321.417 2.338 20 10 DECDHN COc1cc(C)c(CN2C[C@H](C)O[C@]3(CCOC3)C2)c(O)c1 ZINC001657886058 1080188609 /nfs/dbraw/zinc/18/86/09/1080188609.db2.gz KBABYENOSFQDSN-SUMWQHHRSA-N 0 3 307.390 2.089 20 10 DECDHN COc1cc(C)c(CN2CCC[C@H](OC(=O)N(C)C)C2)c(O)c1 ZINC001658144972 1080197674 /nfs/dbraw/zinc/19/76/74/1080197674.db2.gz WVPQZPJBJMKXHA-ZDUSSCGKSA-N 0 3 322.405 2.372 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H](CNC(C)=O)C2)c([O-])c1 ZINC001658202339 1080202511 /nfs/dbraw/zinc/20/25/11/1080202511.db2.gz QGXYGXMNKWSCIA-AWEZNQCLSA-N 0 3 306.406 2.057 20 10 DECDHN COc1cc(C)c(C[N@H+]2CCC[C@@H](CNC(C)=O)C2)c([O-])c1 ZINC001658202339 1080202515 /nfs/dbraw/zinc/20/25/15/1080202515.db2.gz QGXYGXMNKWSCIA-AWEZNQCLSA-N 0 3 306.406 2.057 20 10 DECDHN COc1ccc(CNCc2cc(C)c[nH]c2=O)c(O)c1OC ZINC001659035449 1080227338 /nfs/dbraw/zinc/22/73/38/1080227338.db2.gz RELSGCGOEAIJNO-UHFFFAOYSA-N 0 3 304.346 2.108 20 10 DECDHN COc1cc(C)c(C[NH+]2CCC3(CC2)C[C@H](O)CCO3)c([O-])c1 ZINC001660059166 1080261152 /nfs/dbraw/zinc/26/11/52/1080261152.db2.gz TZKJSPQOJSJWBS-CQSZACIVSA-N 0 3 321.417 2.215 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCC[C@]3(CN(C)CCO3)C2)c([O-])c1 ZINC001276814220 1083626499 /nfs/dbraw/zinc/62/64/99/1083626499.db2.gz FIYNBWKLVFNGGD-SFHVURJKSA-N 0 3 320.433 2.088 20 10 DECDHN CCOc1ccc(C[N@H+]2CCC[C@]3(CN(C)CCO3)C2)c([O-])c1 ZINC001276814220 1083626502 /nfs/dbraw/zinc/62/65/02/1083626502.db2.gz FIYNBWKLVFNGGD-SFHVURJKSA-N 0 3 320.433 2.088 20 10 DECDHN CCN(C(=O)[C@@H]1CC12CN(Cc1ccccc1O)C2)C(C)C ZINC001277441170 1083970589 /nfs/dbraw/zinc/97/05/89/1083970589.db2.gz IGXCNJBGMADQTK-HNNXBMFYSA-N 0 3 302.418 2.471 20 10 DECDHN CC(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(O)cc1[O-] ZINC001272987944 1085804682 /nfs/dbraw/zinc/80/46/82/1085804682.db2.gz MAIQQPOXOPOOKH-HZPDHXFCSA-N 0 3 318.417 2.319 20 10 DECDHN CC(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(O)cc1[O-] ZINC001272987944 1085804695 /nfs/dbraw/zinc/80/46/95/1085804695.db2.gz MAIQQPOXOPOOKH-HZPDHXFCSA-N 0 3 318.417 2.319 20 10 DECDHN Cc1ccc(CN2CC3(C[C@@H]3C(=O)N3CCCCO3)C2)c(O)c1 ZINC001277566500 1138330460 /nfs/dbraw/zinc/33/04/60/1138330460.db2.gz KBADUIRBCVZNCU-OAHLLOKOSA-N 0 3 316.401 2.077 20 10 DECDHN COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001236807661 1138434552 /nfs/dbraw/zinc/43/45/52/1138434552.db2.gz IBVZXYDOJLGUOQ-CHWSQXEVSA-N 0 3 307.390 2.483 20 10 DECDHN COC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001236807661 1138434553 /nfs/dbraw/zinc/43/45/53/1138434553.db2.gz IBVZXYDOJLGUOQ-CHWSQXEVSA-N 0 3 307.390 2.483 20 10 DECDHN COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001236812028 1138437401 /nfs/dbraw/zinc/43/74/01/1138437401.db2.gz YFCCNNOOVVVYOD-AAEUAGOBSA-N 0 3 307.390 2.340 20 10 DECDHN COC(=O)[C@H]1C[C@H](C)C[N@@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001236812028 1138437407 /nfs/dbraw/zinc/43/74/07/1138437407.db2.gz YFCCNNOOVVVYOD-AAEUAGOBSA-N 0 3 307.390 2.340 20 10 DECDHN COc1cc(C)c(C[NH+]2CCC3(CCOC3=O)CC2)c([O-])c1 ZINC001236821865 1138440150 /nfs/dbraw/zinc/44/01/50/1138440150.db2.gz VAQKQARQEBPFQH-UHFFFAOYSA-N 0 3 305.374 2.238 20 10 DECDHN OC[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236928130 1138458374 /nfs/dbraw/zinc/45/83/74/1138458374.db2.gz ISSGPYHUBUAHLX-AWEZNQCLSA-N 0 3 324.852 2.381 20 10 DECDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CCOC[C@H](O)C1 ZINC001237641098 1138731303 /nfs/dbraw/zinc/73/13/03/1138731303.db2.gz LWYZHBNLKOCOJI-QGZVFWFLSA-N 0 3 317.360 2.391 20 10 DECDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CCOC[C@H](O)C1 ZINC001237641098 1138731318 /nfs/dbraw/zinc/73/13/18/1138731318.db2.gz LWYZHBNLKOCOJI-QGZVFWFLSA-N 0 3 317.360 2.391 20 10 DECDHN COc1cc(CN2CCc3c(cc[nH]c3=O)C2)c(O)c(OC)c1 ZINC001237682401 1138754524 /nfs/dbraw/zinc/75/45/24/1138754524.db2.gz YYSIEDKQBVWJKB-UHFFFAOYSA-N 0 3 316.357 2.068 20 10 DECDHN COC(=O)C[C@@H]1CCCN(Cc2cc(OC)cc(OC)c2O)C1 ZINC001237682169 1138755524 /nfs/dbraw/zinc/75/55/24/1138755524.db2.gz VAJYNTOVJPLOFM-LBPRGKRZSA-N 0 3 323.389 2.185 20 10 DECDHN CC(C)(C)NC(=O)[C@@]12C[C@@H]1C[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001278255267 1138861219 /nfs/dbraw/zinc/86/12/19/1138861219.db2.gz RJWRFWPZGKFREK-SJKOYZFVSA-N 0 3 306.381 2.268 20 10 DECDHN CC(C)(C)NC(=O)[C@@]12C[C@@H]1C[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001278255267 1138861220 /nfs/dbraw/zinc/86/12/20/1138861220.db2.gz RJWRFWPZGKFREK-SJKOYZFVSA-N 0 3 306.381 2.268 20 10 DECDHN CC[N@H+](C)Cc1cc(I)cc(OC)c1[O-] ZINC001248386388 1141786129 /nfs/dbraw/zinc/78/61/29/1141786129.db2.gz MIUNKCPNIUPNBK-UHFFFAOYSA-N 0 3 321.158 2.457 20 10 DECDHN CC[N@@H+](C)Cc1cc(I)cc(OC)c1[O-] ZINC001248386388 1141786137 /nfs/dbraw/zinc/78/61/37/1141786137.db2.gz MIUNKCPNIUPNBK-UHFFFAOYSA-N 0 3 321.158 2.457 20 10 DECDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c([O-])c1 ZINC001249171496 1141856662 /nfs/dbraw/zinc/85/66/62/1141856662.db2.gz CMGONZLMXHFXFM-RDJZCZTQSA-N 0 3 319.401 2.109 20 10 DECDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c([O-])c1 ZINC001249171496 1141856663 /nfs/dbraw/zinc/85/66/63/1141856663.db2.gz CMGONZLMXHFXFM-RDJZCZTQSA-N 0 3 319.401 2.109 20 10 DECDHN Oc1ccc(CNC[C@H](O)COc2ccc(Cl)cc2)cc1O ZINC001250686574 1142266017 /nfs/dbraw/zinc/26/60/17/1142266017.db2.gz VSYAVYVUDIGZNF-ZDUSSCGKSA-N 0 3 323.776 2.281 20 10 DECDHN C[C@H]1CC[C@@H](NCc2ccc(N3CCCC3)cc2)CS1(=O)=O ZINC001327211168 1148348671 /nfs/dbraw/zinc/34/86/71/1148348671.db2.gz XEGZQRHIXMZNCL-GOEBONIOSA-N 0 3 322.474 2.342 20 10 DECDHN CCOc1cccc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c1[O-] ZINC000092070142 193151725 /nfs/dbraw/zinc/15/17/25/193151725.db2.gz GKAXSCHOCWCGNN-AWEZNQCLSA-N 0 3 316.405 2.295 20 10 DECDHN CCOc1cccc(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)c1[O-] ZINC000092070142 193151727 /nfs/dbraw/zinc/15/17/27/193151727.db2.gz GKAXSCHOCWCGNN-AWEZNQCLSA-N 0 3 316.405 2.295 20 10 DECDHN CCOc1cccc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c1[O-] ZINC000092218104 193175042 /nfs/dbraw/zinc/17/50/42/193175042.db2.gz XWXRWMYPTOEZQB-MRXNPFEDSA-N 0 3 320.433 2.088 20 10 DECDHN CCOc1cccc(C[N@H+]2CCC[C@@H]2CN2CCOCC2)c1[O-] ZINC000092218104 193175044 /nfs/dbraw/zinc/17/50/44/193175044.db2.gz XWXRWMYPTOEZQB-MRXNPFEDSA-N 0 3 320.433 2.088 20 10 DECDHN CCOc1ccc(O)c(CN2CCC(N3CCCC3=O)CC2)c1 ZINC000093088351 193202200 /nfs/dbraw/zinc/20/22/00/193202200.db2.gz OCANPLNOKLNYCL-UHFFFAOYSA-N 0 3 318.417 2.378 20 10 DECDHN C[C@@H](N[C@@H]1COC[C@H]1O)c1ccc(N2CCCCC2)c(F)c1 ZINC000295851621 533530338 /nfs/dbraw/zinc/53/03/38/533530338.db2.gz DZCJOWDLHHUYLP-SRCQZFHVSA-N 0 3 308.397 2.226 20 10 DECDHN Cc1ccc(O)c(CN2CCN(c3nc(C)cc(C)n3)CC2)c1 ZINC000272809434 130066420 /nfs/dbraw/zinc/06/64/20/130066420.db2.gz ADGCNYQGTLABGV-UHFFFAOYSA-N 0 3 312.417 2.430 20 10 DECDHN Cc1ccc([C@H](C)[NH2+]C[C@H](C)N2CCN(C)CC2)c([O-])c1C ZINC000273594146 130142354 /nfs/dbraw/zinc/14/23/54/130142354.db2.gz QBAPJKCNOUOVAZ-HOCLYGCPSA-N 0 3 305.466 2.296 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]C[C@@](C)(O)C(F)(F)F)c1[O-] ZINC000273783438 130166569 /nfs/dbraw/zinc/16/65/69/130166569.db2.gz TWGUXCPXQMCCEK-LLVKDONJSA-N 0 3 313.703 2.457 20 10 DECDHN COc1cccc(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2C)c1[O-] ZINC000275726461 130370329 /nfs/dbraw/zinc/37/03/29/130370329.db2.gz ZJJARCGSVACDMF-BBRMVZONSA-N 0 3 317.389 2.144 20 10 DECDHN [O-]c1cccc2c1[C@H]([NH2+]C1CCN(C[C@H]3CCOC3)CC1)CC2 ZINC000297598595 132024742 /nfs/dbraw/zinc/02/47/42/132024742.db2.gz HXPPSEVVMJBXFQ-RHSMWYFYSA-N 0 3 316.445 2.470 20 10 DECDHN CSC[C@H]1CCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298587222 132069212 /nfs/dbraw/zinc/06/92/12/132069212.db2.gz KBPWJYQDJIVVIE-MRXNPFEDSA-N 0 3 321.490 2.196 20 10 DECDHN O=C1NCCCC[C@H]1NCc1ccc(N2CCCCC2)cc1 ZINC000078972979 401868558 /nfs/dbraw/zinc/86/85/58/401868558.db2.gz YTYZEYAYVIXGNU-QGZVFWFLSA-N 0 3 301.434 2.435 20 10 DECDHN C[C@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000134643029 401909521 /nfs/dbraw/zinc/90/95/21/401909521.db2.gz WKIHSFVDUYNZPJ-OFQRWUPVSA-N 0 3 320.408 2.250 20 10 DECDHN CCOc1cccc(CN2CCCN(C(=O)C3CC3)CC2)c1O ZINC000119049193 401921974 /nfs/dbraw/zinc/92/19/74/401921974.db2.gz WTERUHCXPVQGME-UHFFFAOYSA-N 0 3 318.417 2.235 20 10 DECDHN CCOC(=O)N[C@@H]1CCCN(Cc2cccc(OC)c2O)C1 ZINC000154000545 402186022 /nfs/dbraw/zinc/18/60/22/402186022.db2.gz WZOYKZDNMAJQHL-CYBMUJFWSA-N 0 3 308.378 2.111 20 10 DECDHN Cc1csc2nc(CN(C)Cc3ccccc3O)cc(=O)n12 ZINC000109770887 402276141 /nfs/dbraw/zinc/27/61/41/402276141.db2.gz UWXPQHNCVPDZGO-UHFFFAOYSA-N 0 3 315.398 2.402 20 10 DECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)CN2CCN(C)CC2)c1 ZINC000185343766 402345020 /nfs/dbraw/zinc/34/50/20/402345020.db2.gz MFQBAEASVFBYTR-JKSUJKDBSA-N 0 3 305.466 2.235 20 10 DECDHN CCOc1ccc([O-])c(C[NH2+][C@@]2(CO)C[C@@H](OCC)C2(C)C)c1 ZINC000186591821 402445449 /nfs/dbraw/zinc/44/54/49/402445449.db2.gz XFLAVIBHYHCHKP-SJLPKXTDSA-N 0 3 323.433 2.447 20 10 DECDHN CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])N1CCN(C)CC1 ZINC000170789702 402525700 /nfs/dbraw/zinc/52/57/00/402525700.db2.gz QIWOZJISAXWEAU-WMLDXEAASA-N 0 3 323.456 2.454 20 10 DECDHN C[C@H](NC[C@@H]1COC2(CCOCC2)O1)c1ccc(N(C)C)cc1 ZINC000179987791 402604883 /nfs/dbraw/zinc/60/48/83/402604883.db2.gz ZHBOKDZAZVSMIW-WMLDXEAASA-N 0 3 320.433 2.325 20 10 DECDHN Cc1cc(C(=O)N2CCN[C@@H](C)[C@H]2C)c(C)n1-c1ccccn1 ZINC000262727623 402730045 /nfs/dbraw/zinc/73/00/45/402730045.db2.gz ATMOBQMQQBWXDD-UONOGXRCSA-N 0 3 312.417 2.312 20 10 DECDHN C[C@H](NC(=O)c1cccc(O)c1[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000193158239 402767526 /nfs/dbraw/zinc/76/75/26/402767526.db2.gz UCIAJSUSIFLMDU-QWHCGFSZSA-N 0 3 318.417 2.481 20 10 DECDHN C[C@H](NC(=O)c1cccc(O)c1[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000193158239 402767529 /nfs/dbraw/zinc/76/75/29/402767529.db2.gz UCIAJSUSIFLMDU-QWHCGFSZSA-N 0 3 318.417 2.481 20 10 DECDHN C[C@@H]1CCNC(=O)[C@@H]1NCc1ccc(N2CCCCC2)cc1 ZINC000193685251 402775426 /nfs/dbraw/zinc/77/54/26/402775426.db2.gz CWCKTGHDUZCBTM-RHSMWYFYSA-N 0 3 301.434 2.291 20 10 DECDHN Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000271352550 402861319 /nfs/dbraw/zinc/86/13/19/402861319.db2.gz LRAFGVZMRBBGQT-HOCLYGCPSA-N 0 3 301.390 2.071 20 10 DECDHN Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000271352550 402861321 /nfs/dbraw/zinc/86/13/21/402861321.db2.gz LRAFGVZMRBBGQT-HOCLYGCPSA-N 0 3 301.390 2.071 20 10 DECDHN COc1cc([O-])c(C[NH2+]C[C@H]2COC3(CCCC3)O2)cc1OC ZINC000271800067 402884260 /nfs/dbraw/zinc/88/42/60/402884260.db2.gz IQSKFNUFWUAOHU-ZDUSSCGKSA-N 0 3 323.389 2.185 20 10 DECDHN CCN(C)c1ccc([C@@H](C)NC[C@H]2CCS(=O)(=O)C2)cc1 ZINC000268786007 403113632 /nfs/dbraw/zinc/11/36/32/403113632.db2.gz ZSSQRIBRAPCTMQ-ZIAGYGMSSA-N 0 3 310.463 2.228 20 10 DECDHN COc1cccc(C[NH2+]CCOCC(F)(F)C(F)F)c1[O-] ZINC000277475138 403221761 /nfs/dbraw/zinc/22/17/61/403221761.db2.gz KWIQVNPASBCTEJ-UHFFFAOYSA-N 0 3 311.275 2.407 20 10 DECDHN Cc1nccn1CCN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000270810724 403226825 /nfs/dbraw/zinc/22/68/25/403226825.db2.gz HMYJNNXKFSIYRO-UHFFFAOYSA-N 0 3 314.433 2.160 20 10 DECDHN C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CC[N@@H+](C2CCC2)C1 ZINC000293768064 403558919 /nfs/dbraw/zinc/55/89/19/403558919.db2.gz VADNGNUYHRWWHQ-LBPRGKRZSA-N 0 3 304.390 2.044 20 10 DECDHN C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CC[N@H+](C2CCC2)C1 ZINC000293768064 403558922 /nfs/dbraw/zinc/55/89/22/403558922.db2.gz VADNGNUYHRWWHQ-LBPRGKRZSA-N 0 3 304.390 2.044 20 10 DECDHN CC(C)[C@@]1(CO)CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000294206088 403672774 /nfs/dbraw/zinc/67/27/74/403672774.db2.gz YCDHOXRTYZVHOV-KRWDZBQOSA-N 0 3 307.390 2.351 20 10 DECDHN CC(C)[C@@]1(CO)CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000294206088 403672776 /nfs/dbraw/zinc/67/27/76/403672776.db2.gz YCDHOXRTYZVHOV-KRWDZBQOSA-N 0 3 307.390 2.351 20 10 DECDHN CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])C1 ZINC000294628189 403723531 /nfs/dbraw/zinc/72/35/31/403723531.db2.gz FTYNGDOIRJQPOT-KBPBESRZSA-N 0 3 305.422 2.463 20 10 DECDHN Cc1ccc([O-])c(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1 ZINC000294902705 403737792 /nfs/dbraw/zinc/73/77/92/403737792.db2.gz XKKUDXNGBLVEDA-LSDHHAIUSA-N 0 3 310.397 2.482 20 10 DECDHN Cc1ccc([O-])c(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1 ZINC000294902705 403737796 /nfs/dbraw/zinc/73/77/96/403737796.db2.gz XKKUDXNGBLVEDA-LSDHHAIUSA-N 0 3 310.397 2.482 20 10 DECDHN CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000289684842 403993445 /nfs/dbraw/zinc/99/34/45/403993445.db2.gz OAFWLRKJEPJQOE-ZDUSSCGKSA-N 0 3 320.389 2.002 20 10 DECDHN CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000289684842 403993451 /nfs/dbraw/zinc/99/34/51/403993451.db2.gz OAFWLRKJEPJQOE-ZDUSSCGKSA-N 0 3 320.389 2.002 20 10 DECDHN COc1cc([O-])c(C[NH2+]C[C@H](O)Cc2ccccc2)cc1OC ZINC000289725313 403995284 /nfs/dbraw/zinc/99/52/84/403995284.db2.gz HMYXUQMVNZKWOJ-OAHLLOKOSA-N 0 3 317.385 2.103 20 10 DECDHN C[C@@H]1C[C@H](NCc2ccc(N3CCC(O)CC3)c(F)c2)[C@H](C)O1 ZINC000296505801 404280415 /nfs/dbraw/zinc/28/04/15/404280415.db2.gz RFLFDJIAUTYSGL-IGCXYCKISA-N 0 3 322.424 2.442 20 10 DECDHN CCOc1ccc(O)c(CN2CCC(C(=O)N(C)OC)CC2)c1 ZINC000291247127 404377958 /nfs/dbraw/zinc/37/79/58/404377958.db2.gz LPLBMODBWUAMAH-UHFFFAOYSA-N 0 3 322.405 2.023 20 10 DECDHN CCOc1ccc([O-])c(C[NH+]2CCC(C(=O)N(C)OC)CC2)c1 ZINC000291247127 404377964 /nfs/dbraw/zinc/37/79/64/404377964.db2.gz LPLBMODBWUAMAH-UHFFFAOYSA-N 0 3 322.405 2.023 20 10 DECDHN Cc1cc([O-])c(C[N@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)cc1C ZINC000291642338 404460064 /nfs/dbraw/zinc/46/00/64/404460064.db2.gz TXILVSJTBPOWKA-NVXWUHKLSA-N 0 3 304.434 2.304 20 10 DECDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)cc1C ZINC000291642338 404460075 /nfs/dbraw/zinc/46/00/75/404460075.db2.gz TXILVSJTBPOWKA-NVXWUHKLSA-N 0 3 304.434 2.304 20 10 DECDHN COc1c([O-])c(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000365821539 404726843 /nfs/dbraw/zinc/72/68/43/404726843.db2.gz LGGTYWWYMGGKSK-QWHCGFSZSA-N 0 3 321.377 2.025 20 10 DECDHN COc1c([O-])c(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000365821539 404726846 /nfs/dbraw/zinc/72/68/46/404726846.db2.gz LGGTYWWYMGGKSK-QWHCGFSZSA-N 0 3 321.377 2.025 20 10 DECDHN [O-]c1ccc(F)cc1C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000369140163 227024975 /nfs/dbraw/zinc/02/49/75/227024975.db2.gz PILTXXYXQURBEU-HNNXBMFYSA-N 0 3 305.353 2.200 20 10 DECDHN CCOc1cccc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c1[O-] ZINC000374272515 227129358 /nfs/dbraw/zinc/12/93/58/227129358.db2.gz QYMURUAGVNRRPQ-YOEHRIQHSA-N 0 3 307.390 2.219 20 10 DECDHN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000377394608 227189519 /nfs/dbraw/zinc/18/95/19/227189519.db2.gz YDGLKRLAEBMTOG-GHMZBOCLSA-N 0 3 314.788 2.138 20 10 DECDHN [O-]c1ccc(Cl)c(F)c1CNC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000377394608 227189525 /nfs/dbraw/zinc/18/95/25/227189525.db2.gz YDGLKRLAEBMTOG-GHMZBOCLSA-N 0 3 314.788 2.138 20 10 DECDHN [O-]c1ccc(Cl)c(F)c1CNC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000377394608 227189528 /nfs/dbraw/zinc/18/95/28/227189528.db2.gz YDGLKRLAEBMTOG-GHMZBOCLSA-N 0 3 314.788 2.138 20 10 DECDHN C[C@@H]1C[C@@H]([NH2+]CCN2CCC(O)CC2)c2c1c(F)ccc2[O-] ZINC000834901847 649858674 /nfs/dbraw/zinc/85/86/74/649858674.db2.gz ACODTOUOPXLCOK-BXUZGUMPSA-N 0 3 308.397 2.126 20 10 DECDHN O=C(c1cn[n-]c1[C@@H]1CC[NH2+]C1)N1CC2(CC2)c2ccccc21 ZINC000662469912 425659975 /nfs/dbraw/zinc/65/99/75/425659975.db2.gz MGYLSUOOFGOHQN-GFCCVEGCSA-N 0 3 308.385 2.179 20 10 DECDHN CCN(CC)c1ccc(CN[C@H]2C(=O)NCC[C@@H]2C)cc1F ZINC000193684762 276121028 /nfs/dbraw/zinc/12/10/28/276121028.db2.gz LUBWEJHZBIBSCG-BLLLJJGKSA-N 0 3 307.413 2.286 20 10 DECDHN CCN(C)C(=O)[C@@H](NCc1ccc(N(C)C)c(F)c1)C(C)C ZINC000295001825 276303951 /nfs/dbraw/zinc/30/39/51/276303951.db2.gz IMEDJTRWLSKJNY-INIZCTEOSA-N 0 3 309.429 2.484 20 10 DECDHN CC(C)[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)N(C)C ZINC000514730843 337969653 /nfs/dbraw/zinc/96/96/53/337969653.db2.gz MQAMOIZVNZLXPO-INIZCTEOSA-N 0 3 305.422 2.064 20 10 DECDHN CN(C)c1ccc(/C=C/CN(C)CCN2CCOCC2)cc1 ZINC000835025200 649867896 /nfs/dbraw/zinc/86/78/96/649867896.db2.gz BVRQJUSEOAIDNV-SNAWJCMRSA-N 0 3 303.450 2.030 20 10 DECDHN C[C@]1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CCO[C@@H]1C1CC1 ZINC000368765340 534176462 /nfs/dbraw/zinc/17/64/62/534176462.db2.gz NTYNHWKVFAJKPS-IAGOWNOFSA-N 0 3 305.374 2.416 20 10 DECDHN CN(C)c1ccc(/C=C/CN2CCN(CC(C)(C)O)CC2)cc1 ZINC000835027537 649868668 /nfs/dbraw/zinc/86/86/68/649868668.db2.gz MWOCFFOUZMLISB-AATRIKPKSA-N 0 3 317.477 2.154 20 10 DECDHN CCOCc1cc(CNCC2(C(=O)OC)CC2)ccc1OC ZINC000188680689 520185033 /nfs/dbraw/zinc/18/50/33/520185033.db2.gz XEBYKUWPGSNIRB-UHFFFAOYSA-N 0 3 307.390 2.275 20 10 DECDHN CCC(CC)(CC(=O)OC)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000267258652 521389439 /nfs/dbraw/zinc/38/94/39/521389439.db2.gz JXHNJHAHIYUQEU-UHFFFAOYSA-N 0 3 309.362 2.332 20 10 DECDHN CN(C)c1ccc(CN2CCN(C3CCOCC3)CC2)cc1 ZINC000129718038 522182471 /nfs/dbraw/zinc/18/24/71/522182471.db2.gz UWQYRXYMGMGOBX-UHFFFAOYSA-N 0 3 303.450 2.049 20 10 DECDHN CC[C@@]1(CO)CCCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000190212795 523739132 /nfs/dbraw/zinc/73/91/32/523739132.db2.gz XJKVOSWAUKIVBC-QGZVFWFLSA-N 0 3 309.406 2.394 20 10 DECDHN CC[C@@]1(CO)CCC[N@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000190212795 523739137 /nfs/dbraw/zinc/73/91/37/523739137.db2.gz XJKVOSWAUKIVBC-QGZVFWFLSA-N 0 3 309.406 2.394 20 10 DECDHN CC[C@@]1(CO)CCC[N@@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000190212795 523739142 /nfs/dbraw/zinc/73/91/42/523739142.db2.gz XJKVOSWAUKIVBC-QGZVFWFLSA-N 0 3 309.406 2.394 20 10 DECDHN Cc1cccc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c1[O-] ZINC000180031642 524394819 /nfs/dbraw/zinc/39/48/19/524394819.db2.gz SRPRUPUFYCDIFI-INIZCTEOSA-N 0 3 304.434 2.245 20 10 DECDHN Cc1cccc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c1[O-] ZINC000180031642 524394827 /nfs/dbraw/zinc/39/48/27/524394827.db2.gz SRPRUPUFYCDIFI-INIZCTEOSA-N 0 3 304.434 2.245 20 10 DECDHN C[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)c(F)c1[O-] ZINC000191216699 525474617 /nfs/dbraw/zinc/47/46/17/525474617.db2.gz HRJSESHVOSUKRJ-VXGBXAGGSA-N 0 3 314.376 2.168 20 10 DECDHN CN(C)CCN(Cc1ccco1)Cc1cc2c(cc1O)OCO2 ZINC000289473925 535868014 /nfs/dbraw/zinc/86/80/14/535868014.db2.gz PULSFMFYQKJDQE-UHFFFAOYSA-N 0 3 318.373 2.278 20 10 DECDHN CC[C@H]([NH2+][C@H](C)c1ccc(C)c(C)c1[O-])C(=O)N1CCOCC1 ZINC000273559637 535942219 /nfs/dbraw/zinc/94/22/19/535942219.db2.gz HVVAAZPLSZVDNU-ZBFHGGJFSA-N 0 3 320.433 2.297 20 10 DECDHN CC(C)N1C[C@@H](NC/C=C/c2ccc(N(C)C)cc2)CC1=O ZINC000835039620 649870222 /nfs/dbraw/zinc/87/02/22/649870222.db2.gz HXIZABWGQFJSAW-JFDDCEBESA-N 0 3 301.434 2.365 20 10 DECDHN CN(C)c1ccc(/C=C/CNC[C@H]2CCCCS2(=O)=O)cc1 ZINC000835048800 649871279 /nfs/dbraw/zinc/87/12/79/649871279.db2.gz ZLTAXYIWZMDQSZ-FUTAKVPZSA-N 0 3 322.474 2.323 20 10 DECDHN C[C@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)N1CCCC1 ZINC000835053327 649872468 /nfs/dbraw/zinc/87/24/68/649872468.db2.gz VPKLWFXJEHVXQL-XHPSBEMXSA-N 0 3 301.434 2.366 20 10 DECDHN Cc1ncccc1NC(=O)[C@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000835071774 649874804 /nfs/dbraw/zinc/87/48/04/649874804.db2.gz VAHDOXXQODHLDG-NSHDSACASA-N 0 3 303.337 2.352 20 10 DECDHN CCNC(=O)C(C)(C)NCc1ccc(OC)c(COCC)c1 ZINC000835073429 649875547 /nfs/dbraw/zinc/87/55/47/649875547.db2.gz AORUGYYLNKHAED-UHFFFAOYSA-N 0 3 308.422 2.236 20 10 DECDHN COc1ccc(CN(CCO)Cc2ccccc2)c(O)c1OC ZINC000891451136 624200199 /nfs/dbraw/zinc/20/01/99/624200199.db2.gz RTAZHUWVXRKSFM-UHFFFAOYSA-N 0 3 317.385 2.404 20 10 DECDHN CN(C)c1ccc(CN[C@H]2CCC3(C[C@H]2F)OCCO3)cc1 ZINC000892475673 625820819 /nfs/dbraw/zinc/82/08/19/625820819.db2.gz KWRJBKNUHUGFEC-CVEARBPZSA-N 0 3 308.397 2.476 20 10 DECDHN COc1ccc(C[N@H+](C)C[C@H]2CCCC[C@H]2O)c([O-])c1OC ZINC000893409500 633511127 /nfs/dbraw/zinc/51/11/27/633511127.db2.gz RSPREDCOVPJCRF-TZMCWYRMSA-N 0 3 309.406 2.392 20 10 DECDHN COc1ccc(C[N@@H+](C)C[C@H]2CCCC[C@H]2O)c([O-])c1OC ZINC000893409500 633511128 /nfs/dbraw/zinc/51/11/28/633511128.db2.gz RSPREDCOVPJCRF-TZMCWYRMSA-N 0 3 309.406 2.392 20 10 DECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000840974292 635979442 /nfs/dbraw/zinc/97/94/42/635979442.db2.gz FDFNPGBCJHCIPA-CQSZACIVSA-N 0 3 318.417 2.378 20 10 DECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000840974292 635979445 /nfs/dbraw/zinc/97/94/45/635979445.db2.gz FDFNPGBCJHCIPA-CQSZACIVSA-N 0 3 318.417 2.378 20 10 DECDHN COC(=O)c1c(CNC[C@@H]2CCCO2)c2cc(F)ccc2n1C ZINC000894146221 636295950 /nfs/dbraw/zinc/29/59/50/636295950.db2.gz QEKYLIYRLGEWRC-LBPRGKRZSA-N 0 3 320.364 2.373 20 10 DECDHN COc1ccc(C[NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)c([O-])c1 ZINC000894186449 636400232 /nfs/dbraw/zinc/40/02/32/636400232.db2.gz WZUAYDWDVOYFAD-UONOGXRCSA-N 0 3 311.353 2.124 20 10 DECDHN C[C@H]([NH2+]CC(C)(C)[C@H]1COCC12OCCO2)c1ccccc1[O-] ZINC000840795897 650358935 /nfs/dbraw/zinc/35/89/35/650358935.db2.gz CAFVYXVOWOHIAR-XJKSGUPXSA-N 0 3 321.417 2.459 20 10 DECDHN Cc1nn(C)c(CNCCc2ccc(N)cc2)c1Br ZINC000841038488 650411036 /nfs/dbraw/zinc/41/10/36/650411036.db2.gz KLFRAWIJMHTPJT-UHFFFAOYSA-N 0 3 323.238 2.406 20 10 DECDHN COc1ccc(N2CCN(CC3(O)CCCC3)CC2)cc1F ZINC000747657694 638460753 /nfs/dbraw/zinc/46/07/53/638460753.db2.gz RAMIAZRETXKMDV-UHFFFAOYSA-N 0 3 308.397 2.261 20 10 DECDHN O=[N+]([O-])c1cc(CNC2(CO)CC2)ccc1N1CCCCC1 ZINC000753851266 639349210 /nfs/dbraw/zinc/34/92/10/639349210.db2.gz TYHNQPYYIFZNDW-UHFFFAOYSA-N 0 3 305.378 2.200 20 10 DECDHN C[C@H](CCS(C)(=O)=O)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756659215 639683567 /nfs/dbraw/zinc/68/35/67/639683567.db2.gz PMGIUZZVYACBAE-HOSYDEDBSA-N 0 3 315.410 2.492 20 10 DECDHN CCN(CC)c1ccc(CNC(=O)N2CCN[C@H](C)[C@@H]2C)cc1 ZINC000841717974 650550502 /nfs/dbraw/zinc/55/05/02/650550502.db2.gz OYDJGVDDQABYEE-CABCVRRESA-N 0 3 318.465 2.425 20 10 DECDHN C[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc2ccccc2c1[O-] ZINC000762788755 640459904 /nfs/dbraw/zinc/45/99/04/640459904.db2.gz QOCDXNQFCKESBM-ACJLOTCBSA-N 0 3 300.402 2.263 20 10 DECDHN CC[C@H]([NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)c1ccccc1[O-] ZINC000898152590 641038606 /nfs/dbraw/zinc/03/86/06/641038606.db2.gz LSDCBIGTYTVCKG-OCCSQVGLSA-N 0 3 314.389 2.207 20 10 DECDHN CCOC[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768449619 641083494 /nfs/dbraw/zinc/08/34/94/641083494.db2.gz WXAXSRZFGMSWTQ-MLGOLLRUSA-N 0 3 307.390 2.067 20 10 DECDHN CCOC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768449619 641083498 /nfs/dbraw/zinc/08/34/98/641083498.db2.gz WXAXSRZFGMSWTQ-MLGOLLRUSA-N 0 3 307.390 2.067 20 10 DECDHN Cc1ccc(C(=O)NCCN2CCCC(C)(C)C2)c(O)c1O ZINC000769698299 641276552 /nfs/dbraw/zinc/27/65/52/641276552.db2.gz XYEWCWXRDAOVMA-UHFFFAOYSA-N 0 3 306.406 2.258 20 10 DECDHN Cc1cc(CNC[C@@H](c2ccc(N(C)C)cc2)N(C)C)on1 ZINC000898448413 641659663 /nfs/dbraw/zinc/65/96/63/641659663.db2.gz RJYFAMSLYVLVCY-KRWDZBQOSA-N 0 3 302.422 2.442 20 10 DECDHN C[C@@H](NC(=S)NC1CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000774255967 641882825 /nfs/dbraw/zinc/88/28/25/641882825.db2.gz LUCSPRTUZUQVFQ-CYBMUJFWSA-N 0 3 320.506 2.372 20 10 DECDHN C[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000899098689 641939915 /nfs/dbraw/zinc/93/99/15/641939915.db2.gz RDISQGAMXJTZQY-CXAGYDPISA-N 0 3 318.465 2.453 20 10 DECDHN CC[C@@H](C)NC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775257057 642022208 /nfs/dbraw/zinc/02/22/08/642022208.db2.gz DZHJQGBLQTXWEN-HUUCEWRRSA-N 0 3 319.449 2.089 20 10 DECDHN Cc1cc(CN(C)Cc2ccc(N3CCN(C)CC3)cc2)no1 ZINC000775653465 642073135 /nfs/dbraw/zinc/07/31/35/642073135.db2.gz HAQWFMNYDRKHAX-UHFFFAOYSA-N 0 3 314.433 2.367 20 10 DECDHN COc1ccc(O)c(CN2CCC[C@@H](NC(=O)C(C)C)C2)c1 ZINC000775667950 642075231 /nfs/dbraw/zinc/07/52/31/642075231.db2.gz OUOMGHFVDQVHCU-CQSZACIVSA-N 0 3 306.406 2.137 20 10 DECDHN Cc1cc(Br)cc(C[NH2+][C@@H](CO)C2CC2)c1[O-] ZINC000776178046 642139938 /nfs/dbraw/zinc/13/99/38/642139938.db2.gz ZBMZITKQRBNOKH-LBPRGKRZSA-N 0 3 300.196 2.324 20 10 DECDHN COc1ccc(CNC[C@@](C)(O)C(=O)OC(C)(C)C)cc1C ZINC000776520771 642180515 /nfs/dbraw/zinc/18/05/15/642180515.db2.gz QDXFQBNJIPETCF-QGZVFWFLSA-N 0 3 309.406 2.186 20 10 DECDHN COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000776867887 642214437 /nfs/dbraw/zinc/21/44/37/642214437.db2.gz NXMCSKHMDVPYLQ-DIOULYMOSA-N 0 3 313.369 2.002 20 10 DECDHN CCOc1ccc(C[NH2+][C@H](CO)Cc2ccccc2)c([O-])c1 ZINC000782545987 642895290 /nfs/dbraw/zinc/89/52/90/642895290.db2.gz ZFMBYWYLZBLMOM-INIZCTEOSA-N 0 3 301.386 2.484 20 10 DECDHN CSCC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000902393524 643028254 /nfs/dbraw/zinc/02/82/54/643028254.db2.gz OVUMHWUJTCRGCG-HNNXBMFYSA-N 0 3 309.431 2.393 20 10 DECDHN CCOc1cccc(CN[C@@H]2CCN(C(C)(C)C)C2=O)c1O ZINC000842721252 650811535 /nfs/dbraw/zinc/81/15/35/650811535.db2.gz QZBYTKUUGCHZRS-CYBMUJFWSA-N 0 3 306.406 2.280 20 10 DECDHN Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC000903396006 643333418 /nfs/dbraw/zinc/33/34/18/643333418.db2.gz KYENFOKYNZJBFG-STQMWFEESA-N 0 3 314.389 2.126 20 10 DECDHN C[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1nccn1C ZINC000903448607 643354734 /nfs/dbraw/zinc/35/47/34/643354734.db2.gz QRYZUOAXLKNNHC-PBHICJAKSA-N 0 3 315.465 2.440 20 10 DECDHN CCN(CC)c1ccc(CNC[C@@H](O)C2(O)CCC2)cc1F ZINC000905106516 643791129 /nfs/dbraw/zinc/79/11/29/643791129.db2.gz QLJBYMHLZASILL-MRXNPFEDSA-N 0 3 310.413 2.037 20 10 DECDHN C[C@H]1OCC[C@]12CN(Cc1cc3c(cc1O)CCC3)CCO2 ZINC000794657762 644455126 /nfs/dbraw/zinc/45/51/26/644455126.db2.gz HNFPVKWHLGQVCL-ACJLOTCBSA-N 0 3 303.402 2.261 20 10 DECDHN CNC(=O)[C@H](CCSC)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000806663089 645859560 /nfs/dbraw/zinc/85/95/60/645859560.db2.gz LZDIFDCLEGXNSJ-SKDRFNHKSA-N 0 3 300.399 2.050 20 10 DECDHN CN(C)C(=O)N[C@H]1CCCN(Cc2cc3c(cc2O)CCC3)C1 ZINC000840147670 646149411 /nfs/dbraw/zinc/14/94/11/646149411.db2.gz UKWFZACYMNBOOA-INIZCTEOSA-N 0 3 317.433 2.117 20 10 DECDHN COc1ccc(O)c(CN2CCCC[C@@H]2COC(=O)N(C)C)c1 ZINC000809709270 646266967 /nfs/dbraw/zinc/26/69/67/646266967.db2.gz OSNAMXKBCTVOGY-CQSZACIVSA-N 0 3 322.405 2.454 20 10 DECDHN CCOc1ccc(CN2CCC(F)(F)[C@H](CO)C2)c(O)c1 ZINC000812776117 646693978 /nfs/dbraw/zinc/69/39/78/646693978.db2.gz RNHYVCAUVRTPDC-LBPRGKRZSA-N 0 3 301.333 2.240 20 10 DECDHN COc1cc(CN2CC[C@@H](NC(C)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000817364963 647277026 /nfs/dbraw/zinc/27/70/26/647277026.db2.gz IIEMKNYVRADZDG-CQSZACIVSA-N 0 3 320.433 2.409 20 10 DECDHN C[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(Br)cc(F)c1[O-] ZINC000817977848 647399041 /nfs/dbraw/zinc/39/90/41/647399041.db2.gz QOYWWTRUBYFACA-IGYIBNOWSA-N 0 3 315.186 2.162 20 10 DECDHN C[C@@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000823516110 648437260 /nfs/dbraw/zinc/43/72/60/648437260.db2.gz YJQSIRBEVZTWSN-HUUCEWRRSA-N 0 3 303.450 2.489 20 10 DECDHN COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000824702566 648638477 /nfs/dbraw/zinc/63/84/77/648638477.db2.gz NVOJOLAQBSGSTM-NEPJUHHUSA-N 0 3 313.781 2.486 20 10 DECDHN CC[C@@H]1CN(CC)CCN1Cc1cc(OC)c(OC)cc1O ZINC000825005457 648683715 /nfs/dbraw/zinc/68/37/15/648683715.db2.gz LJWCQRAMZMDTFN-CQSZACIVSA-N 0 3 308.422 2.326 20 10 DECDHN COc1c([O-])c(C[N@H+](C)[C@@H]2CCN(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000825338380 648745424 /nfs/dbraw/zinc/74/54/24/648745424.db2.gz PQPATSBGHIQISO-CYBMUJFWSA-N 0 3 323.393 2.224 20 10 DECDHN COc1c([O-])c(C[N@@H+](C)[C@@H]2CCN(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000825338380 648745428 /nfs/dbraw/zinc/74/54/28/648745428.db2.gz PQPATSBGHIQISO-CYBMUJFWSA-N 0 3 323.393 2.224 20 10 DECDHN Cc1cc(Br)cc(C[NH2+]C2([C@@H](C)O)CC2)c1[O-] ZINC000827586264 649054067 /nfs/dbraw/zinc/05/40/67/649054067.db2.gz VWMAYAQDOLWHCP-SECBINFHSA-N 0 3 300.196 2.466 20 10 DECDHN CC(C)[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)N1CCOCC1 ZINC000834496956 649807313 /nfs/dbraw/zinc/80/73/13/649807313.db2.gz SXVMDSIPWWYMRF-HZPDHXFCSA-N 0 3 304.434 2.326 20 10 DECDHN O=C(NCc1cc(Cl)ccc1O)N[C@H]1CCN(C2CC2)C1 ZINC000844981172 651190041 /nfs/dbraw/zinc/19/00/41/651190041.db2.gz RLOQXFVFICHAEI-LBPRGKRZSA-N 0 3 309.797 2.082 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c1[O-] ZINC000846071140 651306190 /nfs/dbraw/zinc/30/61/90/651306190.db2.gz BYGWXZYXBLPUQK-JTQLQIEISA-N 0 3 324.808 2.155 20 10 DECDHN COc1cccc([C@H](C)N[C@H]2CCN(C(C)(C)C)C2=O)c1O ZINC000846172363 651312714 /nfs/dbraw/zinc/31/27/14/651312714.db2.gz LPRIDGXNZIHPAW-AAEUAGOBSA-N 0 3 306.406 2.451 20 10 DECDHN Cc1ncncc1[C@@H](C)NCc1ccc(N2CCOCC2)cc1 ZINC000848523998 651467110 /nfs/dbraw/zinc/46/71/10/651467110.db2.gz PKPKZOMPVHVHKZ-CQSZACIVSA-N 0 3 312.417 2.472 20 10 DECDHN CCOc1ccc(C[NH2+][C@H](CO)[C@@H]2CCC[C@H](OC)C2)c([O-])c1 ZINC000850353960 651909222 /nfs/dbraw/zinc/90/92/22/651909222.db2.gz QYOZQTABVXTUHU-UKPHBRMFSA-N 0 3 323.433 2.447 20 10 DECDHN CS(=O)(=O)C1(CNCc2ccc3c(c2)CCO3)CCCCC1 ZINC000850376941 651915438 /nfs/dbraw/zinc/91/54/38/651915438.db2.gz OZCXBEBNKBILHG-UHFFFAOYSA-N 0 3 323.458 2.459 20 10 DECDHN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cn[nH]c1 ZINC000850567415 651953627 /nfs/dbraw/zinc/95/36/27/651953627.db2.gz BQMXWKLGDJUART-ZDUSSCGKSA-N 0 3 300.406 2.222 20 10 DECDHN O=C1N(CC[NH2+][C@H]2CCc3cccc([O-])c32)C[C@H]2CCCCN12 ZINC000850560368 651954025 /nfs/dbraw/zinc/95/40/25/651954025.db2.gz DPOFWDPIJZGCTM-CABCVRRESA-N 0 3 315.417 2.259 20 10 DECDHN C[C@H](CC[S@](C)=O)NCc1cc(F)c(N(C)C)cc1F ZINC000858149605 652266916 /nfs/dbraw/zinc/26/69/16/652266916.db2.gz PNWDGZIYXCMTNJ-SBKAZYGRSA-N 0 3 304.406 2.278 20 10 DECDHN [O-]c1ccccc1C[NH2+]CC1(OCCO)CCC(F)(F)CC1 ZINC000858236177 652286350 /nfs/dbraw/zinc/28/63/50/652286350.db2.gz CQZOHZHZTXRMAO-UHFFFAOYSA-N 0 3 315.360 2.439 20 10 DECDHN COc1ccc2c(c1)C[C@@H](C(C)C)CN2C[C@H]1CNCCO1 ZINC000852751877 652449679 /nfs/dbraw/zinc/44/96/79/652449679.db2.gz JHTRKKONRQNTBY-NVXWUHKLSA-N 0 3 304.434 2.318 20 10 DECDHN CN(C)c1ccc(CNC(=O)c2cccc3c2CNC3)cc1F ZINC000852799335 652459043 /nfs/dbraw/zinc/45/90/43/652459043.db2.gz RQOFOUKVYGMOKZ-UHFFFAOYSA-N 0 3 313.376 2.425 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@H+](C)C[C@@H]3COCCO3)c2c1 ZINC000853560642 652568384 /nfs/dbraw/zinc/56/83/84/652568384.db2.gz XQRVGDVHPLGUEV-OAHLLOKOSA-N 0 3 317.385 2.401 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@@H+](C)C[C@@H]3COCCO3)c2c1 ZINC000853560642 652568387 /nfs/dbraw/zinc/56/83/87/652568387.db2.gz XQRVGDVHPLGUEV-OAHLLOKOSA-N 0 3 317.385 2.401 20 10 DECDHN Cc1ccc(O)c(CNC(=O)NC[C@@H]2CCN2C(C)(C)C)c1 ZINC000858596608 685565322 /nfs/dbraw/zinc/56/53/22/685565322.db2.gz GXZQDDDLGVGENY-AWEZNQCLSA-N 0 3 305.422 2.373 20 10 DECDHN OCc1cc(NCc2ccc(N3CCC(O)CC3)cc2)ccn1 ZINC000858633703 685572064 /nfs/dbraw/zinc/57/20/64/685572064.db2.gz AJUKESFAEAUVKW-UHFFFAOYSA-N 0 3 313.401 2.147 20 10 DECDHN CC(C)[C@H](C(=O)NCCCSc1nccs1)N(C)C ZINC000114374810 684062853 /nfs/dbraw/zinc/06/28/53/684062853.db2.gz AEYYKTCOVXCAIE-LLVKDONJSA-N 0 3 301.481 2.328 20 10 DECDHN CN1CCc2cc([C@H]3NC(=N)Nc4nc5ccccc5n43)ccc21 ZINC000130152930 684185616 /nfs/dbraw/zinc/18/56/16/684185616.db2.gz OCENSHXAUFUZLS-INIZCTEOSA-N 0 3 318.384 2.125 20 10 DECDHN COc1cccc(CN[C@H]2CCN(C3CCCCC3)C2=O)c1O ZINC000131666465 684201187 /nfs/dbraw/zinc/20/11/87/684201187.db2.gz WIYBRPSURUBAIZ-HNNXBMFYSA-N 0 3 318.417 2.424 20 10 DECDHN COc1ccc(N2CCN(CCCCCNC(C)=O)CC2)cc1 ZINC000929152852 693907161 /nfs/dbraw/zinc/90/71/61/693907161.db2.gz GNEVGDILQJGFSG-UHFFFAOYSA-N 0 3 319.449 2.124 20 10 DECDHN COC(=O)[C@]1(OC)CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000862474349 686306972 /nfs/dbraw/zinc/30/69/72/686306972.db2.gz PLZQMRIDSYSLNG-SFHVURJKSA-N 0 3 315.369 2.309 20 10 DECDHN COC(=O)[C@]1(OC)CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000862474349 686306975 /nfs/dbraw/zinc/30/69/75/686306975.db2.gz PLZQMRIDSYSLNG-SFHVURJKSA-N 0 3 315.369 2.309 20 10 DECDHN Cc1nnc(CC[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)o1 ZINC000929971110 694061600 /nfs/dbraw/zinc/06/16/00/694061600.db2.gz MAJYNUFPQKFVLE-OAHLLOKOSA-N 0 3 317.389 2.307 20 10 DECDHN Cc1nnc(CC[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)o1 ZINC000929971110 694061603 /nfs/dbraw/zinc/06/16/03/694061603.db2.gz MAJYNUFPQKFVLE-OAHLLOKOSA-N 0 3 317.389 2.307 20 10 DECDHN [O-]c1cc2c(cc1C[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)OCO2 ZINC000865762918 687326529 /nfs/dbraw/zinc/32/65/29/687326529.db2.gz YQQRFGNSFMDLFL-PXAZEXFGSA-N 0 3 305.374 2.416 20 10 DECDHN COc1ccc(O)c([C@H](C)NCc2[nH]nc3c2COCC3)c1 ZINC000930216633 694114063 /nfs/dbraw/zinc/11/40/63/694114063.db2.gz MKNXFTLFPROZGX-JTQLQIEISA-N 0 3 303.362 2.047 20 10 DECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000876583687 689865628 /nfs/dbraw/zinc/86/56/28/689865628.db2.gz NPSRWFWLIDBGHE-HNNXBMFYSA-N 0 3 302.418 2.439 20 10 DECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000876583687 689865631 /nfs/dbraw/zinc/86/56/31/689865631.db2.gz NPSRWFWLIDBGHE-HNNXBMFYSA-N 0 3 302.418 2.439 20 10 DECDHN Cc1cccc(O)c1CN(C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000876734384 689920682 /nfs/dbraw/zinc/92/06/82/689920682.db2.gz FFCTYROYNUDNFY-GFCCVEGCSA-N 0 3 316.323 2.296 20 10 DECDHN COCC1(C2CC2)CN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000877686101 690191557 /nfs/dbraw/zinc/19/15/57/690191557.db2.gz KXCDXSBKYFRZBX-UHFFFAOYSA-N 0 3 316.445 2.382 20 10 DECDHN COc1ccc(N2CCN(C[C@H](O)C(C)(C)C)CC2)c(OC)c1 ZINC000879461380 690646326 /nfs/dbraw/zinc/64/63/26/690646326.db2.gz BLGVKRZOCPEXJE-KRWDZBQOSA-N 0 3 322.449 2.233 20 10 DECDHN CC(=O)c1cc(F)cc(CN2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1[O-] ZINC000879571549 690676327 /nfs/dbraw/zinc/67/63/27/690676327.db2.gz BQXPXDKDCDNYGR-BLLLJJGKSA-N 0 3 306.381 2.260 20 10 DECDHN CC(=O)c1cc(F)cc(CN2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1[O-] ZINC000879571549 690676330 /nfs/dbraw/zinc/67/63/30/690676330.db2.gz BQXPXDKDCDNYGR-BLLLJJGKSA-N 0 3 306.381 2.260 20 10 DECDHN COc1cccc(CNC(=O)C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879647662 690698688 /nfs/dbraw/zinc/69/86/88/690698688.db2.gz HMSGGIIKDFUKNT-CYBMUJFWSA-N 0 3 314.385 2.368 20 10 DECDHN Cc1nc(CNCc2ccc(N3CCN(C)CC3)cc2)cs1 ZINC000883284094 691471410 /nfs/dbraw/zinc/47/14/10/691471410.db2.gz DZVWLFUUDPXPHD-UHFFFAOYSA-N 0 3 316.474 2.493 20 10 DECDHN CCN(CC)c1ccc(CN[C@@H]2CS(=O)(=O)C[C@@H]2C)cc1 ZINC000886295979 692047420 /nfs/dbraw/zinc/04/74/20/692047420.db2.gz VOPQNXAIMGPREE-XJKSGUPXSA-N 0 3 310.463 2.056 20 10 DECDHN C[C@@H]1CS(=O)(=O)C[C@@H]1NCc1ccc(N2CCCCC2)cc1 ZINC000886295572 692047514 /nfs/dbraw/zinc/04/75/14/692047514.db2.gz AXYZUQRBXXCLPK-PBHICJAKSA-N 0 3 322.474 2.200 20 10 DECDHN Cc1cc(CN(C)[C@@H]2COC[C@H]2O)ccc1N1CCCCC1 ZINC000886517945 692098937 /nfs/dbraw/zinc/09/89/37/692098937.db2.gz XQDSJWNESCBJNV-QZTJIDSGSA-N 0 3 304.434 2.177 20 10 DECDHN C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1c([O-])cccc1F ZINC000886607189 692131005 /nfs/dbraw/zinc/13/10/05/692131005.db2.gz MEPVZMAHGAYXST-ZDUSSCGKSA-N 0 3 309.429 2.208 20 10 DECDHN C[C@H](NC[C@@H]1C[NH2+]CCC1(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000925784810 693341636 /nfs/dbraw/zinc/34/16/36/693341636.db2.gz SKYCPMBMXVUNQZ-UWVGGRQHSA-N 0 3 315.320 2.196 20 10 DECDHN C[C@H]([NH2+][C@H]1CNCC2(CCOCC2)C1)c1ccc(F)cc1[O-] ZINC000925793057 693342639 /nfs/dbraw/zinc/34/26/39/693342639.db2.gz QLUJRJQJWASHKI-GXTWGEPZSA-N 0 3 308.397 2.341 20 10 DECDHN COc1ccc(N2CCN(c3ccncc3CO)CC2)cc1F ZINC001342916774 1150626985 /nfs/dbraw/zinc/62/69/85/1150626985.db2.gz ZFXZIJJLGBLOQJ-UHFFFAOYSA-N 0 3 317.364 2.048 20 10 DECDHN C[C@H](CCNCc1cc(F)c(N(C)C)cc1F)[S@](C)=O ZINC001348090589 1151119156 /nfs/dbraw/zinc/11/91/56/1151119156.db2.gz ZOKKICZXPDZDEM-SBKAZYGRSA-N 0 3 304.406 2.278 20 10 DECDHN CCN(C(=O)NCc1ccc(N(C)C)c(F)c1)[C@H]1CCN(C)C1 ZINC001350478809 1151362045 /nfs/dbraw/zinc/36/20/45/1151362045.db2.gz CFUAJCZXIOEGRR-AWEZNQCLSA-N 0 3 322.428 2.127 20 10 DECDHN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H](CO)c1cnn(C)c1 ZINC001116567150 794969560 /nfs/dbraw/zinc/96/95/60/794969560.db2.gz BIYZVKONPSNQRZ-KWCYVHTRSA-N 0 3 301.390 2.306 20 10 DECDHN CN(C)c1cc(F)c(CNC[C@H](CO)c2cccnc2)cc1F ZINC001118804141 795228644 /nfs/dbraw/zinc/22/86/44/795228644.db2.gz ZNYNOEADPRYXAU-CQSZACIVSA-N 0 3 321.371 2.292 20 10 DECDHN Oc1c(CN2CC3(CC(O)C3)C2)cc2c3c1CCCN3CCC2 ZINC001138338935 796199995 /nfs/dbraw/zinc/19/99/95/796199995.db2.gz WKWMNESWJZSVFP-UHFFFAOYSA-N 0 3 314.429 2.048 20 10 DECDHN Cc1ccc(C)c(CN2CCN(C[C@@H]3CCCO3)CC2)c1O ZINC001140179707 796486640 /nfs/dbraw/zinc/48/66/40/796486640.db2.gz MWLAZBUACYAQHU-INIZCTEOSA-N 0 3 304.434 2.306 20 10 DECDHN CCN1CCN(c2ccc(CN3C[C@@H](F)[C@H](F)C3)cc2)CC1 ZINC001140301872 796503461 /nfs/dbraw/zinc/50/34/61/796503461.db2.gz CADNJVFGJKXYEB-IAGOWNOFSA-N 0 3 309.404 2.320 20 10 DECDHN CCN(CC)c1ccc(CN2CC(CC(=O)OC)C2)c(O)c1 ZINC001140855240 796584229 /nfs/dbraw/zinc/58/42/29/796584229.db2.gz SYKOXAVDYWLRFB-UHFFFAOYSA-N 0 3 306.406 2.233 20 10 DECDHN COC[C@H]1Cn2nccc2CN(Cc2ccc(C)cc2O)C1 ZINC001140950156 796606505 /nfs/dbraw/zinc/60/65/05/796606505.db2.gz PBFQLXXMFTWJQJ-CQSZACIVSA-N 0 3 301.390 2.176 20 10 DECDHN COc1cc([O-])c(C[N@H+](C)[C@H]2CCC3(C2)OCCO3)c(OC)c1 ZINC001141030636 796621275 /nfs/dbraw/zinc/62/12/75/796621275.db2.gz DXMGNFOYIXXQPM-LBPRGKRZSA-N 0 3 323.389 2.137 20 10 DECDHN COc1cc([O-])c(C[N@@H+](C)[C@H]2CCC3(C2)OCCO3)c(OC)c1 ZINC001141030636 796621277 /nfs/dbraw/zinc/62/12/77/796621277.db2.gz DXMGNFOYIXXQPM-LBPRGKRZSA-N 0 3 323.389 2.137 20 10 DECDHN CCc1nc(C2CCN(Cc3cc(O)ccc3O)CC2)no1 ZINC001141160775 796643132 /nfs/dbraw/zinc/64/31/32/796643132.db2.gz HXUOBDBUDNGZOQ-UHFFFAOYSA-N 0 3 303.362 2.423 20 10 DECDHN COc1ccnc(O[C@H]2CCN(Cc3cc(O)ccc3O)C2)c1 ZINC001141162984 796643248 /nfs/dbraw/zinc/64/32/48/796643248.db2.gz NKWWZDCZQKUSDP-HNNXBMFYSA-N 0 3 316.357 2.155 20 10 DECDHN C[C@@H](NC(=S)NCCN1CCCCC1)c1ccccc1O ZINC001200440005 798628704 /nfs/dbraw/zinc/62/87/04/798628704.db2.gz FVUUDIZMQYWVIG-CYBMUJFWSA-N 0 3 307.463 2.403 20 10 DECDHN Cc1c(CN2CCO[C@@H](CN(C)C)C2)c2ccccc2n1C ZINC001138252458 799805438 /nfs/dbraw/zinc/80/54/38/799805438.db2.gz HXAOKQAHYMKVHV-HNNXBMFYSA-N 0 3 301.434 2.249 20 10 DECDHN COc1cccc(CN2CCC[C@@H](Oc3cnccn3)C2)c1O ZINC001203601894 800087821 /nfs/dbraw/zinc/08/78/21/800087821.db2.gz PVINXEXJWIUKGW-CQSZACIVSA-N 0 3 315.373 2.234 20 10 DECDHN COc1cccc(CN2CCC[C@H](Oc3ncccn3)C2)c1O ZINC001203601687 800088426 /nfs/dbraw/zinc/08/84/26/800088426.db2.gz HCGFBVNLARQOOU-AWEZNQCLSA-N 0 3 315.373 2.234 20 10 DECDHN COc1ccc(C[N@@H+]2CCC[C@]3(CCCC(=O)N3)C2)c([O-])c1 ZINC001203623180 800092799 /nfs/dbraw/zinc/09/27/99/800092799.db2.gz LSXHSMLPZLITDU-QGZVFWFLSA-N 0 3 304.390 2.036 20 10 DECDHN COc1ccc(C[N@H+]2CCC[C@]3(CCCC(=O)N3)C2)c([O-])c1 ZINC001203623180 800092808 /nfs/dbraw/zinc/09/28/08/800092808.db2.gz LSXHSMLPZLITDU-QGZVFWFLSA-N 0 3 304.390 2.036 20 10 DECDHN COc1cc(CN2CC[C@@H](c3cccnc3)C2)cc(O)c1O ZINC001204345174 800207208 /nfs/dbraw/zinc/20/72/08/800207208.db2.gz NMZHVYOTHFXMFY-CQSZACIVSA-N 0 3 300.358 2.491 20 10 DECDHN COC(=O)c1c(CN2CCN(C)[C@H](C)C2)c2ccccc2n1C ZINC001232405483 801872653 /nfs/dbraw/zinc/87/26/53/801872653.db2.gz LJLZKIBVXJWUAO-CYBMUJFWSA-N 0 3 315.417 2.101 20 10 DECDHN COc1cc(Cl)cc(CN2CCC(n3cnnc3)CC2)c1O ZINC001233289975 802063965 /nfs/dbraw/zinc/06/39/65/802063965.db2.gz ADQRZQAAYIAQJB-UHFFFAOYSA-N 0 3 322.796 2.483 20 10 DECDHN COc1cc(Cl)cc(CN2CCC3(CCC(=O)N3)CC2)c1O ZINC001233290964 802065766 /nfs/dbraw/zinc/06/57/66/802065766.db2.gz FOXITNMYOURRJS-UHFFFAOYSA-N 0 3 324.808 2.299 20 10 DECDHN Oc1ccc(F)c(F)c1CN1CC(N2CCC(F)CC2)C1 ZINC001233335427 802080402 /nfs/dbraw/zinc/08/04/02/802080402.db2.gz UWNPBXRYVPQQGO-UHFFFAOYSA-N 0 3 300.324 2.289 20 10 DECDHN [O-]c1c(C[NH+]2CC(C3COC3)C2)cccc1OC(F)(F)F ZINC001233728339 802191532 /nfs/dbraw/zinc/19/15/32/802191532.db2.gz VXCPISFUZVFIFR-UHFFFAOYSA-N 0 3 303.280 2.369 20 10 DECDHN COC(=O)c1c(CNC[C@@H](O)C(C)C)c2cc(F)ccc2n1C ZINC001331531847 1149513460 /nfs/dbraw/zinc/51/34/60/1149513460.db2.gz DTZAZJBIIDBONH-OAHLLOKOSA-N 0 3 322.380 2.211 20 10 DECDHN COc1cc(C)c(C[NH2+]CCc2cn3c(n2)SCC3)c([O-])c1 ZINC001462128730 1058763395 /nfs/dbraw/zinc/76/33/95/1058763395.db2.gz UUBYCMGGSBHOIR-UHFFFAOYSA-N 0 3 319.430 2.344 20 10 DECDHN COc1ccc(C[NH+](C)C)cc1NC(=O)c1cccc(O)c1[O-] ZINC001463837346 1059031643 /nfs/dbraw/zinc/03/16/43/1059031643.db2.gz SCAIAFRAYOOYHF-UHFFFAOYSA-N 0 3 316.357 2.420 20 10 DECDHN C[C@H]1CCCN(CCNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001464143794 1059083170 /nfs/dbraw/zinc/08/31/70/1059083170.db2.gz CFNVGITVMDNHEL-LBPRGKRZSA-N 0 3 317.393 2.311 20 10 DECDHN Cc1c2ccccc2n(C)c1CNCc1ccc(C(N)=O)nc1 ZINC001474066161 1060809392 /nfs/dbraw/zinc/80/93/92/1060809392.db2.gz ZUIASQUVPBJRRT-UHFFFAOYSA-N 0 3 308.385 2.270 20 10 DECDHN Cc1ccc(O)c(CNC(=O)c2cc3c(s2)CNCC3)c1 ZINC001579723379 1067411280 /nfs/dbraw/zinc/41/12/80/1067411280.db2.gz LJVZRQGHZKSOMK-UHFFFAOYSA-N 0 3 302.399 2.338 20 10 DECDHN [NH3+]Cc1ccc2c(c1)CCCN2Cc1ccc(-c2nnn[n-]2)cc1 ZINC001592747643 1076957899 /nfs/dbraw/zinc/95/78/99/1076957899.db2.gz XDJQAJGGPORRBT-UHFFFAOYSA-N 0 3 320.400 2.278 20 10 DECDHN [NH3+]Cc1ccc2c(c1)CCCN2Cc1ccc(-c2nn[n-]n2)cc1 ZINC001592747643 1076957903 /nfs/dbraw/zinc/95/79/03/1076957903.db2.gz XDJQAJGGPORRBT-UHFFFAOYSA-N 0 3 320.400 2.278 20 10 DECDHN Cc1c2ccccc2n(C)c1CN[C@H]1CS(=O)(=O)C[C@H]1C ZINC001658632745 1080212976 /nfs/dbraw/zinc/21/29/76/1080212976.db2.gz IZEOMMFJOXYHCB-RISCZKNCSA-N 0 3 306.431 2.009 20 10 DECDHN CN(C)c1ccc(CN2CC3(C[C@H]3C(N)=O)C2)c2ccccc21 ZINC001277174026 1083828316 /nfs/dbraw/zinc/82/83/16/1083828316.db2.gz RMCNURKHUPPFRU-INIZCTEOSA-N 0 3 309.413 2.213 20 10 DECDHN O=C([C@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2)N1CC=CC1 ZINC001277445381 1083974465 /nfs/dbraw/zinc/97/44/65/1083974465.db2.gz DOVVAASWRHDFLF-MRXNPFEDSA-N 0 3 312.413 2.393 20 10 DECDHN CCN1CCN(c2ccc(OC[C@H]3COC(C)(C)O3)cc2)CC1 ZINC001234658023 1084190026 /nfs/dbraw/zinc/19/00/26/1084190026.db2.gz QYKXSNYSSDHGTM-KRWDZBQOSA-N 0 3 320.433 2.359 20 10 DECDHN Cc1cc([O-])c(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br ZINC001235391306 1084416729 /nfs/dbraw/zinc/41/67/29/1084416729.db2.gz BDQKQVJBGONJOD-TXEJJXNPSA-N 0 3 311.223 2.399 20 10 DECDHN CCN(CC)c1ccc(CN2C[C@@H]3COC[C@H](C2)N3C)cc1 ZINC001275833802 1092197519 /nfs/dbraw/zinc/19/75/19/1092197519.db2.gz RDJOGQBYOKNVHJ-HDICACEKSA-N 0 3 303.450 2.048 20 10 DECDHN CCc1ccc(C[NH+]2CCC3(CC2)N=C(C)N(C)C3=O)c([O-])c1 ZINC001236789343 1138428772 /nfs/dbraw/zinc/42/87/72/1138428772.db2.gz VMLVJEGXAFDTNI-UHFFFAOYSA-N 0 3 315.417 2.180 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3C)C2)c([O-])c1 ZINC001236812538 1138436252 /nfs/dbraw/zinc/43/62/52/1138436252.db2.gz BDMRQULHHVEIIZ-CJNGLKHVSA-N 0 3 318.417 2.152 20 10 DECDHN COc1cc(C)c(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3C)C2)c([O-])c1 ZINC001236812538 1138436256 /nfs/dbraw/zinc/43/62/56/1138436256.db2.gz BDMRQULHHVEIIZ-CJNGLKHVSA-N 0 3 318.417 2.152 20 10 DECDHN COc1cc(C)c(CN2CCOC3(CCOCC3)C2)c(O)c1 ZINC001236821754 1138439664 /nfs/dbraw/zinc/43/96/64/1138439664.db2.gz TZNRFLXKLSBZBA-UHFFFAOYSA-N 0 3 307.390 2.091 20 10 DECDHN C[N@H+](CCN1CCOCC1)Cc1cc2ccccc2cc1[O-] ZINC001236827929 1138440744 /nfs/dbraw/zinc/44/07/44/1138440744.db2.gz WZRPQEHSKQYNGG-UHFFFAOYSA-N 0 3 300.402 2.309 20 10 DECDHN C[N@@H+](CCN1CCOCC1)Cc1cc2ccccc2cc1[O-] ZINC001236827929 1138440747 /nfs/dbraw/zinc/44/07/47/1138440747.db2.gz WZRPQEHSKQYNGG-UHFFFAOYSA-N 0 3 300.402 2.309 20 10 DECDHN C[C@@]1(O)CCN(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236921385 1138457165 /nfs/dbraw/zinc/45/71/65/1138457165.db2.gz FFMSMNYAQWGFIU-MRXNPFEDSA-N 0 3 310.825 2.133 20 10 DECDHN CCOc1ccc(C[N@H+](C)[C@H]2CCCN(C(C)=O)C2)c([O-])c1 ZINC001237047195 1138488380 /nfs/dbraw/zinc/48/83/80/1138488380.db2.gz UYRHVBSUSSBUQX-HNNXBMFYSA-N 0 3 306.406 2.234 20 10 DECDHN CCOc1ccc(C[N@@H+](C)[C@H]2CCCN(C(C)=O)C2)c([O-])c1 ZINC001237047195 1138488382 /nfs/dbraw/zinc/48/83/82/1138488382.db2.gz UYRHVBSUSSBUQX-HNNXBMFYSA-N 0 3 306.406 2.234 20 10 DECDHN C[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C[C@@H]1O ZINC001237053023 1138490707 /nfs/dbraw/zinc/49/07/07/1138490707.db2.gz GXJYCKAECJBDEM-ZANVPECISA-N 0 3 305.296 2.146 20 10 DECDHN C[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C[C@@H]1O ZINC001237053023 1138490711 /nfs/dbraw/zinc/49/07/11/1138490711.db2.gz GXJYCKAECJBDEM-ZANVPECISA-N 0 3 305.296 2.146 20 10 DECDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CCOC[C@@H](O)C1 ZINC001237641097 1138730173 /nfs/dbraw/zinc/73/01/73/1138730173.db2.gz LWYZHBNLKOCOJI-KRWDZBQOSA-N 0 3 317.360 2.391 20 10 DECDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CCOC[C@@H](O)C1 ZINC001237641097 1138730176 /nfs/dbraw/zinc/73/01/76/1138730176.db2.gz LWYZHBNLKOCOJI-KRWDZBQOSA-N 0 3 317.360 2.391 20 10 DECDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H]2C(C)(C)OC)c([O-])c1 ZINC001249201109 1141858953 /nfs/dbraw/zinc/85/89/53/1141858953.db2.gz GAQISEFPFYZLKH-MRXNPFEDSA-N 0 3 321.417 2.497 20 10 DECDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@@H]2C(C)(C)OC)c([O-])c1 ZINC001249201109 1141858954 /nfs/dbraw/zinc/85/89/54/1141858954.db2.gz GAQISEFPFYZLKH-MRXNPFEDSA-N 0 3 321.417 2.497 20 10 DECDHN COC(=O)Cc1ccc(C[N@H+](C)Cc2ccccc2O)c([O-])c1 ZINC001249213890 1141859756 /nfs/dbraw/zinc/85/97/56/1141859756.db2.gz BCYDOMRZMXFCEW-UHFFFAOYSA-N 0 3 315.369 2.445 20 10 DECDHN COC(=O)Cc1ccc(C[N@@H+](C)Cc2ccccc2O)c([O-])c1 ZINC001249213890 1141859757 /nfs/dbraw/zinc/85/97/57/1141859757.db2.gz BCYDOMRZMXFCEW-UHFFFAOYSA-N 0 3 315.369 2.445 20 10 DECDHN CN1CCN(c2ccc(CNCc3ccco3)cc2F)CC1 ZINC001338750567 1142875782 /nfs/dbraw/zinc/87/57/82/1142875782.db2.gz FZLSLCZRTWNZPI-UHFFFAOYSA-N 0 3 303.381 2.460 20 10 DECDHN CN(Cc1ccccc1O)C(=O)c1ccc2c(c1)OCCNC2 ZINC001339840264 1143127194 /nfs/dbraw/zinc/12/71/94/1143127194.db2.gz YIIBVIITECZYMQ-UHFFFAOYSA-N 0 3 312.369 2.146 20 10 DECDHN O=C(NCc1c([O-])cccc1F)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC001341125891 1143545803 /nfs/dbraw/zinc/54/58/03/1143545803.db2.gz ZBLRNKOTJWNVAQ-UGFHNGPFSA-N 0 3 306.381 2.458 20 10 DECDHN COC1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001261256132 1144228350 /nfs/dbraw/zinc/22/83/50/1144228350.db2.gz WZADVZOJZIMXMJ-UHFFFAOYSA-N 0 3 321.440 2.188 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c([O-])c1 ZINC001308577719 1147481039 /nfs/dbraw/zinc/48/10/39/1147481039.db2.gz JMAOIPHWRNZIST-OAHLLOKOSA-N 0 3 320.433 2.006 20 10 DECDHN COc1cc(C)c(C[N@H+]2CCC[C@@H]2CN2CCOCC2)c([O-])c1 ZINC001308577719 1147481041 /nfs/dbraw/zinc/48/10/41/1147481041.db2.gz JMAOIPHWRNZIST-OAHLLOKOSA-N 0 3 320.433 2.006 20 10 DECDHN CN(C)c1ccc(CNC(=O)[C@@H](N)C2CCCCC2)cc1F ZINC001326371405 1148087021 /nfs/dbraw/zinc/08/70/21/1148087021.db2.gz RDAYOHIKHDSBBP-INIZCTEOSA-N 0 3 307.413 2.416 20 10 DECDHN CCOC(=O)N1CCC([NH2+]Cc2cc(OC)ccc2[O-])CC1 ZINC000079122242 185159640 /nfs/dbraw/zinc/15/96/40/185159640.db2.gz DFYSQEZAYXDCPJ-UHFFFAOYSA-N 0 3 308.378 2.111 20 10 DECDHN CN1CCC(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000073132580 191281008 /nfs/dbraw/zinc/28/10/08/191281008.db2.gz IVPAAEXCHDYOJO-UHFFFAOYSA-N 0 3 301.434 2.027 20 10 DECDHN COc1cccc(CNC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)c1O ZINC000105650462 194117941 /nfs/dbraw/zinc/11/79/41/194117941.db2.gz RTSKKEHBDINXOA-AVGNSLFASA-N 0 3 306.406 2.278 20 10 DECDHN CC(C)[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)N(C)C ZINC000106434881 194212799 /nfs/dbraw/zinc/21/27/99/194212799.db2.gz LZLVXAFUVGXWGQ-KRWDZBQOSA-N 0 3 303.450 2.271 20 10 DECDHN COCC[C@@H](CO)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000281197344 285134463 /nfs/dbraw/zinc/13/44/63/285134463.db2.gz IVDZKEDODIOLFL-LBPRGKRZSA-N 0 3 320.355 2.258 20 10 DECDHN COc1cc([O-])c(C[NH+]2CCC(CCCO)CC2)cc1OC ZINC000272819453 130065922 /nfs/dbraw/zinc/06/59/22/130065922.db2.gz CANPAGZBFQEZFX-UHFFFAOYSA-N 0 3 309.406 2.394 20 10 DECDHN C[C@@H](NC[C@H]1CCCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000284181587 131057220 /nfs/dbraw/zinc/05/72/20/131057220.db2.gz RGYJYSZPPWVRBV-ZIAGYGMSSA-N 0 3 310.463 2.228 20 10 DECDHN CCOCc1cc(CNCCN2CCCOCC2)ccc1OC ZINC000289373330 131379337 /nfs/dbraw/zinc/37/93/37/131379337.db2.gz BLEMDYJGIKGUNM-UHFFFAOYSA-N 0 3 322.449 2.044 20 10 DECDHN Cc1cc(CN2CCN(C[C@H]3CCOC3)CC2)ccc1N(C)C ZINC000292763164 131674682 /nfs/dbraw/zinc/67/46/82/131674682.db2.gz JALCBJNDBKYHNB-GOSISDBHSA-N 0 3 317.477 2.215 20 10 DECDHN C[C@@H](NC[C@@H]1CCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000020551024 401824170 /nfs/dbraw/zinc/82/41/70/401824170.db2.gz KDBVEZHTCSOXNT-HIFRSBDPSA-N 0 3 308.397 2.492 20 10 DECDHN COc1cc([O-])c(C[NH2+][C@H](CO)Cc2ccccc2)cc1OC ZINC000119539117 401957225 /nfs/dbraw/zinc/95/72/25/401957225.db2.gz CJMPYZSRYXJELN-HNNXBMFYSA-N 0 3 317.385 2.103 20 10 DECDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COCc1ccccc1 ZINC000121149568 402017486 /nfs/dbraw/zinc/01/74/86/402017486.db2.gz JKDNCQXYDHSXIV-QGZVFWFLSA-N 0 3 301.386 2.402 20 10 DECDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)COCc1ccccc1 ZINC000121149568 402017490 /nfs/dbraw/zinc/01/74/90/402017490.db2.gz JKDNCQXYDHSXIV-QGZVFWFLSA-N 0 3 301.386 2.402 20 10 DECDHN COc1cccc(CN2CC[C@H](Oc3cccnc3)C2)c1O ZINC000093691452 402019747 /nfs/dbraw/zinc/01/97/47/402019747.db2.gz CNTZYHHAMGOGJT-HNNXBMFYSA-N 0 3 300.358 2.449 20 10 DECDHN CCCOc1ccc(C[N@@H+]2CCC[C@H](CC(N)=O)C2)c([O-])c1 ZINC000093809080 402020458 /nfs/dbraw/zinc/02/04/58/402020458.db2.gz YWPACJHUQYYECA-CYBMUJFWSA-N 0 3 306.406 2.268 20 10 DECDHN CCCOc1ccc(C[N@H+]2CCC[C@H](CC(N)=O)C2)c([O-])c1 ZINC000093809080 402020459 /nfs/dbraw/zinc/02/04/59/402020459.db2.gz YWPACJHUQYYECA-CYBMUJFWSA-N 0 3 306.406 2.268 20 10 DECDHN [O-]c1ccccc1C[N@H+](CCn1ccnc1)C[C@H]1CCCO1 ZINC000123510491 402131458 /nfs/dbraw/zinc/13/14/58/402131458.db2.gz DWNUEXNLURBWFZ-MRXNPFEDSA-N 0 3 301.390 2.270 20 10 DECDHN [O-]c1ccccc1C[N@@H+](CCn1ccnc1)C[C@H]1CCCO1 ZINC000123510491 402131461 /nfs/dbraw/zinc/13/14/61/402131461.db2.gz DWNUEXNLURBWFZ-MRXNPFEDSA-N 0 3 301.390 2.270 20 10 DECDHN COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(C)ccc1[O-])CC2 ZINC000186102706 402402001 /nfs/dbraw/zinc/40/20/01/402402001.db2.gz BTMBHQWRPLYINW-STQMWFEESA-N 0 3 316.405 2.104 20 10 DECDHN CCCNC(=O)C1CC[NH+](Cc2cc(OC)ccc2[O-])CC1 ZINC000179662686 402597762 /nfs/dbraw/zinc/59/77/62/402597762.db2.gz VDKKMXVPUUDUPF-UHFFFAOYSA-N 0 3 306.406 2.139 20 10 DECDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H](c3nc(C)no3)C2)c1 ZINC000179755725 402599773 /nfs/dbraw/zinc/59/97/73/402599773.db2.gz YNMASQIROPXHKJ-LBPRGKRZSA-N 0 3 303.362 2.472 20 10 DECDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H](c3nc(C)no3)C2)c1 ZINC000179755725 402599775 /nfs/dbraw/zinc/59/97/75/402599775.db2.gz YNMASQIROPXHKJ-LBPRGKRZSA-N 0 3 303.362 2.472 20 10 DECDHN COc1ccc(O)c(CN2CC[C@H](Oc3cccnc3)C2)c1 ZINC000180484232 402617872 /nfs/dbraw/zinc/61/78/72/402617872.db2.gz WYERDWIEAJWANG-INIZCTEOSA-N 0 3 300.358 2.449 20 10 DECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c1 ZINC000180484232 402617876 /nfs/dbraw/zinc/61/78/76/402617876.db2.gz WYERDWIEAJWANG-INIZCTEOSA-N 0 3 300.358 2.449 20 10 DECDHN COc1ccc([O-])c(C[N@H+]2CC[C@H](Oc3cccnc3)C2)c1 ZINC000180484232 402617879 /nfs/dbraw/zinc/61/78/79/402617879.db2.gz WYERDWIEAJWANG-INIZCTEOSA-N 0 3 300.358 2.449 20 10 DECDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)cc1C ZINC000172935115 402680236 /nfs/dbraw/zinc/68/02/36/402680236.db2.gz QHYATQJLSSRVIF-INIZCTEOSA-N 0 3 304.434 2.163 20 10 DECDHN Cc1cc([O-])c(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)cc1C ZINC000172935115 402680239 /nfs/dbraw/zinc/68/02/39/402680239.db2.gz QHYATQJLSSRVIF-INIZCTEOSA-N 0 3 304.434 2.163 20 10 DECDHN COCCC(=O)N1CCC([NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000183620960 402782579 /nfs/dbraw/zinc/78/25/79/402782579.db2.gz PUHWADRYFJCZCL-ZDUSSCGKSA-N 0 3 306.406 2.070 20 10 DECDHN OC1CCN(c2ccc(CNCc3cc[nH]c3)cc2F)CC1 ZINC000175700893 402825502 /nfs/dbraw/zinc/82/55/02/402825502.db2.gz MWGUUTZIBPQTAJ-UHFFFAOYSA-N 0 3 303.381 2.405 20 10 DECDHN C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1cc(F)ccc1[O-] ZINC000280941125 403052237 /nfs/dbraw/zinc/05/22/37/403052237.db2.gz ISPMBBQPJVUVPR-SNVBAGLBSA-N 0 3 301.383 2.149 20 10 DECDHN C[C@H](NCC1(S(C)(=O)=O)CCC1)c1ccc(N(C)C)cc1 ZINC000281205315 403060762 /nfs/dbraw/zinc/06/07/62/403060762.db2.gz SGYQKQFADMJYIZ-ZDUSSCGKSA-N 0 3 310.463 2.371 20 10 DECDHN CC(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000269045966 403123045 /nfs/dbraw/zinc/12/30/45/403123045.db2.gz NJAOOIDBOZTFLQ-DLBZAZTESA-N 0 3 323.433 2.159 20 10 DECDHN CC(C)OC[C@@H](O)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000269045966 403123046 /nfs/dbraw/zinc/12/30/46/403123046.db2.gz NJAOOIDBOZTFLQ-DLBZAZTESA-N 0 3 323.433 2.159 20 10 DECDHN C[C@@H](c1ccccc1)[C@@H](NCc1ccc(N(C)C)cc1)C(N)=O ZINC000292270979 403340363 /nfs/dbraw/zinc/34/03/63/403340363.db2.gz SFWURZRNXRSEEQ-KBXCAEBGSA-N 0 3 311.429 2.500 20 10 DECDHN C[C@@H](c1ccccc1)[C@H](NCc1ccc(N(C)C)cc1)C(N)=O ZINC000292270988 403340456 /nfs/dbraw/zinc/34/04/56/403340456.db2.gz SFWURZRNXRSEEQ-KSSFIOAISA-N 0 3 311.429 2.500 20 10 DECDHN C[C@H]1[C@@H](NCc2ccc(N3CCCCC3)cc2)CCS1(=O)=O ZINC000293519527 403493273 /nfs/dbraw/zinc/49/32/73/403493273.db2.gz ATXBZLHOCYRDOQ-YOEHRIQHSA-N 0 3 322.474 2.342 20 10 DECDHN COc1c([O-])c(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)ccc1[N+](=O)[O-] ZINC000295091699 403756825 /nfs/dbraw/zinc/75/68/25/403756825.db2.gz TYAMJBOAUDEKCH-YHWZYXNKSA-N 0 3 321.377 2.024 20 10 DECDHN COc1c([O-])c(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000295091699 403756828 /nfs/dbraw/zinc/75/68/28/403756828.db2.gz TYAMJBOAUDEKCH-YHWZYXNKSA-N 0 3 321.377 2.024 20 10 DECDHN COc1c([O-])c(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000295091699 403756832 /nfs/dbraw/zinc/75/68/32/403756832.db2.gz TYAMJBOAUDEKCH-YHWZYXNKSA-N 0 3 321.377 2.024 20 10 DECDHN CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+]Cc1ccccc1[O-] ZINC000295106762 403762452 /nfs/dbraw/zinc/76/24/52/403762452.db2.gz LBQAXLGUALALOZ-NHAGDIPZSA-N 0 3 304.390 2.347 20 10 DECDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CCCN(C)CC1 ZINC000350058409 404308402 /nfs/dbraw/zinc/30/84/02/404308402.db2.gz DZGYBGNXXOCOJI-UHFFFAOYSA-N 0 3 314.433 2.334 20 10 DECDHN CON(C)C(=O)C1CC[NH+](Cc2cc(C)c(C)cc2[O-])CC1 ZINC000291020728 404371474 /nfs/dbraw/zinc/37/14/74/404371474.db2.gz DIYWXOMBBHJHNB-UHFFFAOYSA-N 0 3 306.406 2.241 20 10 DECDHN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1CCCN1C ZINC000471737291 406113466 /nfs/dbraw/zinc/11/34/66/406113466.db2.gz PATBLNPASSIVRA-CQSZACIVSA-N 0 3 314.433 2.380 20 10 DECDHN C[NH+](C)C[C@](C)(O)CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000228726549 225208837 /nfs/dbraw/zinc/20/88/37/225208837.db2.gz OKADLWPXICXZBH-CYBMUJFWSA-N 0 3 307.221 2.101 20 10 DECDHN COc1cccc(C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1[O-] ZINC000227689187 225208931 /nfs/dbraw/zinc/20/89/31/225208931.db2.gz GYIQVQYGPSXRGK-NSHDSACASA-N 0 3 310.394 2.404 20 10 DECDHN C[C@H](N[C@@H]1COC[C@H]1O)c1ccc(N2CCCCC2)c(F)c1 ZINC000295853493 225313045 /nfs/dbraw/zinc/31/30/45/225313045.db2.gz DZCJOWDLHHUYLP-XGWLTEMNSA-N 0 3 308.397 2.226 20 10 DECDHN C[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(F)cc1[O-] ZINC000368330411 227008798 /nfs/dbraw/zinc/00/87/98/227008798.db2.gz VWPOXEJDURMZJQ-UKRRQHHQSA-N 0 3 321.440 2.350 20 10 DECDHN C[C@@H]1CC(=O)NCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000377887170 227204390 /nfs/dbraw/zinc/20/43/90/227204390.db2.gz DCILECXGYDMDLE-OAHLLOKOSA-N 0 3 301.434 2.387 20 10 DECDHN C[C@@H](N[C@H]1C[C@@H](O)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000834906856 649859013 /nfs/dbraw/zinc/85/90/13/649859013.db2.gz IGGQJXCEFIQOFO-BZPMIXESSA-N 0 3 310.825 2.351 20 10 DECDHN C[C@@H](CN1CCOCC1)N(C)Cc1ccc(N(C)C)c(F)c1 ZINC000279465144 278262996 /nfs/dbraw/zinc/26/29/96/278262996.db2.gz RNNAOVDLIMVRQC-AWEZNQCLSA-N 0 3 309.429 2.044 20 10 DECDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2COC3(CCOCC3)O2)c([O-])c1 ZINC000186375614 280978049 /nfs/dbraw/zinc/97/80/49/280978049.db2.gz PFVNZPFDYRRECQ-UONOGXRCSA-N 0 3 307.390 2.273 20 10 DECDHN CC1(C)[C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)[C@@H]2CCCO[C@@H]21 ZINC000360035891 337084187 /nfs/dbraw/zinc/08/41/87/337084187.db2.gz LJQXUCPSDRSAHV-XZJROXQQSA-N 0 3 305.374 2.414 20 10 DECDHN O=C(NCc1c([O-])cccc1F)[C@@H]1[NH2+]CC[C@H]2CCCC[C@H]21 ZINC001358167283 1152368024 /nfs/dbraw/zinc/36/80/24/1152368024.db2.gz GANJRFOQOAZVRW-XHBSWPGZSA-N 0 3 306.381 2.316 20 10 DECDHN CC(C)C(=O)NCCN(C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835030239 649869150 /nfs/dbraw/zinc/86/91/50/649869150.db2.gz VWPSRSABPHCLOS-VOTSOKGWSA-N 0 3 303.450 2.470 20 10 DECDHN CCOc1cccc(CN2CCN(C3CCOCC3)CC2)c1O ZINC000129755397 521340179 /nfs/dbraw/zinc/34/01/79/521340179.db2.gz BKEWFAFJLINTNX-UHFFFAOYSA-N 0 3 320.433 2.088 20 10 DECDHN CN(C)c1ccc(CNCCN2CCOC(C)(C)C2)cc1F ZINC000264990862 522210066 /nfs/dbraw/zinc/21/00/66/522210066.db2.gz XCPOAZDJGPVSCT-UHFFFAOYSA-N 0 3 309.429 2.092 20 10 DECDHN COc1ccc(O)c(CNC(C)(C)C(=O)NCC(C)(C)C)c1 ZINC000182658106 524748496 /nfs/dbraw/zinc/74/84/96/524748496.db2.gz AACGVXMIVQYQBM-UHFFFAOYSA-N 0 3 308.422 2.431 20 10 DECDHN C[C@@H](NCCOCC(F)F)c1ccc(N2CCOCC2)cc1 ZINC000189837795 525452755 /nfs/dbraw/zinc/45/27/55/525452755.db2.gz CTWJGINYKZNVDX-CYBMUJFWSA-N 0 3 314.376 2.456 20 10 DECDHN COc1cccc(CNC(=O)[C@@H](C)N2CCCCCC2)c1O ZINC000266463903 525994580 /nfs/dbraw/zinc/99/45/80/525994580.db2.gz RBFUMXIMMZJFMX-CYBMUJFWSA-N 0 3 306.406 2.282 20 10 DECDHN CCOc1cccc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c1[O-] ZINC000374272513 528656112 /nfs/dbraw/zinc/65/61/12/528656112.db2.gz QYMURUAGVNRRPQ-RHSMWYFYSA-N 0 3 307.390 2.219 20 10 DECDHN C[NH+](C)Cc1cccc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000188165090 625443091 /nfs/dbraw/zinc/44/30/91/625443091.db2.gz XAIRTGUAUWNTRH-UHFFFAOYSA-N 0 3 300.358 2.089 20 10 DECDHN Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCCS2(=O)=O)c1[O-] ZINC000776252527 625571842 /nfs/dbraw/zinc/57/18/42/625571842.db2.gz DLSZIFFIUFCICU-GFCCVEGCSA-N 0 3 303.811 2.021 20 10 DECDHN CCCNC(=O)[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000123647970 625585012 /nfs/dbraw/zinc/58/50/12/625585012.db2.gz RWGLRUAQDZOSJU-HUUCEWRRSA-N 0 3 319.449 2.089 20 10 DECDHN CCCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000123647623 625585047 /nfs/dbraw/zinc/58/50/47/625585047.db2.gz RWGLRUAQDZOSJU-LSDHHAIUSA-N 0 3 319.449 2.089 20 10 DECDHN CS[C@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251293 623797683 /nfs/dbraw/zinc/79/76/83/623797683.db2.gz BPZLMCUEXRWBPP-DOMZBBRYSA-N 0 3 309.479 2.223 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccn(C)c2)N(C)C)cc1 ZINC000891252689 623798237 /nfs/dbraw/zinc/79/82/37/623798237.db2.gz MKJWVEZMEDCRAK-QGZVFWFLSA-N 0 3 314.433 2.124 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)c2cccn2C)N(C)C)cc1 ZINC000891255659 623805348 /nfs/dbraw/zinc/80/53/48/623805348.db2.gz QWBDYWWZCGLATJ-KRWDZBQOSA-N 0 3 314.433 2.124 20 10 DECDHN COc1ccc(O)c([C@@H](C)NCC(=O)NCc2cccs2)c1 ZINC000182405745 625257331 /nfs/dbraw/zinc/25/73/31/625257331.db2.gz PANFBMYJSIMOEA-LLVKDONJSA-N 0 3 320.414 2.429 20 10 DECDHN CC1CC(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000893398500 633339984 /nfs/dbraw/zinc/33/99/84/633339984.db2.gz XZEIVALVPGAGJS-PGEKIEPBSA-N 0 3 318.465 2.453 20 10 DECDHN COc1cccc(CNCc2c3c(nn2C)CCSC3)c1O ZINC000894767277 637202765 /nfs/dbraw/zinc/20/27/65/637202765.db2.gz YXUWIOGIIQFOEW-UHFFFAOYSA-N 0 3 319.430 2.213 20 10 DECDHN Cc1ncoc1CNCc1ccc(N2CCN(C)CC2)cc1 ZINC000895608995 638109773 /nfs/dbraw/zinc/10/97/73/638109773.db2.gz WVUWZNCGAGBMSW-UHFFFAOYSA-N 0 3 300.406 2.025 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]CC[C@H]2CC(=O)N(C)C2)c1[O-] ZINC000896308727 638460293 /nfs/dbraw/zinc/46/02/93/638460293.db2.gz IGFVTAGPPHEWBW-JTQLQIEISA-N 0 3 312.797 2.012 20 10 DECDHN CCN1CCC[C@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])C1=O ZINC000896733321 638655679 /nfs/dbraw/zinc/65/56/79/638655679.db2.gz JOYDWETXWWRWDN-LBPRGKRZSA-N 0 3 312.797 2.155 20 10 DECDHN Cc1cc(Cl)cc(C[NH+]2CCC3(COC(=O)N3)CC2)c1[O-] ZINC000753587635 639317549 /nfs/dbraw/zinc/31/75/49/639317549.db2.gz PPVLVXIQVNNZSE-UHFFFAOYSA-N 0 3 310.781 2.428 20 10 DECDHN CN(C)C(=O)CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000788021097 639614536 /nfs/dbraw/zinc/61/45/36/639614536.db2.gz XQFPPQACGTUDHG-MRXNPFEDSA-N 0 3 320.433 2.242 20 10 DECDHN CN(C)C(=O)CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000788021097 639614537 /nfs/dbraw/zinc/61/45/37/639614537.db2.gz XQFPPQACGTUDHG-MRXNPFEDSA-N 0 3 320.433 2.242 20 10 DECDHN CCN(C)c1ccc(CN2CCC(NC(=O)NC)CC2)cc1 ZINC000839667783 639786725 /nfs/dbraw/zinc/78/67/25/639786725.db2.gz ZITBKYOCTOCPQF-UHFFFAOYSA-N 0 3 304.438 2.036 20 10 DECDHN COc1ccc(C[NH2+]CC2CCC3(CC2)OCCO3)c([O-])c1 ZINC000766224210 640861142 /nfs/dbraw/zinc/86/11/42/640861142.db2.gz MPMFIZPKBNVRDT-UHFFFAOYSA-N 0 3 307.390 2.424 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c([O-])c1 ZINC000769306372 641214127 /nfs/dbraw/zinc/21/41/27/641214127.db2.gz SNZWRJCOTVVNJN-AWEZNQCLSA-N 0 3 307.390 2.376 20 10 DECDHN CCOc1ccc(C[N@H+]2CCC[C@H](C3OCCO3)C2)c([O-])c1 ZINC000769306372 641214134 /nfs/dbraw/zinc/21/41/34/641214134.db2.gz SNZWRJCOTVVNJN-AWEZNQCLSA-N 0 3 307.390 2.376 20 10 DECDHN Cc1nc(CNC[C@H](c2ccc(N(C)C)cc2)N(C)C)[nH]c1C ZINC000898448474 641660673 /nfs/dbraw/zinc/66/06/73/641660673.db2.gz UENUMPQLCDIAMA-QGZVFWFLSA-N 0 3 315.465 2.485 20 10 DECDHN C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)C1=CCN(C)CC1 ZINC000781161746 642721843 /nfs/dbraw/zinc/72/18/43/642721843.db2.gz UGPMJLMNUDJXFM-CQSZACIVSA-N 0 3 316.449 2.202 20 10 DECDHN COc1cc(Br)cc(C[NH2+][C@H](C)C[C@@H](C)O)c1[O-] ZINC000782980752 642949791 /nfs/dbraw/zinc/94/97/91/642949791.db2.gz WWOJKKFBUBTOGR-RKDXNWHRSA-N 0 3 318.211 2.412 20 10 DECDHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CCCN1C ZINC000839919108 645299759 /nfs/dbraw/zinc/29/97/59/645299759.db2.gz PLPQADBRQVCCRB-YOEHRIQHSA-N 0 3 303.450 2.202 20 10 DECDHN CN(C)c1ccc(CNC(=O)NC[C@@H]2CCCCN2C)cc1F ZINC000912402254 646056680 /nfs/dbraw/zinc/05/66/80/646056680.db2.gz ZXAJUBFLNOLONK-AWEZNQCLSA-N 0 3 322.428 2.175 20 10 DECDHN COc1cccc(O)c1CN1CCCN(CC(F)F)CC1 ZINC000809757847 646278029 /nfs/dbraw/zinc/27/80/29/646278029.db2.gz UVIPXHLRPPPEMG-UHFFFAOYSA-N 0 3 300.349 2.174 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]C[C@H](CO)c2cccnc2)c1[O-] ZINC000809777992 646282607 /nfs/dbraw/zinc/28/26/07/646282607.db2.gz KRQBQXDJQDYZMZ-CYBMUJFWSA-N 0 3 322.792 2.315 20 10 DECDHN CCOC(=O)N[C@H]1CCCN(Cc2cc(C)cc(OC)c2O)C1 ZINC000164110406 646416729 /nfs/dbraw/zinc/41/67/29/646416729.db2.gz HVRDBQIFPGTAAU-AWEZNQCLSA-N 0 3 322.405 2.420 20 10 DECDHN COc1cccc(CN[C@H](CC(N)=O)c2ccccc2)c1O ZINC000815154763 646981020 /nfs/dbraw/zinc/98/10/20/646981020.db2.gz SDQFEYKLGDYYBY-CQSZACIVSA-N 0 3 300.358 2.107 20 10 DECDHN C[C@@H]1[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CCN1C ZINC000914180837 647207164 /nfs/dbraw/zinc/20/71/64/647207164.db2.gz XWLNGXIKJAKKJF-PBHICJAKSA-N 0 3 316.449 2.179 20 10 DECDHN C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1c([O-])cccc1F ZINC000914340599 647269445 /nfs/dbraw/zinc/26/94/45/647269445.db2.gz FPWXBVRKIKJCBY-CHWSQXEVSA-N 0 3 323.412 2.451 20 10 DECDHN C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCc1c([O-])cccc1F ZINC000914340599 647269446 /nfs/dbraw/zinc/26/94/46/647269446.db2.gz FPWXBVRKIKJCBY-CHWSQXEVSA-N 0 3 323.412 2.451 20 10 DECDHN C[C@@H]1CC[C@H](O)CN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000817414452 647289340 /nfs/dbraw/zinc/28/93/40/647289340.db2.gz KWJHPDMYXMEPMO-HIFRSBDPSA-N 0 3 308.397 2.008 20 10 DECDHN COc1ccc(N2CC[C@H](CN[C@@H]3CCn4ccnc43)C2)cc1 ZINC000818341816 647456684 /nfs/dbraw/zinc/45/66/84/647456684.db2.gz GZQDAVNZLHAMBJ-RHSMWYFYSA-N 0 3 312.417 2.453 20 10 DECDHN Cc1ccc2nc(CN(C)Cc3ccccc3O)cc(=O)n2c1 ZINC000731843597 647513051 /nfs/dbraw/zinc/51/30/51/647513051.db2.gz RUDGYXBSVKWOOD-UHFFFAOYSA-N 0 3 309.369 2.341 20 10 DECDHN O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cc([O-])cs1 ZINC000820092639 647781875 /nfs/dbraw/zinc/78/18/75/647781875.db2.gz JSRAZLPRXBQTFH-FOLVSLTJSA-N 0 3 314.410 2.314 20 10 DECDHN O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1cc([O-])cs1 ZINC000820092639 647781883 /nfs/dbraw/zinc/78/18/83/647781883.db2.gz JSRAZLPRXBQTFH-FOLVSLTJSA-N 0 3 314.410 2.314 20 10 DECDHN [O-]c1ccccc1C[N@H+](CCO[C@H]1CCOC1)C[C@H]1CCCO1 ZINC000929973113 647992199 /nfs/dbraw/zinc/99/21/99/647992199.db2.gz WFTGUOMFIFTYFG-SJORKVTESA-N 0 3 321.417 2.179 20 10 DECDHN [O-]c1ccccc1C[N@@H+](CCO[C@H]1CCOC1)C[C@H]1CCCO1 ZINC000929973113 647992201 /nfs/dbraw/zinc/99/22/01/647992201.db2.gz WFTGUOMFIFTYFG-SJORKVTESA-N 0 3 321.417 2.179 20 10 DECDHN O=C1CC[C@H](C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)O1 ZINC000821392510 648051841 /nfs/dbraw/zinc/05/18/41/648051841.db2.gz ZZHMPOGYCJRQEJ-HUUCEWRRSA-N 0 3 305.374 2.079 20 10 DECDHN O=C1CC[C@H](C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)O1 ZINC000821392510 648051846 /nfs/dbraw/zinc/05/18/46/648051846.db2.gz ZZHMPOGYCJRQEJ-HUUCEWRRSA-N 0 3 305.374 2.079 20 10 DECDHN Cc1cc(C(=O)N[C@@H]2CCCN(C)C2)c(C)n1-c1ccccn1 ZINC000918394412 648073851 /nfs/dbraw/zinc/07/38/51/648073851.db2.gz GYBLEAZGJBXYRN-OAHLLOKOSA-N 0 3 312.417 2.313 20 10 DECDHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CN(C)CC(C)(C)C ZINC000821807100 648112339 /nfs/dbraw/zinc/11/23/39/648112339.db2.gz MSBKZNMZQPMQEI-GFCCVEGCSA-N 0 3 308.422 2.123 20 10 DECDHN CCOc1ccc(CN2CCC[C@H](OC(=O)N(C)C)C2)c(O)c1 ZINC000824615883 648623919 /nfs/dbraw/zinc/62/39/19/648623919.db2.gz NYTKKWXBOQOVKK-HNNXBMFYSA-N 0 3 322.405 2.454 20 10 DECDHN Cn1nccc1[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])CCO1 ZINC000825045462 648691457 /nfs/dbraw/zinc/69/14/57/648691457.db2.gz FGEMYWXPZAFKGM-CJNGLKHVSA-N 0 3 305.353 2.275 20 10 DECDHN CCOCc1cc(CN[C@@H]2COC[C@H]2OCC)ccc1OC ZINC000825196943 648723838 /nfs/dbraw/zinc/72/38/38/648723838.db2.gz QKIFPVDIZDQMQV-NVXWUHKLSA-N 0 3 309.406 2.125 20 10 DECDHN Cc1cc(Cl)cc(CN2CC[C@@H](N3CCOC3=O)C2)c1O ZINC000827000033 648959449 /nfs/dbraw/zinc/95/94/49/648959449.db2.gz GRZPOUUNYRVZBH-CYBMUJFWSA-N 0 3 310.781 2.381 20 10 DECDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@@H](C)S(=O)(=O)C2)c1[O-] ZINC000827173297 648986632 /nfs/dbraw/zinc/98/66/32/648986632.db2.gz WEYVXRKNDQUYBM-ZWNOBZJWSA-N 0 3 317.838 2.409 20 10 DECDHN Cc1cc(N(C)C)ccc1CN1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000827544471 649048216 /nfs/dbraw/zinc/04/82/16/649048216.db2.gz BMAKIJANZPLKAY-QGZVFWFLSA-N 0 3 318.465 2.249 20 10 DECDHN N[C@@H](Cc1ccccc1)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597125 649465956 /nfs/dbraw/zinc/46/59/56/649465956.db2.gz AEUHTAWKCBTWII-SFHVURJKSA-N 0 3 324.424 2.457 20 10 DECDHN Cn1cc(N2CCC[C@@H]([NH2+][C@H]3CCc4cccc([O-])c43)C2)cn1 ZINC000834602026 649822435 /nfs/dbraw/zinc/82/24/35/649822435.db2.gz HMWDMOMTYMCKCB-ZBFHGGJFSA-N 0 3 312.417 2.372 20 10 DECDHN Cc1ccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c([O-])c1 ZINC000846664217 651343863 /nfs/dbraw/zinc/34/38/63/651343863.db2.gz XILPXEPYFVVSEH-INIZCTEOSA-N 0 3 313.401 2.196 20 10 DECDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)CO)c1[O-] ZINC000848523710 651467056 /nfs/dbraw/zinc/46/70/56/651467056.db2.gz LFGDYHCWBSHLDX-HTQZYQBOSA-N 0 3 304.184 2.195 20 10 DECDHN COc1cccc([O-])c1C[NH2+]Cc1ccc(CNC(C)=O)cc1 ZINC000850343167 651903893 /nfs/dbraw/zinc/90/38/93/651903893.db2.gz QNIBXYTVHPVOFJ-UHFFFAOYSA-N 0 3 314.385 2.327 20 10 DECDHN COc1ccc(N2CC[C@@H](NCc3cccc(OC)n3)C2)cc1 ZINC000850347165 651904729 /nfs/dbraw/zinc/90/47/29/651904729.db2.gz OZUWVPATMHMVSU-OAHLLOKOSA-N 0 3 313.401 2.467 20 10 DECDHN C[C@@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1cc(F)ccc1[O-] ZINC000850497943 651939640 /nfs/dbraw/zinc/93/96/40/651939640.db2.gz XHDAJWYSQCNHRP-SQFXPLBJSA-N 0 3 313.316 2.493 20 10 DECDHN C[C@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1CO ZINC000857061953 652044243 /nfs/dbraw/zinc/04/42/43/652044243.db2.gz XBYDQIITYPTOSJ-GOEBONIOSA-N 0 3 322.424 2.113 20 10 DECDHN C[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1C ZINC000122833669 684119607 /nfs/dbraw/zinc/11/96/07/684119607.db2.gz CWGCXEJXQUEGHD-GJZGRUSLSA-N 0 3 303.450 2.347 20 10 DECDHN Cc1noc([C@H]2OCC[C@H]2NCc2ccc(N(C)C)cc2C)n1 ZINC000862544561 686318337 /nfs/dbraw/zinc/31/83/37/686318337.db2.gz BMGUYEOYWVUDOB-CVEARBPZSA-N 0 3 316.405 2.372 20 10 DECDHN Cc1ccc(O)c(CNCc2n[nH]c(C3CCOCC3)n2)c1 ZINC000865687773 687302439 /nfs/dbraw/zinc/30/24/39/687302439.db2.gz VDLVGNSWFNLGRU-UHFFFAOYSA-N 0 3 302.378 2.003 20 10 DECDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000865781099 687332510 /nfs/dbraw/zinc/33/25/10/687332510.db2.gz VUAJWIVWBVQPHF-CYBMUJFWSA-N 0 3 307.390 2.076 20 10 DECDHN Cc1cccc([O-])c1C[NH+]1CCC([C@H](O)c2nccn2C)CC1 ZINC000876740858 689923213 /nfs/dbraw/zinc/92/32/13/689923213.db2.gz GLEBOMUVCSGTQH-KRWDZBQOSA-N 0 3 315.417 2.380 20 10 DECDHN Cc1cc(N2CCC([NH2+]Cc3c(C)cccc3[O-])CC2)n[nH]1 ZINC000877464236 690120442 /nfs/dbraw/zinc/12/04/42/690120442.db2.gz MVEUVARYQNKBCW-UHFFFAOYSA-N 0 3 300.406 2.491 20 10 DECDHN Cc1cccc(O)c1CN1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000877483989 690126914 /nfs/dbraw/zinc/12/69/14/690126914.db2.gz SJCNFIMUSFAAPK-OAHLLOKOSA-N 0 3 317.433 2.278 20 10 DECDHN Cc1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c([O-])c1 ZINC000877505790 690134251 /nfs/dbraw/zinc/13/42/51/690134251.db2.gz ZAFZIXAADAMBSV-NVXWUHKLSA-N 0 3 305.418 2.358 20 10 DECDHN CCOc1ccc(C[NH+]2CCC(CCO)(CCO)CC2)c([O-])c1 ZINC000877692298 690193205 /nfs/dbraw/zinc/19/32/05/690193205.db2.gz XULCAVIFHUDFHJ-UHFFFAOYSA-N 0 3 323.433 2.138 20 10 DECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)C2)O1 ZINC000886333388 692058832 /nfs/dbraw/zinc/05/88/32/692058832.db2.gz HXFLDUABJXCNLP-IGCXYCKISA-N 0 3 307.390 2.217 20 10 DECDHN CCN1CCC[C@H](NCc2ccc(N3CCCC3)cc2)C1=O ZINC001334232835 1150241073 /nfs/dbraw/zinc/24/10/73/1150241073.db2.gz LZAKQKRQJBORID-KRWDZBQOSA-N 0 3 301.434 2.387 20 10 DECDHN C[C@@H](CCNCc1cc(F)c(N(C)C)cc1F)[S@](C)=O ZINC001348090587 1151119248 /nfs/dbraw/zinc/11/92/48/1151119248.db2.gz ZOKKICZXPDZDEM-FVINQWEUSA-N 0 3 304.406 2.278 20 10 DECDHN COC(=O)c1cc(CNCc2ccc(N(C)C)cc2C)c[nH]1 ZINC001177805068 794756742 /nfs/dbraw/zinc/75/67/42/794756742.db2.gz YDECHXOQUPGTGW-UHFFFAOYSA-N 0 3 301.390 2.466 20 10 DECDHN NC(=O)c1ccc(CNCc2ccc(N3CCCCC3)cc2)cn1 ZINC001178148794 794842179 /nfs/dbraw/zinc/84/21/79/794842179.db2.gz STYWMBLZJCCAHI-UHFFFAOYSA-N 0 3 324.428 2.461 20 10 DECDHN COCn1ncc(C)c1CNCc1ccc2c(c1)CCCN2C ZINC001117697185 795098340 /nfs/dbraw/zinc/09/83/40/795098340.db2.gz XWOAHWFIWBVQPB-UHFFFAOYSA-N 0 3 314.433 2.468 20 10 DECDHN O=C([O-])CCCN1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC001119550623 795321866 /nfs/dbraw/zinc/32/18/66/795321866.db2.gz LAWPPCPKEODOAB-UHFFFAOYSA-N 0 3 318.417 2.040 20 10 DECDHN COc1ccc(N2CCN(Cc3ncccc3O)CC2)c(C)c1 ZINC001138395759 796214144 /nfs/dbraw/zinc/21/41/44/796214144.db2.gz CEGSMQVSTWISBW-UHFFFAOYSA-N 0 3 313.401 2.426 20 10 DECDHN CCN(CCC(=O)OC)Cc1ccc(N2CCOCC2)cc1F ZINC001140664534 796553570 /nfs/dbraw/zinc/55/35/70/796553570.db2.gz KNSVTIDYYAULFY-UHFFFAOYSA-N 0 3 324.396 2.047 20 10 DECDHN COc1cc([O-])c(C[NH+]2CCC3(CCOC3)CC2)c(OC)c1 ZINC001141032164 796622083 /nfs/dbraw/zinc/62/20/83/796622083.db2.gz UOAWZRFMPHOEDN-UHFFFAOYSA-N 0 3 307.390 2.412 20 10 DECDHN CO[C@@H]1CN(Cc2cc3c4c(c2)CCCN4CCC3)C[C@@H]1OC ZINC001141074207 796631832 /nfs/dbraw/zinc/63/18/32/796631832.db2.gz AZLZOAPJKLSHQU-HDICACEKSA-N 0 3 316.445 2.231 20 10 DECDHN Oc1ccc(O)c(CN2CCCC[C@](O)(C(F)(F)F)C2)c1 ZINC001141156457 796641900 /nfs/dbraw/zinc/64/19/00/796641900.db2.gz LAJZBBJINRESEM-CYBMUJFWSA-N 0 3 305.296 2.377 20 10 DECDHN CCN(CC)c1ccc(CN2CC[C@H](O)[C@@](C)(CO)C2)cc1 ZINC001203940786 798509309 /nfs/dbraw/zinc/50/93/09/798509309.db2.gz ZGQMJDYTIGMNDY-ZWKOTPCHSA-N 0 3 306.450 2.098 20 10 DECDHN Cc1cccc(CNC(=S)NCCN2CCCCC2)c1O ZINC001200446201 798630197 /nfs/dbraw/zinc/63/01/97/798630197.db2.gz KLMCCEWWRCHQBL-UHFFFAOYSA-N 0 3 307.463 2.151 20 10 DECDHN CC(C)C(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3[O-])CC[C@H]21 ZINC001203552256 800079674 /nfs/dbraw/zinc/07/96/74/800079674.db2.gz GTORJVNGHXXZMC-GDBMZVCRSA-N 0 3 302.418 2.471 20 10 DECDHN CC(C)C(=O)N1CC[C@@H]2C[N@@H+](Cc3ccccc3[O-])CC[C@H]21 ZINC001203552256 800079688 /nfs/dbraw/zinc/07/96/88/800079688.db2.gz GTORJVNGHXXZMC-GDBMZVCRSA-N 0 3 302.418 2.471 20 10 DECDHN COc1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3[O-])C2)nc1 ZINC001203561796 800081391 /nfs/dbraw/zinc/08/13/91/800081391.db2.gz ZQMLHOSXGKMRBO-OAHLLOKOSA-N 0 3 300.358 2.449 20 10 DECDHN COc1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3[O-])C2)nc1 ZINC001203561796 800081400 /nfs/dbraw/zinc/08/14/00/800081400.db2.gz ZQMLHOSXGKMRBO-OAHLLOKOSA-N 0 3 300.358 2.449 20 10 DECDHN COc1cccc(C[N@H+](C(C)C)[C@H]2CCN(C(C)=O)C2)c1[O-] ZINC001203600191 800087849 /nfs/dbraw/zinc/08/78/49/800087849.db2.gz WLJDVBJFOXWZSZ-HNNXBMFYSA-N 0 3 306.406 2.232 20 10 DECDHN COc1cccc(C[N@@H+](C(C)C)[C@H]2CCN(C(C)=O)C2)c1[O-] ZINC001203600191 800087853 /nfs/dbraw/zinc/08/78/53/800087853.db2.gz WLJDVBJFOXWZSZ-HNNXBMFYSA-N 0 3 306.406 2.232 20 10 DECDHN COc1ccc(C[N@@H+]2CCC[C@H](Oc3ncccn3)C2)c([O-])c1 ZINC001203635494 800097367 /nfs/dbraw/zinc/09/73/67/800097367.db2.gz YGSGCOBBXSQUGS-HNNXBMFYSA-N 0 3 315.373 2.234 20 10 DECDHN COc1ccc(C[N@H+]2CCC[C@H](Oc3ncccn3)C2)c([O-])c1 ZINC001203635494 800097373 /nfs/dbraw/zinc/09/73/73/800097373.db2.gz YGSGCOBBXSQUGS-HNNXBMFYSA-N 0 3 315.373 2.234 20 10 DECDHN [NH3+][C@@H]1C[C@H](F)CN(Cc2cc(Br)ccc2[O-])C1 ZINC001206405160 800526310 /nfs/dbraw/zinc/52/63/10/800526310.db2.gz OUTNBRDYPAHBSA-WDEREUQCSA-N 0 3 303.175 2.026 20 10 DECDHN Cc1cc(N2CCN(Cc3cccc(C)c3O)CC2)nc(C)n1 ZINC001231592526 801692594 /nfs/dbraw/zinc/69/25/94/801692594.db2.gz NWNONJQTMYCDQZ-UHFFFAOYSA-N 0 3 312.417 2.430 20 10 DECDHN COC(=O)[C@@H]1C[C@@H](C)CN(Cc2ccc(N(C)C)cc2OC)C1 ZINC001231854021 801737399 /nfs/dbraw/zinc/73/73/99/801737399.db2.gz VXFGHKSOZCAYTL-UKRRQHHQSA-N 0 3 320.433 2.392 20 10 DECDHN CCCNC(=O)[C@H]1CCCCN1Cc1ccc(N(C)C)cc1O ZINC001232838436 801969924 /nfs/dbraw/zinc/96/99/24/801969924.db2.gz FKJWOOYDTZWASF-MRXNPFEDSA-N 0 3 319.449 2.339 20 10 DECDHN COc1ccc(N2CCN(Cc3cc(C)c[nH]c3=O)CC2)cc1 ZINC001233189521 802042949 /nfs/dbraw/zinc/04/29/49/802042949.db2.gz VOKNFZYHXBGPMI-UHFFFAOYSA-N 0 3 313.401 2.426 20 10 DECDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@]3(CCNC3=O)C2)c1[O-] ZINC001233288420 802064025 /nfs/dbraw/zinc/06/40/25/802064025.db2.gz KJPUVNAFLMIOCG-INIZCTEOSA-N 0 3 324.808 2.156 20 10 DECDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@]3(CCNC3=O)C2)c1[O-] ZINC001233288420 802064034 /nfs/dbraw/zinc/06/40/34/802064034.db2.gz KJPUVNAFLMIOCG-INIZCTEOSA-N 0 3 324.808 2.156 20 10 DECDHN C[C@@H](Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O)C1C[NH2+]C1 ZINC001218195513 802154331 /nfs/dbraw/zinc/15/43/31/802154331.db2.gz PWVLIZMTYUOBEU-SNVBAGLBSA-N 0 3 323.348 2.154 20 10 DECDHN O=C1c2cccc(O[C@H]3C=CC[NH2+]C3)c2C(=O)c2cccc([O-])c21 ZINC001218332065 802168776 /nfs/dbraw/zinc/16/87/76/802168776.db2.gz BPSNEWSNHMKRDE-NSHDSACASA-N 0 3 321.332 2.074 20 10 DECDHN CN(C)c1ccc(CNC(=O)CN(C)CC(C)(C)C)cc1F ZINC001464552153 1059156734 /nfs/dbraw/zinc/15/67/34/1059156734.db2.gz ZQWNHKQQJOWABY-UHFFFAOYSA-N 0 3 309.429 2.486 20 10 DECDHN CCCN(Cc1cc(C(C)C)ccc1O)[C@@H]1CC(=O)N(C)C1=O ZINC001621278981 1078172228 /nfs/dbraw/zinc/17/22/28/1078172228.db2.gz IRQGZQNJJHXAAH-OAHLLOKOSA-N 0 3 318.417 2.485 20 10 DECDHN Cc1noc([C@@H]2OCC[C@@H]2NCc2ccc(N(C)C)cc2C)n1 ZINC001652917220 1079905074 /nfs/dbraw/zinc/90/50/74/1079905074.db2.gz BMGUYEOYWVUDOB-JKSUJKDBSA-N 0 3 316.405 2.372 20 10 DECDHN CCOC(=O)N1CCCN(Cc2c(C)cc(OC)cc2O)CC1 ZINC001659090760 1080230502 /nfs/dbraw/zinc/23/05/02/1080230502.db2.gz COIQIPCEMQAZDC-UHFFFAOYSA-N 0 3 322.405 2.373 20 10 DECDHN COc1cc(C)c(C[NH2+]C[C@H]2CCCN(C(C)=O)C2)c([O-])c1 ZINC001659655501 1080246154 /nfs/dbraw/zinc/24/61/54/1080246154.db2.gz YEONHEYDMRCSRK-CQSZACIVSA-N 0 3 306.406 2.057 20 10 DECDHN C[N@@H+]1CCCC2(CCN(C(=O)c3cccc(O)c3[O-])CC2)C1 ZINC001269607709 1081306550 /nfs/dbraw/zinc/30/65/50/1081306550.db2.gz HGBMVMBKIZMNPE-UHFFFAOYSA-N 0 3 304.390 2.046 20 10 DECDHN C[N@H+]1CCCC2(CCN(C(=O)c3cccc(O)c3[O-])CC2)C1 ZINC001269607709 1081306558 /nfs/dbraw/zinc/30/65/58/1081306558.db2.gz HGBMVMBKIZMNPE-UHFFFAOYSA-N 0 3 304.390 2.046 20 10 DECDHN CN(C)c1ccc(CN2CC[C@@H]3C[C@@]32C(N)=O)c2ccccc21 ZINC001277173633 1083828897 /nfs/dbraw/zinc/82/88/97/1083828897.db2.gz FCLCQBAZHALZDW-KUHUBIRLSA-N 0 3 309.413 2.356 20 10 DECDHN CN1CC[C@]2(CCCN2Cc2ccc3c(c2)CCCN3C)C1=O ZINC001273321101 1091036743 /nfs/dbraw/zinc/03/67/43/1091036743.db2.gz NWWIKXZRXMVESX-LJQANCHMSA-N 0 3 313.445 2.266 20 10 DECDHN CCc1ccc(C[NH+]2CCC(N3CCOCC3)CC2)c([O-])c1 ZINC001236783150 1138425146 /nfs/dbraw/zinc/42/51/46/1138425146.db2.gz IITYPNQBKMBNQJ-UHFFFAOYSA-N 0 3 304.434 2.251 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CCc3nccn3CC2)c(Cl)c1 ZINC001236807772 1138434833 /nfs/dbraw/zinc/43/48/33/1138434833.db2.gz JEWXCNRZYTXLIC-UHFFFAOYSA-N 0 3 307.781 2.309 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CCc3nccn3CC2)c(Cl)c1 ZINC001236807772 1138434840 /nfs/dbraw/zinc/43/48/40/1138434840.db2.gz JEWXCNRZYTXLIC-UHFFFAOYSA-N 0 3 307.781 2.309 20 10 DECDHN COc1cc(C)c(C[N@H+](C)[C@H]2CCCN(C(C)=O)C2)c([O-])c1 ZINC001236822132 1138439838 /nfs/dbraw/zinc/43/98/38/1138439838.db2.gz YBIIULQZNHTIMD-AWEZNQCLSA-N 0 3 306.406 2.152 20 10 DECDHN COc1cc(C)c(C[N@@H+](C)[C@H]2CCCN(C(C)=O)C2)c([O-])c1 ZINC001236822132 1138439844 /nfs/dbraw/zinc/43/98/44/1138439844.db2.gz YBIIULQZNHTIMD-AWEZNQCLSA-N 0 3 306.406 2.152 20 10 DECDHN CCOc1ccc(C[NH+]2CCC3(CCC(=O)O3)CC2)c([O-])c1 ZINC001237045098 1138488147 /nfs/dbraw/zinc/48/81/47/1138488147.db2.gz WZSMNTKVMJOTHQ-UHFFFAOYSA-N 0 3 305.374 2.463 20 10 DECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H]2CN(CC3CC3)C(=O)[C@H]2C1 ZINC001237484830 1138652171 /nfs/dbraw/zinc/65/21/71/1138652171.db2.gz AZRCOQBDSSVNAH-HOCLYGCPSA-N 0 3 300.402 2.001 20 10 DECDHN Cc1cccc([O-])c1C[N@H+]1C[C@H]2CN(CC3CC3)C(=O)[C@H]2C1 ZINC001237484830 1138652181 /nfs/dbraw/zinc/65/21/81/1138652181.db2.gz AZRCOQBDSSVNAH-HOCLYGCPSA-N 0 3 300.402 2.001 20 10 DECDHN COc1cc(CN2CC[C@H]3CCCO[C@H]3C2)c(O)c(OC)c1 ZINC001237670549 1138745904 /nfs/dbraw/zinc/74/59/04/1138745904.db2.gz SULPOZRFJKOULP-WBMJQRKESA-N 0 3 307.390 2.410 20 10 DECDHN COC(=O)C1(C)CCN(Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237676437 1138748706 /nfs/dbraw/zinc/74/87/06/1138748706.db2.gz OFBBVAKJQDFGBH-UHFFFAOYSA-N 0 3 323.389 2.185 20 10 DECDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@]3(CCNC3=O)C2)c1[O-] ZINC001237678406 1138751181 /nfs/dbraw/zinc/75/11/81/1138751181.db2.gz BLFGLCUBFGSWJS-INIZCTEOSA-N 0 3 308.809 2.456 20 10 DECDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@]3(CCNC3=O)C2)c1[O-] ZINC001237678406 1138751195 /nfs/dbraw/zinc/75/11/95/1138751195.db2.gz BLFGLCUBFGSWJS-INIZCTEOSA-N 0 3 308.809 2.456 20 10 DECDHN COC[C@]12COC[C@H]1C[N@H+](Cc1cc(Cl)cc(C)c1[O-])C2 ZINC001237682495 1138754806 /nfs/dbraw/zinc/75/48/06/1138754806.db2.gz ASZRWQWUFYCHDG-CZUORRHYSA-N 0 3 311.809 2.449 20 10 DECDHN COC[C@]12COC[C@H]1C[N@@H+](Cc1cc(Cl)cc(C)c1[O-])C2 ZINC001237682495 1138754815 /nfs/dbraw/zinc/75/48/15/1138754815.db2.gz ASZRWQWUFYCHDG-CZUORRHYSA-N 0 3 311.809 2.449 20 10 DECDHN COc1cc(CN2CCC[C@@]3(CCC(=O)O3)C2)c(O)c(OC)c1 ZINC001237679907 1138756384 /nfs/dbraw/zinc/75/63/84/1138756384.db2.gz GFBFBEWYNFQYRI-QGZVFWFLSA-N 0 3 321.373 2.081 20 10 DECDHN Cc1cc(F)cc(CN2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)c1O ZINC001238063015 1138819234 /nfs/dbraw/zinc/81/92/34/1138819234.db2.gz ZEKABZOGEIHNNQ-GVDBMIGSSA-N 0 3 321.392 2.466 20 10 DECDHN OCCCCN1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001319823626 1140745897 /nfs/dbraw/zinc/74/58/97/1140745897.db2.gz QZZSZHQBIMAMCB-UHFFFAOYSA-N 0 3 317.477 2.177 20 10 DECDHN COc1ccc(CNC/C=C\CNC(=O)[C@@H]2C[C@@H]2C)cc1C ZINC001320952239 1141004986 /nfs/dbraw/zinc/00/49/86/1141004986.db2.gz JTMPAMZOYXQTSQ-WAXTVWTQSA-N 0 3 302.418 2.422 20 10 DECDHN CN1CCN(c2ccc(CNC3CC(F)(F)C3)cc2F)CC1 ZINC001321918758 1141365269 /nfs/dbraw/zinc/36/52/69/1141365269.db2.gz HCLQTWMRIRYFPK-UHFFFAOYSA-N 0 3 313.367 2.465 20 10 DECDHN COC[C@H](C)C(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 ZINC001323407793 1141850849 /nfs/dbraw/zinc/85/08/49/1141850849.db2.gz YBBVYVTZOBIOPB-AWEZNQCLSA-N 0 3 320.433 2.025 20 10 DECDHN COC(=O)Cc1ccc(C[NH+]2CCC(OC(C)C)CC2)c([O-])c1 ZINC001249201074 1141858908 /nfs/dbraw/zinc/85/89/08/1141858908.db2.gz CWFJPBWLBCVUHE-UHFFFAOYSA-N 0 3 321.417 2.497 20 10 DECDHN COC(=O)Cc1ccc(C[N@@H+]2CCC3(C2)CCOCC3)c([O-])c1 ZINC001249201038 1141859063 /nfs/dbraw/zinc/85/90/63/1141859063.db2.gz BTPDNQAQPRZBGN-UHFFFAOYSA-N 0 3 319.401 2.110 20 10 DECDHN COC(=O)Cc1ccc(C[N@H+]2CCC3(C2)CCOCC3)c([O-])c1 ZINC001249201038 1141859065 /nfs/dbraw/zinc/85/90/65/1141859065.db2.gz BTPDNQAQPRZBGN-UHFFFAOYSA-N 0 3 319.401 2.110 20 10 DECDHN COCC[C@@H]1CCCC[N@@H+]1Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249201542 1141859245 /nfs/dbraw/zinc/85/92/45/1141859245.db2.gz WYGTTWAWRMWDBO-INIZCTEOSA-N 0 3 321.417 2.499 20 10 DECDHN COCC[C@@H]1CCCC[N@H+]1Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249201542 1141859247 /nfs/dbraw/zinc/85/92/47/1141859247.db2.gz WYGTTWAWRMWDBO-INIZCTEOSA-N 0 3 321.417 2.499 20 10 DECDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H](OC)C[C@H]2C)c([O-])c1 ZINC001249223665 1141862366 /nfs/dbraw/zinc/86/23/66/1141862366.db2.gz LTVVJARLGPUKPJ-DOMZBBRYSA-N 0 3 307.390 2.107 20 10 DECDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](OC)C[C@H]2C)c([O-])c1 ZINC001249223665 1141862368 /nfs/dbraw/zinc/86/23/68/1141862368.db2.gz LTVVJARLGPUKPJ-DOMZBBRYSA-N 0 3 307.390 2.107 20 10 DECDHN CC(=O)N[C@H]1CC[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249258795 1141865085 /nfs/dbraw/zinc/86/50/85/1141865085.db2.gz MPCZTNBIXFJZFW-AWEZNQCLSA-N 0 3 316.401 2.287 20 10 DECDHN CC(=O)N[C@H]1CC[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249258795 1141865086 /nfs/dbraw/zinc/86/50/86/1141865086.db2.gz MPCZTNBIXFJZFW-AWEZNQCLSA-N 0 3 316.401 2.287 20 10 DECDHN CC(=O)N[C@H]1CCN(Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249258795 1141865087 /nfs/dbraw/zinc/86/50/87/1141865087.db2.gz MPCZTNBIXFJZFW-AWEZNQCLSA-N 0 3 316.401 2.287 20 10 DECDHN CCOC(=O)C[C@H](O)CNCc1ccc(N2CCCCC2)cc1 ZINC001253806651 1142947130 /nfs/dbraw/zinc/94/71/30/1142947130.db2.gz HDSFMHGEDPAOSY-KRWDZBQOSA-N 0 3 320.433 2.081 20 10 DECDHN CO[C@@H]1CCCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001254005173 1143025644 /nfs/dbraw/zinc/02/56/44/1143025644.db2.gz TVTUSOSUWIAWJP-MRXNPFEDSA-N 0 3 321.440 2.188 20 10 DECDHN Cc1cc(CN2CCCN(Cc3ccc(N)cc3)CC2)no1 ZINC001262487099 1144315617 /nfs/dbraw/zinc/31/56/17/1144315617.db2.gz KPYCUPDYJGHEBW-UHFFFAOYSA-N 0 3 300.406 2.273 20 10 DECDHN C[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])CC(C)(CO)CO ZINC000093502644 355683761 /nfs/dbraw/zinc/68/37/61/355683761.db2.gz AKOYEKLDAHRAFU-UHFFFAOYSA-N 0 3 315.413 2.482 20 10 DECDHN C[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])CC(C)(CO)CO ZINC000093502644 355683762 /nfs/dbraw/zinc/68/37/62/355683762.db2.gz AKOYEKLDAHRAFU-UHFFFAOYSA-N 0 3 315.413 2.482 20 10 DECDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC(=O)NC(C)C ZINC000076074386 283297418 /nfs/dbraw/zinc/29/74/18/283297418.db2.gz FYLUBMQBVUOMAS-ZDUSSCGKSA-N 0 3 321.421 2.227 20 10 DECDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC(=O)NC(C)C ZINC000076074386 283297422 /nfs/dbraw/zinc/29/74/22/283297422.db2.gz FYLUBMQBVUOMAS-ZDUSSCGKSA-N 0 3 321.421 2.227 20 10 DECDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c1 ZINC000092070738 193151689 /nfs/dbraw/zinc/15/16/89/193151689.db2.gz WDXXVBMMAUCVRE-AWEZNQCLSA-N 0 3 316.405 2.295 20 10 DECDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)c1 ZINC000092070738 193151691 /nfs/dbraw/zinc/15/16/91/193151691.db2.gz WDXXVBMMAUCVRE-AWEZNQCLSA-N 0 3 316.405 2.295 20 10 DECDHN CCN(CCC[NH2+][C@@H](C)c1ccc(C)cc1[O-])S(C)(=O)=O ZINC000038035465 182975422 /nfs/dbraw/zinc/97/54/22/182975422.db2.gz ZWXOPQUTGCYFFC-ZDUSSCGKSA-N 0 3 314.451 2.023 20 10 DECDHN CNC(=O)C1CCC([NH2+][C@H](C)c2cc(OC)ccc2[O-])CC1 ZINC000273602669 130144166 /nfs/dbraw/zinc/14/41/66/130144166.db2.gz SGTDPNNBOBRJBH-PNESKVBLSA-N 0 3 306.406 2.356 20 10 DECDHN COc1cc(Cl)cc(C[N@H+](C)CCc2noc(C)n2)c1[O-] ZINC000273697912 130155136 /nfs/dbraw/zinc/15/51/36/130155136.db2.gz CQKGKRZXTHTUAK-UHFFFAOYSA-N 0 3 311.769 2.420 20 10 DECDHN COc1cc(Cl)cc(C[N@@H+](C)CCc2noc(C)n2)c1[O-] ZINC000273697912 130155138 /nfs/dbraw/zinc/15/51/38/130155138.db2.gz CQKGKRZXTHTUAK-UHFFFAOYSA-N 0 3 311.769 2.420 20 10 DECDHN Cc1cccc(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2C)c1[O-] ZINC000275611470 130347120 /nfs/dbraw/zinc/34/71/20/130347120.db2.gz QYFUBJSXVHKDJS-HOCLYGCPSA-N 0 3 301.390 2.444 20 10 DECDHN C[C@@H](N[C@@H](C)C(=O)NCCF)c1cc2c(cc1O)CCCC2 ZINC000282904268 130945361 /nfs/dbraw/zinc/94/53/61/130945361.db2.gz WXEHREDCBFZCEQ-NEPJUHHUSA-N 0 3 308.397 2.396 20 10 DECDHN Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c([O-])c1O ZINC000286913393 131254655 /nfs/dbraw/zinc/25/46/55/131254655.db2.gz CYPJVTHEFPEVLQ-OCCSQVGLSA-N 0 3 304.390 2.105 20 10 DECDHN Cc1cc(Br)cc(C[NH2+]C[C@H](O)C2CC2)c1[O-] ZINC000289485701 131390178 /nfs/dbraw/zinc/39/01/78/131390178.db2.gz RATLCSAVQOKNEP-LBPRGKRZSA-N 0 3 300.196 2.324 20 10 DECDHN CN1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000298718504 132074878 /nfs/dbraw/zinc/07/48/78/132074878.db2.gz YSAHJGQTRPDIJQ-UHFFFAOYSA-N 0 3 316.449 2.134 20 10 DECDHN CN(C)c1ccc(CNC(=O)NC2CCN(C3CC3)CC2)cc1 ZINC000031728613 401873456 /nfs/dbraw/zinc/87/34/56/401873456.db2.gz NVPYCLHTSLJJDC-UHFFFAOYSA-N 0 3 316.449 2.179 20 10 DECDHN CCN1CCN([C@H]2CC[N@H+](Cc3c([O-])cccc3Cl)C2)CC1 ZINC000119606776 401961212 /nfs/dbraw/zinc/96/12/12/401961212.db2.gz DTGXAKLNRPULAE-AWEZNQCLSA-N 0 3 323.868 2.257 20 10 DECDHN CCN1CCN([C@H]2CC[N@@H+](Cc3c([O-])cccc3Cl)C2)CC1 ZINC000119606776 401961216 /nfs/dbraw/zinc/96/12/16/401961216.db2.gz DTGXAKLNRPULAE-AWEZNQCLSA-N 0 3 323.868 2.257 20 10 DECDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c([O-])c1 ZINC000093809081 402020198 /nfs/dbraw/zinc/02/01/98/402020198.db2.gz YWPACJHUQYYECA-ZDUSSCGKSA-N 0 3 306.406 2.268 20 10 DECDHN CCCOc1ccc(C[N@H+]2CCC[C@@H](CC(N)=O)C2)c([O-])c1 ZINC000093809081 402020199 /nfs/dbraw/zinc/02/01/99/402020199.db2.gz YWPACJHUQYYECA-ZDUSSCGKSA-N 0 3 306.406 2.268 20 10 DECDHN CC[C@H](N)C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000121510274 402041003 /nfs/dbraw/zinc/04/10/03/402041003.db2.gz QWPLGGGGGHCMHP-NSHDSACASA-N 0 3 315.211 2.241 20 10 DECDHN COc1cccc(CN2CCC(c3noc(C)n3)CC2)c1O ZINC000092787837 402009195 /nfs/dbraw/zinc/00/91/95/402009195.db2.gz GBVRPPIAOGEZFH-UHFFFAOYSA-N 0 3 303.362 2.472 20 10 DECDHN CCOC(=O)N[C@H]1CCCN(Cc2cccc(OC)c2O)C1 ZINC000154000663 402186088 /nfs/dbraw/zinc/18/60/88/402186088.db2.gz WZOYKZDNMAJQHL-ZDUSSCGKSA-N 0 3 308.378 2.111 20 10 DECDHN CCN(CCNC(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000102010407 402161342 /nfs/dbraw/zinc/16/13/42/402161342.db2.gz QCWNYBAETZBCSI-UHFFFAOYSA-N 0 3 322.428 2.175 20 10 DECDHN Cc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC(N)=O)c2)c([O-])c1 ZINC000185578174 402362625 /nfs/dbraw/zinc/36/26/25/402362625.db2.gz PVIVKDVMGYODOC-CYBMUJFWSA-N 0 3 314.385 2.416 20 10 DECDHN COCCN1CCC([NH2+][C@@H](C)c2cc(OC)ccc2[O-])CC1 ZINC000185144857 402328171 /nfs/dbraw/zinc/32/81/71/402328171.db2.gz WTFAMCROHCXJPV-ZDUSSCGKSA-N 0 3 308.422 2.162 20 10 DECDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)Cc1ccc(N)cc1 ZINC000165640762 402477240 /nfs/dbraw/zinc/47/72/40/402477240.db2.gz PWYLLYBYTJSOPS-SFHVURJKSA-N 0 3 311.429 2.100 20 10 DECDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c1 ZINC000179373780 402587220 /nfs/dbraw/zinc/58/72/20/402587220.db2.gz JWPBOZSRFUVYLE-CYBMUJFWSA-N 0 3 307.390 2.376 20 10 DECDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](C3OCCO3)C2)c1 ZINC000179373780 402587222 /nfs/dbraw/zinc/58/72/22/402587222.db2.gz JWPBOZSRFUVYLE-CYBMUJFWSA-N 0 3 307.390 2.376 20 10 DECDHN CC[C@@H](NCc1cc(OC)c(OC)cc1O)[C@H](O)C(F)(F)F ZINC000271795476 402884181 /nfs/dbraw/zinc/88/41/81/402884181.db2.gz HSYJXJGMMFHWFB-RNCFNFMXSA-N 0 3 323.311 2.201 20 10 DECDHN COc1cc([O-])c(C[NH2+]C[C@@H]2COC3(CCCC3)O2)cc1OC ZINC000271800063 402884368 /nfs/dbraw/zinc/88/43/68/402884368.db2.gz IQSKFNUFWUAOHU-CYBMUJFWSA-N 0 3 323.389 2.185 20 10 DECDHN O=C1[C@H]([NH2+]Cc2cc(F)ccc2[O-])CCN1Cc1ccccc1 ZINC000272501733 402945069 /nfs/dbraw/zinc/94/50/69/402945069.db2.gz VSOCHKHUJJVBBY-MRXNPFEDSA-N 0 3 314.360 2.422 20 10 DECDHN COc1cccc(CNC(=O)[C@@H]2CCCN2C2CCCC2)c1O ZINC000269736075 403162163 /nfs/dbraw/zinc/16/21/63/403162163.db2.gz VZSURKQANMFFCQ-HNNXBMFYSA-N 0 3 318.417 2.424 20 10 DECDHN CCOc1cccc(C[N@@H+]2C[C@@H](C)[C@](C)(C(=O)OC)C2)c1[O-] ZINC000282892916 403162960 /nfs/dbraw/zinc/16/29/60/403162960.db2.gz ZMRGZLVVVCFVJG-SJKOYZFVSA-N 0 3 307.390 2.422 20 10 DECDHN CCOc1cccc(C[N@H+]2C[C@@H](C)[C@](C)(C(=O)OC)C2)c1[O-] ZINC000282892916 403162963 /nfs/dbraw/zinc/16/29/63/403162963.db2.gz ZMRGZLVVVCFVJG-SJKOYZFVSA-N 0 3 307.390 2.422 20 10 DECDHN COC(=O)[C@H]1CCN(Cc2cc(OC)c(OC)cc2O)C[C@H]1C ZINC000276381424 403168968 /nfs/dbraw/zinc/16/89/68/403168968.db2.gz AQYKOYRKUQKWEJ-YPMHNXCESA-N 0 3 323.389 2.040 20 10 DECDHN COc1cccc(CN2CC[C@H](Oc3ccccn3)C2)c1O ZINC000271171109 403272922 /nfs/dbraw/zinc/27/29/22/403272922.db2.gz FAGUCULDCUJHLW-AWEZNQCLSA-N 0 3 300.358 2.449 20 10 DECDHN Cc1cc([O-])c(C[N@H+]2C[C@H](N3CCOCC3)C[C@H]2C)cc1C ZINC000284973529 403275253 /nfs/dbraw/zinc/27/52/53/403275253.db2.gz BGLOMUCCJWTZLW-NVXWUHKLSA-N 0 3 304.434 2.304 20 10 DECDHN Cc1cc([O-])c(C[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)cc1C ZINC000284973529 403275255 /nfs/dbraw/zinc/27/52/55/403275255.db2.gz BGLOMUCCJWTZLW-NVXWUHKLSA-N 0 3 304.434 2.304 20 10 DECDHN COc1cc([N+](=O)[O-])c(N2CC[C@H](N3CCCC3)C2)cc1OC ZINC000301946698 403704243 /nfs/dbraw/zinc/70/42/43/403704243.db2.gz XRGYVTCPAQVELN-LBPRGKRZSA-N 0 3 321.377 2.287 20 10 DECDHN CCOc1ccc(O)c(CN2CCC[C@@H](OC(=O)N(C)C)C2)c1 ZINC000294828463 403735665 /nfs/dbraw/zinc/73/56/65/403735665.db2.gz PTSFNBUCQRGGNF-OAHLLOKOSA-N 0 3 322.405 2.454 20 10 DECDHN C[C@H]1CS(=O)(=O)C[C@H]1NCc1ccc(N2CCCCC2)cc1 ZINC000288420315 403751130 /nfs/dbraw/zinc/75/11/30/403751130.db2.gz AXYZUQRBXXCLPK-WMLDXEAASA-N 0 3 322.474 2.200 20 10 DECDHN Cc1cccc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)c1[O-] ZINC000295197772 403792723 /nfs/dbraw/zinc/79/27/23/403792723.db2.gz YFKYWHWTXFNMDY-UHFFFAOYSA-N 0 3 311.447 2.394 20 10 DECDHN [O-]c1ccccc1C[N@H+](CCc1cn[nH]c1)C[C@H]1CCCO1 ZINC000290055966 404023803 /nfs/dbraw/zinc/02/38/03/404023803.db2.gz PBPGQBZMBFDDOZ-MRXNPFEDSA-N 0 3 301.390 2.339 20 10 DECDHN [O-]c1ccccc1C[N@@H+](CCc1cn[nH]c1)C[C@H]1CCCO1 ZINC000290055966 404023812 /nfs/dbraw/zinc/02/38/12/404023812.db2.gz PBPGQBZMBFDDOZ-MRXNPFEDSA-N 0 3 301.390 2.339 20 10 DECDHN CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+]Cc2ccccc2[O-])C1 ZINC000296207218 404144448 /nfs/dbraw/zinc/14/44/48/404144448.db2.gz DGJHULKBCCOREK-CQSZACIVSA-N 0 3 322.405 2.118 20 10 DECDHN CC[C@H]([NH2+][C@H](C)CN1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000285977123 288077897 /nfs/dbraw/zinc/07/78/97/288077897.db2.gz HMARHLMJRZXVTI-CJNGLKHVSA-N 0 3 309.429 2.208 20 10 DECDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@]1(F)CCNC1 ZINC000361797013 336773064 /nfs/dbraw/zinc/77/30/64/336773064.db2.gz GSOGGPSBNGPYCA-SFHVURJKSA-N 0 3 319.424 2.337 20 10 DECDHN CCO[C@H]1C[C@](CO)(NCc2ccc3c(c2)CCO3)C1(C)C ZINC000186594046 520587060 /nfs/dbraw/zinc/58/70/60/520587060.db2.gz IGOGJZSPVYFDFR-FUHWJXTLSA-N 0 3 305.418 2.277 20 10 DECDHN CCN(CC)c1ccc(CN2CCO[C@@H](CN(C)C)C2)cc1 ZINC000128098545 520892993 /nfs/dbraw/zinc/89/29/93/520892993.db2.gz CHUPUKLGMJIKRE-SFHVURJKSA-N 0 3 305.466 2.295 20 10 DECDHN C[C@H](NCCOCCO)c1ccc(N2CCCCC2)c(F)c1 ZINC000159099659 525358170 /nfs/dbraw/zinc/35/81/70/525358170.db2.gz RSHWTTDINQDVEV-AWEZNQCLSA-N 0 3 310.413 2.476 20 10 DECDHN C[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)c(F)c1[O-] ZINC000191216681 525382054 /nfs/dbraw/zinc/38/20/54/525382054.db2.gz HRJSESHVOSUKRJ-NWDGAFQWSA-N 0 3 314.376 2.168 20 10 DECDHN CSC[C@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000188057610 525700868 /nfs/dbraw/zinc/70/08/68/525700868.db2.gz GWLPLXDOMXSFAS-CABCVRRESA-N 0 3 311.447 2.097 20 10 DECDHN CSC[C@H](O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000188057610 525700871 /nfs/dbraw/zinc/70/08/71/525700871.db2.gz GWLPLXDOMXSFAS-CABCVRRESA-N 0 3 311.447 2.097 20 10 DECDHN Cc1ccc([C@H](O)C[NH2+]Cc2cc3c(cc2[O-])OCO3)cc1 ZINC000237651144 525977237 /nfs/dbraw/zinc/97/72/37/525977237.db2.gz FVIPXPLECBZVAO-OAHLLOKOSA-N 0 3 301.342 2.253 20 10 DECDHN CC[C@@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)N(C)C ZINC000298684598 535401243 /nfs/dbraw/zinc/40/12/43/535401243.db2.gz USTUFVITGBXGFW-HOTGVXAUSA-N 0 3 320.433 2.240 20 10 DECDHN CN(C)c1ccc(/C=C/CNC[C@@H]2CCCCS2(=O)=O)cc1 ZINC000835048806 649871353 /nfs/dbraw/zinc/87/13/53/649871353.db2.gz ZLTAXYIWZMDQSZ-RTRPANQVSA-N 0 3 322.474 2.323 20 10 DECDHN CCOc1ccc(O)c(CN[C@H]2C[C@@H]3CCCCN3C2=O)c1 ZINC000835074711 649875890 /nfs/dbraw/zinc/87/58/90/649875890.db2.gz TVHQTVSKFXFARZ-ZFWWWQNUSA-N 0 3 304.390 2.034 20 10 DECDHN c1sc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1-c1nnn[n-]1 ZINC000823767802 606216655 /nfs/dbraw/zinc/21/66/55/606216655.db2.gz XOFLMYRAMDFZGT-UHFFFAOYSA-N 0 3 313.386 2.153 20 10 DECDHN CC(C)[C@@H](F)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246780 623790645 /nfs/dbraw/zinc/79/06/45/623790645.db2.gz DJDKIKGQEXBPJC-HZPDHXFCSA-N 0 3 309.429 2.466 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)c2nccs2)N(C)C)cc1 ZINC000891249338 623793518 /nfs/dbraw/zinc/79/35/18/623793518.db2.gz RBUBGTMAUZCISH-AWEZNQCLSA-N 0 3 318.446 2.242 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCSC2)N(C)C)cc1 ZINC000891250504 623795794 /nfs/dbraw/zinc/79/57/94/623795794.db2.gz APGYUMDZBABRQE-GDBMZVCRSA-N 0 3 321.490 2.225 20 10 DECDHN Cc1cc[nH]c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891249096 623796013 /nfs/dbraw/zinc/79/60/13/623796013.db2.gz PORGFSHWBHXBEG-MRXNPFEDSA-N 0 3 314.433 2.422 20 10 DECDHN CSC[C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252915 623798230 /nfs/dbraw/zinc/79/82/30/623798230.db2.gz OMENPCIFLFILLW-XJKSGUPXSA-N 0 3 323.506 2.471 20 10 DECDHN Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000893052821 625080231 /nfs/dbraw/zinc/08/02/31/625080231.db2.gz HVEQVMMLKJPBKD-KRWDZBQOSA-N 0 3 318.465 2.297 20 10 DECDHN C[C@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1ccccc1[O-] ZINC000179891175 625903537 /nfs/dbraw/zinc/90/35/37/625903537.db2.gz WBEVQWOYNNNPIC-LBPRGKRZSA-N 0 3 300.358 2.107 20 10 DECDHN COc1cccc(CNCc2cnc(N3CCCC3)nc2)c1O ZINC000733900747 633295236 /nfs/dbraw/zinc/29/52/36/633295236.db2.gz FDYQCWQHLKFFAA-UHFFFAOYSA-N 0 3 314.389 2.081 20 10 DECDHN Cc1cc(N(C)C)ccc1CN[C@H](C)C1(S(C)(=O)=O)CC1 ZINC000840947501 635292343 /nfs/dbraw/zinc/29/23/43/635292343.db2.gz WYOZPVGUJFADJI-CYBMUJFWSA-N 0 3 310.463 2.116 20 10 DECDHN COC(=O)C[C@]1(NCc2ccc3c(c2)CCCO3)CCCOC1 ZINC000893662545 635741463 /nfs/dbraw/zinc/74/14/63/635741463.db2.gz XPEQSJJOTWCZPH-GOSISDBHSA-N 0 3 319.401 2.214 20 10 DECDHN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCN(CCCF)C2)cc1 ZINC001016380605 635927741 /nfs/dbraw/zinc/92/77/41/635927741.db2.gz FDGDGVAEQRPXOP-CYBMUJFWSA-N 0 3 321.356 2.013 20 10 DECDHN CN1C(=O)N=NC1C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000922407613 636163973 /nfs/dbraw/zinc/16/39/73/636163973.db2.gz XKZFSKFFNVKEDU-JSGCOSHPSA-N 0 3 316.405 2.117 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@H+](C)[C@@H]3CCN(C)C3=O)c2c1 ZINC000738265673 637409636 /nfs/dbraw/zinc/40/96/36/637409636.db2.gz JFWAZOQCWAYNFH-MRXNPFEDSA-N 0 3 314.385 2.217 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@@H+](C)[C@@H]3CCN(C)C3=O)c2c1 ZINC000738265673 637409638 /nfs/dbraw/zinc/40/96/38/637409638.db2.gz JFWAZOQCWAYNFH-MRXNPFEDSA-N 0 3 314.385 2.217 20 10 DECDHN COCCC1(C)CN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000839143335 637804657 /nfs/dbraw/zinc/80/46/57/637804657.db2.gz PGGMYEQJFXGIQU-UHFFFAOYSA-N 0 3 304.434 2.382 20 10 DECDHN CC1(C)CNC(=O)[C@@H]1NCc1ccc(N2CCCCC2)cc1 ZINC000895318558 637924398 /nfs/dbraw/zinc/92/43/98/637924398.db2.gz WGUVZUKCCGACRZ-INIZCTEOSA-N 0 3 301.434 2.291 20 10 DECDHN Cc1cc(N(C)C)ccc1CN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000840914191 650379834 /nfs/dbraw/zinc/37/98/34/650379834.db2.gz RBACWRPWZXIHNI-RTBURBONSA-N 0 3 317.477 2.092 20 10 DECDHN COc1cc(C)cc(CNCc2cc(N(C)C)ccn2)c1O ZINC000896298041 638455133 /nfs/dbraw/zinc/45/51/33/638455133.db2.gz HEDUGWDYZHSBNX-UHFFFAOYSA-N 0 3 301.390 2.460 20 10 DECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H]([C@]2(C)COC(=O)N2)C1 ZINC000896396390 638502192 /nfs/dbraw/zinc/50/21/92/638502192.db2.gz PJNFKAIJHYUCPN-SJCJKPOMSA-N 0 3 320.389 2.111 20 10 DECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H]([C@]2(C)COC(=O)N2)C1 ZINC000896396390 638502195 /nfs/dbraw/zinc/50/21/95/638502195.db2.gz PJNFKAIJHYUCPN-SJCJKPOMSA-N 0 3 320.389 2.111 20 10 DECDHN Cc1ccc(C[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)c([O-])c1 ZINC000897177530 639226218 /nfs/dbraw/zinc/22/62/18/639226218.db2.gz QRJRAYGTHTYMNH-MRXNPFEDSA-N 0 3 305.418 2.454 20 10 DECDHN Cc1ccc(C[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)c([O-])c1 ZINC000897177530 639226227 /nfs/dbraw/zinc/22/62/27/639226227.db2.gz QRJRAYGTHTYMNH-MRXNPFEDSA-N 0 3 305.418 2.454 20 10 DECDHN C[C@H]1C[C@H]([NH2+]CCN2CCO[C@H](C)C2)c2c1c(F)ccc2[O-] ZINC000756547348 639672283 /nfs/dbraw/zinc/67/22/83/639672283.db2.gz ZXKCZTBUOMFDOJ-SCRDCRAPSA-N 0 3 308.397 2.390 20 10 DECDHN COc1cccc([O-])c1C[N@H+](C)CCCNC(=O)C1CCC1 ZINC000763626891 640556064 /nfs/dbraw/zinc/55/60/64/640556064.db2.gz QEMYORXBJGFSEY-UHFFFAOYSA-N 0 3 306.406 2.139 20 10 DECDHN COc1cccc([O-])c1C[N@@H+](C)CCCNC(=O)C1CCC1 ZINC000763626891 640556070 /nfs/dbraw/zinc/55/60/70/640556070.db2.gz QEMYORXBJGFSEY-UHFFFAOYSA-N 0 3 306.406 2.139 20 10 DECDHN Nc1ccc(CCNC(=O)N2CCN(C3CCCC3)CC2)cc1 ZINC000841963064 650614391 /nfs/dbraw/zinc/61/43/91/650614391.db2.gz VIRHPMPBDRADRY-UHFFFAOYSA-N 0 3 316.449 2.081 20 10 DECDHN Cc1cc(Br)cc(CN2C[C@H](C)[C@H](O)C2)c1O ZINC000897679986 640900263 /nfs/dbraw/zinc/90/02/63/640900263.db2.gz DOFYAVZJRIXLTP-JOYOIKCWSA-N 0 3 300.196 2.276 20 10 DECDHN Cc1cc(Br)cc(C[N@H+]2C[C@H](C)[C@H](O)C2)c1[O-] ZINC000897679986 640900265 /nfs/dbraw/zinc/90/02/65/640900265.db2.gz DOFYAVZJRIXLTP-JOYOIKCWSA-N 0 3 300.196 2.276 20 10 DECDHN Cc1cc(Br)cc(C[N@@H+]2C[C@H](C)[C@H](O)C2)c1[O-] ZINC000897679986 640900267 /nfs/dbraw/zinc/90/02/67/640900267.db2.gz DOFYAVZJRIXLTP-JOYOIKCWSA-N 0 3 300.196 2.276 20 10 DECDHN COc1cc(CN[C@@]2(C)CCNC2=O)c(O)c(C(C)(C)C)c1 ZINC000897870143 640957815 /nfs/dbraw/zinc/95/78/15/640957815.db2.gz YGMPYHIKOAMBFC-KRWDZBQOSA-N 0 3 306.406 2.067 20 10 DECDHN Cc1cccc([O-])c1C[NH2+]C[C@@]1(c2cnn(C)c2)CCCO1 ZINC000898054236 641015273 /nfs/dbraw/zinc/01/52/73/641015273.db2.gz STUGTKOFKOPLBI-QGZVFWFLSA-N 0 3 301.390 2.230 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]([C@H]3CCOC3)C1)[C@@H](O)CO2 ZINC000768461862 641085012 /nfs/dbraw/zinc/08/50/12/641085012.db2.gz GQTSOKSVXDHWBT-DCGLDWPTSA-N 0 3 319.401 2.067 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]([C@H]3CCOC3)C1)[C@@H](O)CO2 ZINC000768461862 641085019 /nfs/dbraw/zinc/08/50/19/641085019.db2.gz GQTSOKSVXDHWBT-DCGLDWPTSA-N 0 3 319.401 2.067 20 10 DECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](c2nc(C)no2)C1 ZINC000768791240 641124089 /nfs/dbraw/zinc/12/40/89/641124089.db2.gz YJYMHSNUGGOUBV-GFCCVEGCSA-N 0 3 303.362 2.472 20 10 DECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](c2nc(C)no2)C1 ZINC000768791240 641124092 /nfs/dbraw/zinc/12/40/92/641124092.db2.gz YJYMHSNUGGOUBV-GFCCVEGCSA-N 0 3 303.362 2.472 20 10 DECDHN COc1cccc(CN(C)Cc2cccc(C(N)=O)c2)c1O ZINC000768926765 641144420 /nfs/dbraw/zinc/14/44/20/641144420.db2.gz NDRMQAXEPCXYQZ-UHFFFAOYSA-N 0 3 300.358 2.132 20 10 DECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000769551128 641259128 /nfs/dbraw/zinc/25/91/28/641259128.db2.gz VGZAJQUFTXKDQR-CYBMUJFWSA-N 0 3 301.390 2.199 20 10 DECDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000769551128 641259130 /nfs/dbraw/zinc/25/91/30/641259130.db2.gz VGZAJQUFTXKDQR-CYBMUJFWSA-N 0 3 301.390 2.199 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c([O-])c1 ZINC000770388011 641363629 /nfs/dbraw/zinc/36/36/29/641363629.db2.gz SJVOTRPNZPTANX-CQSZACIVSA-N 0 3 316.405 2.295 20 10 DECDHN CCOc1ccc(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c([O-])c1 ZINC000770388011 641363632 /nfs/dbraw/zinc/36/36/32/641363632.db2.gz SJVOTRPNZPTANX-CQSZACIVSA-N 0 3 316.405 2.295 20 10 DECDHN COCC1(C)CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000773273022 641751958 /nfs/dbraw/zinc/75/19/58/641751958.db2.gz VRKOLAFWDJNIDL-HNNXBMFYSA-N 0 3 307.390 2.067 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC=CCC2)N(C)C)cc1 ZINC000899105230 641936713 /nfs/dbraw/zinc/93/67/13/641936713.db2.gz VSRRESOILQKZSO-QGZVFWFLSA-N 0 3 316.449 2.327 20 10 DECDHN COc1c([O-])c(CNc2cc(N(C)C)cc[nH+]2)ccc1[N+](=O)[O-] ZINC000775060756 642002324 /nfs/dbraw/zinc/00/23/24/642002324.db2.gz MTFQAWFLTCLZIT-UHFFFAOYSA-N 0 3 318.333 2.382 20 10 DECDHN CCCCNC(=O)NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775832734 642103263 /nfs/dbraw/zinc/10/32/63/642103263.db2.gz AZGMCFLVFBVBFX-CYBMUJFWSA-N 0 3 320.437 2.029 20 10 DECDHN CCC1([NH+]2CCC2)CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000899559161 642106065 /nfs/dbraw/zinc/10/60/65/642106065.db2.gz MGIXASAKBXODKY-UHFFFAOYSA-N 0 3 304.390 2.188 20 10 DECDHN [O-]c1cc2c(cc1C[NH+]1CCC([C@@H]3CCOC3)CC1)[C@H](O)CO2 ZINC000784006303 643082232 /nfs/dbraw/zinc/08/22/32/643082232.db2.gz FOTJQXJJEBMNFI-CXAGYDPISA-N 0 3 319.401 2.067 20 10 DECDHN C[C@@H]1C[C@H]([NH2+]CCC2CS(=O)(=O)C2)c2c1c(F)ccc2[O-] ZINC000786943882 643431765 /nfs/dbraw/zinc/43/17/65/643431765.db2.gz BEKSXBDDBSPYBU-SKDRFNHKSA-N 0 3 313.394 2.104 20 10 DECDHN COc1cc(Br)cc(C[NH2+]CCC[C@H](C)O)c1[O-] ZINC000788524928 643620795 /nfs/dbraw/zinc/62/07/95/643620795.db2.gz ZGPUUUZDUKXEFW-VIFPVBQESA-N 0 3 318.211 2.414 20 10 DECDHN CCOc1ccc(C[NH2+]C(C)(C)C(=O)N2CCCC2)c([O-])c1 ZINC000793397072 644245835 /nfs/dbraw/zinc/24/58/35/644245835.db2.gz UVUCOMZCYKKATI-UHFFFAOYSA-N 0 3 306.406 2.282 20 10 DECDHN CC[C@H]1CN(Cc2cc(C)cc(OC)c2O)C[C@]2(CCOC2)O1 ZINC000794694286 644461534 /nfs/dbraw/zinc/46/15/34/644461534.db2.gz MNUZPACNOBWNAB-YJBOKZPZSA-N 0 3 321.417 2.479 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@](C)(C(N)=O)C3)c2c1 ZINC000794704679 644463207 /nfs/dbraw/zinc/46/32/07/644463207.db2.gz LYYHEKQZTLAWEI-GOSISDBHSA-N 0 3 314.385 2.251 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@](C)(C(N)=O)C3)c2c1 ZINC000794704679 644463209 /nfs/dbraw/zinc/46/32/09/644463209.db2.gz LYYHEKQZTLAWEI-GOSISDBHSA-N 0 3 314.385 2.251 20 10 DECDHN COc1cc(C)cc(CN2C[C@H](C)O[C@]3(CCOC3)C2)c1O ZINC000794710599 644464876 /nfs/dbraw/zinc/46/48/76/644464876.db2.gz ZBTHTZREMLDGPI-SUMWQHHRSA-N 0 3 307.390 2.089 20 10 DECDHN CCCN(C)CC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839917504 645294806 /nfs/dbraw/zinc/29/48/06/645294806.db2.gz FCFMGEHIKCIIAD-HNNXBMFYSA-N 0 3 305.466 2.450 20 10 DECDHN CO[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1(C)C ZINC000840122195 646003151 /nfs/dbraw/zinc/00/31/51/646003151.db2.gz BECQYQOBXBLXQX-GDBMZVCRSA-N 0 3 307.390 2.065 20 10 DECDHN CO[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1(C)C ZINC000840122195 646003154 /nfs/dbraw/zinc/00/31/54/646003154.db2.gz BECQYQOBXBLXQX-GDBMZVCRSA-N 0 3 307.390 2.065 20 10 DECDHN COc1cccc(CNCc2cc3c(cc2OC)OCO3)c1O ZINC000809739902 646271744 /nfs/dbraw/zinc/27/17/44/646271744.db2.gz GFBFNHJGENUENN-UHFFFAOYSA-N 0 3 317.341 2.428 20 10 DECDHN COc1cccc(CNCc2c3c(nn2C)CCCC3)c1O ZINC000812773249 646693080 /nfs/dbraw/zinc/69/30/80/646693080.db2.gz BDFBSKVQVHKAIT-UHFFFAOYSA-N 0 3 301.390 2.303 20 10 DECDHN Cc1cc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)c(C)n1-c1ccccn1 ZINC000814143683 646853830 /nfs/dbraw/zinc/85/38/30/646853830.db2.gz AVPHCASZTSPLFZ-WBVHZDCISA-N 0 3 324.428 2.265 20 10 DECDHN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCN(C)[C@@H]2C)cc1 ZINC000914254922 647241199 /nfs/dbraw/zinc/24/11/99/647241199.db2.gz VGMLBIWLRMKQHO-PBHICJAKSA-N 0 3 318.465 2.425 20 10 DECDHN CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC000921427126 648312507 /nfs/dbraw/zinc/31/25/07/648312507.db2.gz YEVNGWNTZZTWLK-ZDUSSCGKSA-N 0 3 323.412 2.308 20 10 DECDHN CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC000921427126 648312509 /nfs/dbraw/zinc/31/25/09/648312509.db2.gz YEVNGWNTZZTWLK-ZDUSSCGKSA-N 0 3 323.412 2.308 20 10 DECDHN CN(C[C@@H]1CCCN1C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000823753878 648478896 /nfs/dbraw/zinc/47/88/96/648478896.db2.gz ZNIBHIADKYMPRV-ZDUSSCGKSA-N 0 3 303.366 2.015 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCOC[C@H]2OC)c1[O-] ZINC000824710542 648640334 /nfs/dbraw/zinc/64/03/34/648640334.db2.gz ZWPPAPAATDDXBS-QMTHXVAHSA-N 0 3 315.797 2.195 20 10 DECDHN COc1ccc(N2CCN(Cc3cc(C)ccc3O)CC2)nc1 ZINC000825305234 648738937 /nfs/dbraw/zinc/73/89/37/648738937.db2.gz DVOMVEGYWNWLBB-UHFFFAOYSA-N 0 3 313.401 2.426 20 10 DECDHN CC[C@H](NCc1ccc(N(C)C)cc1C(F)(F)F)C(=O)NC ZINC000825315474 648740407 /nfs/dbraw/zinc/74/04/07/648740407.db2.gz BQLJELPAGXDJIR-ZDUSSCGKSA-N 0 3 317.355 2.386 20 10 DECDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1[O-] ZINC000827133568 648978571 /nfs/dbraw/zinc/97/85/71/648978571.db2.gz UWCYIWOFIHTFDL-MFKMUULPSA-N 0 3 324.808 2.155 20 10 DECDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1[O-] ZINC000827133568 648978574 /nfs/dbraw/zinc/97/85/74/648978574.db2.gz UWCYIWOFIHTFDL-MFKMUULPSA-N 0 3 324.808 2.155 20 10 DECDHN COC(=O)N(C)CCN(C)Cc1cc(Cl)cc(OC)c1O ZINC000827341122 649018565 /nfs/dbraw/zinc/01/85/65/649018565.db2.gz ZMIYTAGNNRDLBA-UHFFFAOYSA-N 0 3 316.785 2.184 20 10 DECDHN CCN(CC)c1ccc(CNC(=O)C(N)C(F)(F)F)cc1 ZINC000827341021 649018965 /nfs/dbraw/zinc/01/89/65/649018965.db2.gz PRYGNQSRHSIFLK-GFCCVEGCSA-N 0 3 303.328 2.039 20 10 DECDHN c1[nH]nc2c1CN(Cc1ccc(N3CCOCC3)cc1)CCC2 ZINC000828013986 649121077 /nfs/dbraw/zinc/12/10/77/649121077.db2.gz QFMFXNLHRZZACO-UHFFFAOYSA-N 0 3 312.417 2.195 20 10 DECDHN CC1([NH+]2CCC2)CCC(NC(=O)c2cccc(O)c2[O-])CC1 ZINC000834782860 649844373 /nfs/dbraw/zinc/84/43/73/649844373.db2.gz AZODFYUPNVUNLY-UHFFFAOYSA-N 0 3 304.390 2.235 20 10 DECDHN COCCn1cc(CN[C@H](C)c2cccc(OC)c2O)cn1 ZINC000846167156 651312621 /nfs/dbraw/zinc/31/26/21/651312621.db2.gz HDKVARBXBSJSHZ-GFCCVEGCSA-N 0 3 305.378 2.095 20 10 DECDHN Cc1ncc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)n1C ZINC000850078884 651822199 /nfs/dbraw/zinc/82/21/99/651822199.db2.gz ZBFDUKDJIUQUPR-CQSZACIVSA-N 0 3 314.433 2.416 20 10 DECDHN CS(=O)(=O)CC1(CC[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000850485885 651937737 /nfs/dbraw/zinc/93/77/37/651937737.db2.gz OQFWPBDDQLYHCG-ZDUSSCGKSA-N 0 3 309.431 2.184 20 10 DECDHN Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c([O-])c1O ZINC000856480095 651939057 /nfs/dbraw/zinc/93/90/57/651939057.db2.gz QLWUBGPTBOYSKB-CQSZACIVSA-N 0 3 318.417 2.258 20 10 DECDHN Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)c([O-])c1O ZINC000856480095 651939059 /nfs/dbraw/zinc/93/90/59/651939059.db2.gz QLWUBGPTBOYSKB-CQSZACIVSA-N 0 3 318.417 2.258 20 10 DECDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cnn(C)c1 ZINC000850566752 651953965 /nfs/dbraw/zinc/95/39/65/651953965.db2.gz RYUIQHWBIBSOIL-CQSZACIVSA-N 0 3 314.433 2.232 20 10 DECDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cn[nH]c1 ZINC000850567414 651954130 /nfs/dbraw/zinc/95/41/30/651954130.db2.gz BQMXWKLGDJUART-CYBMUJFWSA-N 0 3 300.406 2.222 20 10 DECDHN COCCOC[C@H](C)NCc1cc(F)c(N(C)C)cc1F ZINC000858145874 652264752 /nfs/dbraw/zinc/26/47/52/652264752.db2.gz IFUZWELMVGSORU-NSHDSACASA-N 0 3 302.365 2.172 20 10 DECDHN CCN(C)c1ccc(CN2CCC(NC(=O)OC)CC2)cc1 ZINC000852763990 652452879 /nfs/dbraw/zinc/45/28/79/652452879.db2.gz DARRPFBZSQXZSF-UHFFFAOYSA-N 0 3 305.422 2.463 20 10 DECDHN CCN(CC)c1ccc(CNC[C@H]2CCCS2(=O)=O)cc1 ZINC000126668906 684156779 /nfs/dbraw/zinc/15/67/79/684156779.db2.gz NECNFCASKOXIFD-MRXNPFEDSA-N 0 3 310.463 2.200 20 10 DECDHN [O-]c1cccc(Br)c1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000862245969 686264846 /nfs/dbraw/zinc/26/48/46/686264846.db2.gz DEYRMAVMIZDJGD-GXFFZTMASA-N 0 3 311.223 2.339 20 10 DECDHN COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000863541236 686518394 /nfs/dbraw/zinc/51/83/94/686518394.db2.gz HPOMYOHJHQIZCN-IAQYHMDHSA-N 0 3 304.390 2.114 20 10 DECDHN CC(=O)c1cc(F)cc(CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1[O-] ZINC000863562378 686522768 /nfs/dbraw/zinc/52/27/68/686522768.db2.gz JWOGXRFSYCQBJH-CALCHBBNSA-N 0 3 306.381 2.165 20 10 DECDHN CCOC(=O)/C=C\CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000930210602 694113535 /nfs/dbraw/zinc/11/35/35/694113535.db2.gz PDQDQMCHMRMWEI-FOSCPCJNSA-N 0 3 318.417 2.293 20 10 DECDHN COCCC1(NCc2c([O-])ccc(Cl)c2F)CC[NH2+]CC1 ZINC000873224441 689188128 /nfs/dbraw/zinc/18/81/28/689188128.db2.gz BOPILYFYMSUADQ-UHFFFAOYSA-N 0 3 316.804 2.433 20 10 DECDHN COc1ccc(N2CCN(C(=O)[C@@H](N)CCC(C)C)CC2)cc1 ZINC000876707820 689910920 /nfs/dbraw/zinc/91/09/20/689910920.db2.gz BEFLYMXWICEQMW-KRWDZBQOSA-N 0 3 319.449 2.107 20 10 DECDHN Cc1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)c([O-])c1 ZINC000877569964 690155362 /nfs/dbraw/zinc/15/53/62/690155362.db2.gz BPYQDXLVAAJTTI-PBHICJAKSA-N 0 3 301.390 2.444 20 10 DECDHN NC(=O)Cc1cccc2c1CCN(Cc1cc(F)ccc1O)C2 ZINC000877680411 690188866 /nfs/dbraw/zinc/18/88/66/690188866.db2.gz YBNXIXCMQWVRPX-UHFFFAOYSA-N 0 3 314.360 2.117 20 10 DECDHN NC(=O)Cc1cccc2c1CC[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC000877680411 690188868 /nfs/dbraw/zinc/18/88/68/690188868.db2.gz YBNXIXCMQWVRPX-UHFFFAOYSA-N 0 3 314.360 2.117 20 10 DECDHN NC(=O)Cc1cccc2c1CC[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC000877680411 690188871 /nfs/dbraw/zinc/18/88/71/690188871.db2.gz YBNXIXCMQWVRPX-UHFFFAOYSA-N 0 3 314.360 2.117 20 10 DECDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)C[C@@H](O)c1ccccc1 ZINC000878241915 690355780 /nfs/dbraw/zinc/35/57/80/690355780.db2.gz KGNDOSFUQBIHSS-FUHWJXTLSA-N 0 3 301.386 2.309 20 10 DECDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)C[C@@H](O)c1ccccc1 ZINC000878241915 690355782 /nfs/dbraw/zinc/35/57/82/690355782.db2.gz KGNDOSFUQBIHSS-FUHWJXTLSA-N 0 3 301.386 2.309 20 10 DECDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ncccc2C)c1 ZINC000878360419 690388026 /nfs/dbraw/zinc/38/80/26/690388026.db2.gz NMMAGOGKXQWMBL-GFCCVEGCSA-N 0 3 315.373 2.394 20 10 DECDHN CCCCN1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039059298 691006428 /nfs/dbraw/zinc/00/64/28/691006428.db2.gz FVAJFRJWOHPBJQ-AWEZNQCLSA-N 0 3 317.393 2.453 20 10 DECDHN CO[C@@H](CN)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000884205520 691682302 /nfs/dbraw/zinc/68/23/02/691682302.db2.gz YOPFYPXDCGNFRY-KRWDZBQOSA-N 0 3 319.449 2.045 20 10 DECDHN CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2c([O-])cccc2F)CC1 ZINC000886522320 692100850 /nfs/dbraw/zinc/10/08/50/692100850.db2.gz HDTQEMWXQQMCDQ-HUUCEWRRSA-N 0 3 323.456 2.456 20 10 DECDHN CCN(CC)c1ccc(CN2CCC(NC(N)=O)CC2)cc1 ZINC000093051873 779245547 /nfs/dbraw/zinc/24/55/47/779245547.db2.gz WVDNCLNBXSHLFJ-UHFFFAOYSA-N 0 3 304.438 2.166 20 10 DECDHN CCN1CC[C@H](C)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000968685591 784540527 /nfs/dbraw/zinc/54/05/27/784540527.db2.gz VYFMXLVWYDICKV-SMDDNHRTSA-N 0 3 317.393 2.309 20 10 DECDHN COc1cc(C)cc(CNCC(=O)NC2CCCCC2)c1O ZINC001119442974 795302376 /nfs/dbraw/zinc/30/23/76/795302376.db2.gz FJZDRUMCTLZUFV-UHFFFAOYSA-N 0 3 306.406 2.248 20 10 DECDHN [O-]c1ccccc1C[NH+]1CCC(Oc2ncc(F)cn2)CC1 ZINC001203560469 795816689 /nfs/dbraw/zinc/81/66/89/795816689.db2.gz ARLMPVDUVHIEFQ-UHFFFAOYSA-N 0 3 303.337 2.365 20 10 DECDHN CCOC(=O)CC[NH+](CCC(=O)OCC)Cc1ccccc1[O-] ZINC001203561783 795828503 /nfs/dbraw/zinc/82/85/03/795828503.db2.gz ZDJFYXSRKSEMTG-UHFFFAOYSA-N 0 3 323.389 2.101 20 10 DECDHN C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ncccc1[O-] ZINC001138394018 796213833 /nfs/dbraw/zinc/21/38/33/796213833.db2.gz CKBRQZCRFIWKTP-UHFFFAOYSA-N 0 3 313.401 2.256 20 10 DECDHN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ncccc1[O-] ZINC001138394018 796213837 /nfs/dbraw/zinc/21/38/37/796213837.db2.gz CKBRQZCRFIWKTP-UHFFFAOYSA-N 0 3 313.401 2.256 20 10 DECDHN COc1cc(CN2CCCC(=O)[C@H](C)C2)cc(CN(C)C)c1O ZINC001139253351 796348834 /nfs/dbraw/zinc/34/88/34/796348834.db2.gz RWOPHTOXMIIMAD-CYBMUJFWSA-N 0 3 320.433 2.263 20 10 DECDHN Oc1ccc(F)cc1CN1CCC(Oc2ncccn2)CC1 ZINC001140055131 796471009 /nfs/dbraw/zinc/47/10/09/796471009.db2.gz KMGGNUUWXHPYFN-UHFFFAOYSA-N 0 3 303.337 2.365 20 10 DECDHN CCN1CCN(c2ccc(CN3C[C@H]4CC[C@@H](C3)O4)cc2)CC1 ZINC001140299747 796503798 /nfs/dbraw/zinc/50/37/98/796503798.db2.gz DZTFAOLKKBESFF-KDURUIRLSA-N 0 3 315.461 2.192 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@](O)(CF)CC2)c(OC)c1 ZINC001141031802 796621160 /nfs/dbraw/zinc/62/11/60/796621160.db2.gz MCMFXHCPBVPICL-MRXNPFEDSA-N 0 3 313.369 2.096 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CCC[C@](O)(CF)CC2)c(OC)c1 ZINC001141031802 796621163 /nfs/dbraw/zinc/62/11/63/796621163.db2.gz MCMFXHCPBVPICL-MRXNPFEDSA-N 0 3 313.369 2.096 20 10 DECDHN Cc1c2ccccc2n(C)c1CNCC(=O)NCc1ccco1 ZINC001199376787 798477328 /nfs/dbraw/zinc/47/73/28/798477328.db2.gz PFEMYCPESCWRLM-UHFFFAOYSA-N 0 3 311.385 2.486 20 10 DECDHN CN(Cc1ccccc1O)C(=S)NCCN1CCCCC1 ZINC001200431561 798636467 /nfs/dbraw/zinc/63/64/67/798636467.db2.gz YRPSLCCEPVMGCS-UHFFFAOYSA-N 0 3 307.463 2.184 20 10 DECDHN Cc1noc([C@@H]2C[C@@H]3CC[N@H+](Cc4ccccc4[O-])C[C@H]3O2)n1 ZINC001203551911 800079475 /nfs/dbraw/zinc/07/94/75/800079475.db2.gz SJKGWBVHPTVRKP-VBNZEHGJSA-N 0 3 315.373 2.436 20 10 DECDHN Cc1noc([C@@H]2C[C@@H]3CC[N@@H+](Cc4ccccc4[O-])C[C@H]3O2)n1 ZINC001203551911 800079486 /nfs/dbraw/zinc/07/94/86/800079486.db2.gz SJKGWBVHPTVRKP-VBNZEHGJSA-N 0 3 315.373 2.436 20 10 DECDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001204275017 800197577 /nfs/dbraw/zinc/19/75/77/800197577.db2.gz LNECEYQNGHBWJA-WMZOPIPTSA-N 0 3 319.401 2.258 20 10 DECDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001204275017 800197579 /nfs/dbraw/zinc/19/75/79/800197579.db2.gz LNECEYQNGHBWJA-WMZOPIPTSA-N 0 3 319.401 2.258 20 10 DECDHN COc1ccc(O[C@H]2CC[N@H+](Cc3ccc(O)cc3[O-])C2)nc1 ZINC001204278115 800199365 /nfs/dbraw/zinc/19/93/65/800199365.db2.gz UGBIAWLGOCSECP-HNNXBMFYSA-N 0 3 316.357 2.155 20 10 DECDHN COc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(O)cc3[O-])C2)nc1 ZINC001204278115 800199366 /nfs/dbraw/zinc/19/93/66/800199366.db2.gz UGBIAWLGOCSECP-HNNXBMFYSA-N 0 3 316.357 2.155 20 10 DECDHN COc1cc(O[C@H]2CC[N@H+](Cc3ccc(O)cc3[O-])C2)ccn1 ZINC001204281706 800200125 /nfs/dbraw/zinc/20/01/25/800200125.db2.gz HEOFWPKVAYPZBN-HNNXBMFYSA-N 0 3 316.357 2.155 20 10 DECDHN COc1cc(O[C@H]2CC[N@@H+](Cc3ccc(O)cc3[O-])C2)ccn1 ZINC001204281706 800200128 /nfs/dbraw/zinc/20/01/28/800200128.db2.gz HEOFWPKVAYPZBN-HNNXBMFYSA-N 0 3 316.357 2.155 20 10 DECDHN [NH3+][C@H]1CN(Cc2cc(Br)ccc2[O-])CC(F)(F)C1 ZINC001206116686 800474476 /nfs/dbraw/zinc/47/44/76/800474476.db2.gz DQPSEPVQBLCUSB-SNVBAGLBSA-N 0 3 321.165 2.323 20 10 DECDHN C[NH+]1CCC2(CC[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)CC1 ZINC001231454914 801668258 /nfs/dbraw/zinc/66/82/58/801668258.db2.gz KGPDKMYBROANRI-UHFFFAOYSA-N 0 3 304.390 2.008 20 10 DECDHN C[NH+]1CCC2(CC[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)CC1 ZINC001231454914 801668263 /nfs/dbraw/zinc/66/82/63/801668263.db2.gz KGPDKMYBROANRI-UHFFFAOYSA-N 0 3 304.390 2.008 20 10 DECDHN [O-]c1ccc2ccccc2c1C[NH+]1CCN(CCCO)CC1 ZINC001231587000 801690870 /nfs/dbraw/zinc/69/08/70/801690870.db2.gz OZXZCEMHZZTPLM-UHFFFAOYSA-N 0 3 300.402 2.045 20 10 DECDHN COc1cc(Cl)cc(CN2CC[C@@H](O)[C@@H](F)CC2)c1O ZINC001233287996 802064108 /nfs/dbraw/zinc/06/41/08/802064108.db2.gz QUYZTIBSXFDZGL-NWDGAFQWSA-N 0 3 303.761 2.349 20 10 DECDHN CCOC(=O)CC[N@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC001233290028 802064612 /nfs/dbraw/zinc/06/46/12/802064612.db2.gz DMONYOOXYCNDNO-UHFFFAOYSA-N 0 3 301.770 2.439 20 10 DECDHN CCOC(=O)CC[N@@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC001233290028 802064617 /nfs/dbraw/zinc/06/46/17/802064617.db2.gz DMONYOOXYCNDNO-UHFFFAOYSA-N 0 3 301.770 2.439 20 10 DECDHN Oc1cc(O)c(CN2CC[C@@H](Oc3ccccc3)C2)cc1O ZINC001233484957 802127635 /nfs/dbraw/zinc/12/76/35/802127635.db2.gz DBXKHDOIKQBYNV-CQSZACIVSA-N 0 3 301.342 2.457 20 10 DECDHN Oc1cc(O)c(CN2CCC[C@@H](Oc3ccncc3)C2)cc1O ZINC001233487527 802128659 /nfs/dbraw/zinc/12/86/59/802128659.db2.gz HNFOYFIJTGSUQO-CQSZACIVSA-N 0 3 316.357 2.242 20 10 DECDHN C[C@@H](Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O)C1C[NH2+]C1 ZINC001218197121 802154064 /nfs/dbraw/zinc/15/40/64/802154064.db2.gz YRGMIVKTWAOACO-SNVBAGLBSA-N 0 3 323.348 2.154 20 10 DECDHN CN(C)c1cc(F)c(CNC2(CCO)CCOCC2)cc1F ZINC001331498256 1149488305 /nfs/dbraw/zinc/48/83/05/1149488305.db2.gz LOSUXASHHGDJFV-UHFFFAOYSA-N 0 3 314.376 2.052 20 10 DECDHN COc1cc(C)c(C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)c([O-])c1 ZINC001462527393 1058844369 /nfs/dbraw/zinc/84/43/69/1058844369.db2.gz KZFZUEBAFWIFKY-AWEZNQCLSA-N 0 3 321.417 2.073 20 10 DECDHN COc1cc(C)c(C[N@H+]2C[C@@H](O)CC3(CCOCC3)C2)c([O-])c1 ZINC001462527393 1058844391 /nfs/dbraw/zinc/84/43/91/1058844391.db2.gz KZFZUEBAFWIFKY-AWEZNQCLSA-N 0 3 321.417 2.073 20 10 DECDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001465900111 1059381113 /nfs/dbraw/zinc/38/11/13/1059381113.db2.gz NQQGATRHLYQTCH-HZMBPMFUSA-N 0 3 315.377 2.062 20 10 DECDHN Cc1c(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc(CN)n1C ZINC001579518890 1067359242 /nfs/dbraw/zinc/35/92/42/1067359242.db2.gz DQKHQOQHDWYGMN-UHFFFAOYSA-N 0 3 314.433 2.130 20 10 DECDHN COc1cc(C)c(CNCc2ccc(OC)nc2OC)c(O)c1 ZINC001560871203 1075147444 /nfs/dbraw/zinc/14/74/44/1075147444.db2.gz AFJILNMWNIRHHD-UHFFFAOYSA-N 0 3 318.373 2.411 20 10 DECDHN C[C@H]([NH2+]Cc1ccncc1-c1nnn[n-]1)c1ccc(N(C)C)cc1 ZINC001589970264 1076539387 /nfs/dbraw/zinc/53/93/87/1076539387.db2.gz KAIATYARKISOLW-LBPRGKRZSA-N 0 3 323.404 2.179 20 10 DECDHN C[C@H]([NH2+]Cc1ccncc1-c1nn[n-]n1)c1ccc(N(C)C)cc1 ZINC001589970264 1076539391 /nfs/dbraw/zinc/53/93/91/1076539391.db2.gz KAIATYARKISOLW-LBPRGKRZSA-N 0 3 323.404 2.179 20 10 DECDHN COc1cc(C)c(CN2C[C@@H](C)O[C@@]3(CCOC3)C2)c(O)c1 ZINC001657886056 1080188432 /nfs/dbraw/zinc/18/84/32/1080188432.db2.gz KBABYENOSFQDSN-DYVFJYSZSA-N 0 3 307.390 2.089 20 10 DECDHN CCN1CCN(c2ccc(OC3CC4(COC4)C3)cc2)CC1 ZINC001234658280 1084190126 /nfs/dbraw/zinc/19/01/26/1084190126.db2.gz ZIKHKWWMDSKADP-UHFFFAOYSA-N 0 3 302.418 2.386 20 10 DECDHN [O-]c1c(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)cccc1-c1ccccc1 ZINC001234998127 1084263299 /nfs/dbraw/zinc/26/32/99/1084263299.db2.gz FUZRGZNYRMSTLT-FUHWJXTLSA-N 0 3 313.397 2.234 20 10 DECDHN [O-]c1c(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)cccc1-c1ccccc1 ZINC001234998127 1084263310 /nfs/dbraw/zinc/26/33/10/1084263310.db2.gz FUZRGZNYRMSTLT-FUHWJXTLSA-N 0 3 313.397 2.234 20 10 DECDHN O=C([O-])c1ccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c([O-])c1 ZINC001235243106 1084356176 /nfs/dbraw/zinc/35/61/76/1084356176.db2.gz VYJYRNZFDMJFSH-MRXNPFEDSA-N 0 3 318.417 2.445 20 10 DECDHN CN1CC[C@]2(CCCN2Cc2ccc(N3CCCC3)cc2)C1=O ZINC001272987563 1085801324 /nfs/dbraw/zinc/80/13/24/1085801324.db2.gz DGRRYPBIGKYKJU-LJQANCHMSA-N 0 3 313.445 2.484 20 10 DECDHN C[C@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1cc(F)ccc1[O-] ZINC000694605533 1086609830 /nfs/dbraw/zinc/60/98/30/1086609830.db2.gz YMJVQGHHDSAHKD-JQWIXIFHSA-N 0 3 301.383 2.149 20 10 DECDHN CC[C@@H](O)CN1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001251784888 1092039326 /nfs/dbraw/zinc/03/93/26/1092039326.db2.gz YYYODDMYAFUOSN-CYBMUJFWSA-N 0 3 318.339 2.478 20 10 DECDHN Cc1ccc(C)c(CN2CC3(C2)CN(C(=O)NC(C)C)C3)c1O ZINC001275968578 1092397128 /nfs/dbraw/zinc/39/71/28/1092397128.db2.gz DCLZBJXLUNHMLW-UHFFFAOYSA-N 0 3 317.433 2.245 20 10 DECDHN COc1cc(O)c(CN2CC(N3CCCCC3)C2)cc1OC ZINC001236752427 1138410510 /nfs/dbraw/zinc/41/05/10/1138410510.db2.gz TUIUJBWZBZDURI-UHFFFAOYSA-N 0 3 306.406 2.080 20 10 DECDHN CCc1ccc(C[NH+]2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)c([O-])c1 ZINC001236788148 1138428372 /nfs/dbraw/zinc/42/83/72/1138428372.db2.gz SEAAZZNTYUHJGM-IAGOWNOFSA-N 0 3 324.428 2.313 20 10 DECDHN COc1cc(C)c(C[NH+]2CCC3(CCC(=O)N3C)CC2)c([O-])c1 ZINC001236816726 1138438362 /nfs/dbraw/zinc/43/83/62/1138438362.db2.gz VRZGOLHPYPMFAY-UHFFFAOYSA-N 0 3 318.417 2.296 20 10 DECDHN COc1cc(C)c(C[N@H+](C)[C@@H]2CCCN(C(C)=O)C2)c([O-])c1 ZINC001236822136 1138439318 /nfs/dbraw/zinc/43/93/18/1138439318.db2.gz YBIIULQZNHTIMD-CQSZACIVSA-N 0 3 306.406 2.152 20 10 DECDHN COc1cc(C)c(C[N@@H+](C)[C@@H]2CCCN(C(C)=O)C2)c([O-])c1 ZINC001236822136 1138439322 /nfs/dbraw/zinc/43/93/22/1138439322.db2.gz YBIIULQZNHTIMD-CQSZACIVSA-N 0 3 306.406 2.152 20 10 DECDHN CO[C@@H]1CCCN(Cc2ccc(N3CCN(C)CC3)cc2F)C1 ZINC001236933686 1138460844 /nfs/dbraw/zinc/46/08/44/1138460844.db2.gz ZLGGXOGNAIMYSU-QGZVFWFLSA-N 0 3 321.440 2.188 20 10 DECDHN Cc1cc(O)c(CN2C[C@@H]3C[C@H]2CN3C)cc1Br ZINC001237682882 1138756708 /nfs/dbraw/zinc/75/67/08/1138756708.db2.gz UIQASMYWEXUVKA-RYUDHWBXSA-N 0 3 311.223 2.351 20 10 DECDHN Cc1cc(F)cc(CN2CCC(N3CCOC3=O)CC2)c1O ZINC001238069253 1138820042 /nfs/dbraw/zinc/82/00/42/1138820042.db2.gz IBCWSQLQZPGIKM-UHFFFAOYSA-N 0 3 308.353 2.256 20 10 DECDHN COC(=O)Cc1ccc(CN2CCc3cnccc3C2)c(O)c1 ZINC001249173786 1141856745 /nfs/dbraw/zinc/85/67/45/1141856745.db2.gz WLKFYCLNIPOOHK-UHFFFAOYSA-N 0 3 312.369 2.061 20 10 DECDHN CCCO[C@H]1CC[N@H+](Cc2ccc(CC(=O)OC)cc2[O-])C1 ZINC001249201540 1141859040 /nfs/dbraw/zinc/85/90/40/1141859040.db2.gz WXLMCHPDKBORTB-HNNXBMFYSA-N 0 3 307.390 2.109 20 10 DECDHN CCCO[C@H]1CC[N@@H+](Cc2ccc(CC(=O)OC)cc2[O-])C1 ZINC001249201540 1141859042 /nfs/dbraw/zinc/85/90/42/1141859042.db2.gz WXLMCHPDKBORTB-HNNXBMFYSA-N 0 3 307.390 2.109 20 10 DECDHN COC(=O)Cc1ccc(C[NH+]2CC(C)(C)OC(C)(C)C2)c([O-])c1 ZINC001249214255 1141859858 /nfs/dbraw/zinc/85/98/58/1141859858.db2.gz JMDDKIVGFZLJPP-UHFFFAOYSA-N 0 3 321.417 2.497 20 10 DECDHN CCC(C)(C)N1CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001337070210 1142674954 /nfs/dbraw/zinc/67/49/54/1142674954.db2.gz LDUYIYCWVDAMPA-UHFFFAOYSA-N 0 3 304.438 2.285 20 10 DECDHN COCCNC(=O)C1(N[C@@H]2C[C@@H](C)c3c2c(O)ccc3C)CC1 ZINC001325575150 1147953572 /nfs/dbraw/zinc/95/35/72/1147953572.db2.gz VZPUNGKAGIDGED-CHWSQXEVSA-N 0 3 318.417 2.134 20 10 DECDHN C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccccc1[O-] ZINC000272818072 130066643 /nfs/dbraw/zinc/06/66/43/130066643.db2.gz FGEOAXJFKTXUHB-CQSZACIVSA-N 0 3 313.401 2.475 20 10 DECDHN CN1CCC(CC(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000273252821 130101203 /nfs/dbraw/zinc/10/12/03/130101203.db2.gz RVBKBYAFLUMFAS-UHFFFAOYSA-N 0 3 315.461 2.417 20 10 DECDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC(C)(C)CN(C)C)c1 ZINC000273362491 130110651 /nfs/dbraw/zinc/11/06/51/130110651.db2.gz DFAJSNYTFDHCNP-GFCCVEGCSA-N 0 3 308.422 2.417 20 10 DECDHN CCCOc1ccc(C[NH2+][C@@H]2C[C@@H](OCC)[C@H]2OC)c([O-])c1 ZINC000274912061 130273697 /nfs/dbraw/zinc/27/36/97/130273697.db2.gz JYFYTWMVUYQWFK-OIISXLGYSA-N 0 3 309.406 2.463 20 10 DECDHN CC[C@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000285524989 131177882 /nfs/dbraw/zinc/17/78/82/131177882.db2.gz BJUCVDVYJXIZGO-BBRMVZONSA-N 0 3 309.429 2.208 20 10 DECDHN C[C@@H]1CCCN(CCNC(=O)N(C)Cc2ccccc2O)C1 ZINC000298725949 132075345 /nfs/dbraw/zinc/07/53/45/132075345.db2.gz OKXRKAYIOMKBCA-CQSZACIVSA-N 0 3 305.422 2.266 20 10 DECDHN COc1ccc(N2CCN([C@H]3Cc4ccccc4[C@H]3O)CC2)cc1 ZINC000026417427 401840372 /nfs/dbraw/zinc/84/03/72/401840372.db2.gz KRNQVHXWRABQQP-VQTJNVASSA-N 0 3 324.424 2.476 20 10 DECDHN Cc1cc(O)c(CN2CCN(C[C@@H]3CCOC3)CC2)cc1C ZINC000093817589 402021247 /nfs/dbraw/zinc/02/12/47/402021247.db2.gz ZQPCRLRUEGPPRR-INIZCTEOSA-N 0 3 304.434 2.163 20 10 DECDHN CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000154085091 402191724 /nfs/dbraw/zinc/19/17/24/402191724.db2.gz FLHMJFFIDQNJLV-LBPRGKRZSA-N 0 3 320.414 2.151 20 10 DECDHN CC[C@@H]([NH2+]CCCN1CCN(CC)CC1)c1ccccc1[O-] ZINC000155123006 402245859 /nfs/dbraw/zinc/24/58/59/402245859.db2.gz STHUUZNJSQQXRW-QGZVFWFLSA-N 0 3 305.466 2.461 20 10 DECDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccc(F)cc1 ZINC000109772659 402276186 /nfs/dbraw/zinc/27/61/86/402276186.db2.gz AKXDJQBLQLCUNT-OAHLLOKOSA-N 0 3 305.349 2.403 20 10 DECDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccc(F)cc1 ZINC000109772659 402276187 /nfs/dbraw/zinc/27/61/87/402276187.db2.gz AKXDJQBLQLCUNT-OAHLLOKOSA-N 0 3 305.349 2.403 20 10 DECDHN CCN(CC)c1ccc(CNC(=O)N(C)CCN(C)C)cc1 ZINC000176243837 402294056 /nfs/dbraw/zinc/29/40/56/402294056.db2.gz QSFPWRDOZGPPOB-UHFFFAOYSA-N 0 3 306.454 2.236 20 10 DECDHN CC[C@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000176248785 402294061 /nfs/dbraw/zinc/29/40/61/402294061.db2.gz MOGGZOQQCIIJRY-HNNXBMFYSA-N 0 3 303.450 2.443 20 10 DECDHN COc1cc(N(C)CCN(C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000184787487 402299768 /nfs/dbraw/zinc/29/97/68/402299768.db2.gz NAFSVCNIDIXDLB-UHFFFAOYSA-N 0 3 309.366 2.142 20 10 DECDHN CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000185345841 402346086 /nfs/dbraw/zinc/34/60/86/402346086.db2.gz ODZIPFYXBRSKAE-CABCVRRESA-N 0 3 323.456 2.456 20 10 DECDHN CC(C)[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])N1CCN(C)CC1 ZINC000176986392 402357016 /nfs/dbraw/zinc/35/70/16/402357016.db2.gz LUAKQSJGNDICGL-WMLDXEAASA-N 0 3 323.456 2.454 20 10 DECDHN CCOC(=O)N1CC[C@H]([NH2+]Cc2cccc(OCC)c2[O-])C1 ZINC000185793379 402377525 /nfs/dbraw/zinc/37/75/25/402377525.db2.gz NHMSNAGEGHOTDZ-ZDUSSCGKSA-N 0 3 308.378 2.111 20 10 DECDHN Cc1ccc(O)c(CN2CCN(CC3CCOCC3)CC2)c1 ZINC000179627608 402596559 /nfs/dbraw/zinc/59/65/59/402596559.db2.gz QEQXIFJVIINUBX-UHFFFAOYSA-N 0 3 304.434 2.245 20 10 DECDHN Cc1ccc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c([O-])c1O ZINC000182484738 402694125 /nfs/dbraw/zinc/69/41/25/402694125.db2.gz SVSZVIFTSFIVDT-UHFFFAOYSA-N 0 3 318.417 2.497 20 10 DECDHN Cc1ccc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)c([O-])c1O ZINC000182484738 402694126 /nfs/dbraw/zinc/69/41/26/402694126.db2.gz SVSZVIFTSFIVDT-UHFFFAOYSA-N 0 3 318.417 2.497 20 10 DECDHN Cc1cc(C(=O)N2CCN[C@H](C)[C@@H]2C)c(C)n1-c1ccccn1 ZINC000262727609 402729912 /nfs/dbraw/zinc/72/99/12/402729912.db2.gz ATMOBQMQQBWXDD-KGLIPLIRSA-N 0 3 312.417 2.312 20 10 DECDHN COc1ccc(O)c(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC000271736539 402883416 /nfs/dbraw/zinc/88/34/16/402883416.db2.gz OYNLHJCKIFPGJV-WCQYABFASA-N 0 3 305.296 2.288 20 10 DECDHN CC[C@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1ccc(C)cc1[O-] ZINC000280149172 402969072 /nfs/dbraw/zinc/96/90/72/402969072.db2.gz QBVZYIXJZNEXEV-RDJZCZTQSA-N 0 3 305.466 2.377 20 10 DECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCCN(C(C)=O)C2)c1 ZINC000280972440 403055921 /nfs/dbraw/zinc/05/59/21/403055921.db2.gz LKTWJYROWQMOCZ-JSGCOSHPSA-N 0 3 306.406 2.310 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]CC2([S@@](C)=O)CCC2)c1[O-] ZINC000281685603 403081906 /nfs/dbraw/zinc/08/19/06/403081906.db2.gz BDAASZOUUQMVBX-HXUWFJFHSA-N 0 3 317.838 2.445 20 10 DECDHN COCCOCCOCC[N@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000276400757 403171155 /nfs/dbraw/zinc/17/11/55/403171155.db2.gz UKKWVCDLYOOVRW-UHFFFAOYSA-N 0 3 311.422 2.120 20 10 DECDHN COCCOCCOCC[N@@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000276400757 403171158 /nfs/dbraw/zinc/17/11/58/403171158.db2.gz UKKWVCDLYOOVRW-UHFFFAOYSA-N 0 3 311.422 2.120 20 10 DECDHN COc1cc([N+](=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)N3C)cc1OC ZINC000271037417 403256568 /nfs/dbraw/zinc/25/65/68/403256568.db2.gz MGIKHOXXQVCTRS-NEPJUHHUSA-N 0 3 321.377 2.285 20 10 DECDHN COCC[N@H+](CCN(C)C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293513988 403492394 /nfs/dbraw/zinc/49/23/94/403492394.db2.gz AJAWJVBMZDTQBF-UHFFFAOYSA-N 0 3 304.793 2.195 20 10 DECDHN COCC[N@@H+](CCN(C)C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293513988 403492399 /nfs/dbraw/zinc/49/23/99/403492399.db2.gz AJAWJVBMZDTQBF-UHFFFAOYSA-N 0 3 304.793 2.195 20 10 DECDHN CC1(C)OCC[C@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000293864214 403585645 /nfs/dbraw/zinc/58/56/45/403585645.db2.gz UQIBGNDANYGZNC-QGZVFWFLSA-N 0 3 322.424 2.444 20 10 DECDHN C[C@H]1C[C@H](N2CCOCC2)CN1Cc1ccc(N(C)C)c(F)c1 ZINC000289655921 403991371 /nfs/dbraw/zinc/99/13/71/403991371.db2.gz MZTKCENHBJVDSI-HOCLYGCPSA-N 0 3 321.440 2.187 20 10 DECDHN C[C@H]1C[C@H]([NH2+]CCN2CCC(O)CC2)c2c1c(F)ccc2[O-] ZINC000834901852 649858507 /nfs/dbraw/zinc/85/85/07/649858507.db2.gz ACODTOUOPXLCOK-FZMZJTMJSA-N 0 3 308.397 2.126 20 10 DECDHN CO[C@H]1COC[C@@H]1NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000290965380 277345478 /nfs/dbraw/zinc/34/54/78/277345478.db2.gz RXZPHYCEPUBFDT-KBPBESRZSA-N 0 3 318.339 2.275 20 10 DECDHN COc1cccc(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1O ZINC000289668421 278011432 /nfs/dbraw/zinc/01/14/32/278011432.db2.gz NNAJGJHLUSBTNQ-NEPJUHHUSA-N 0 3 319.323 2.394 20 10 DECDHN CC[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1ccccc1[O-] ZINC000363712711 332227557 /nfs/dbraw/zinc/22/75/57/332227557.db2.gz KHMFLUTXALOVLU-XJKSGUPXSA-N 0 3 300.406 2.445 20 10 DECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCN2CCOC(C)(C)C2)c1 ZINC000185361279 333207553 /nfs/dbraw/zinc/20/75/53/333207553.db2.gz PBZCYQJOPRDBPR-CYBMUJFWSA-N 0 3 308.422 2.162 20 10 DECDHN CCOc1ccc(C[NH2+][C@H]2Cc3ccccc3NC2=O)c([O-])c1 ZINC000527802607 337764942 /nfs/dbraw/zinc/76/49/42/337764942.db2.gz XUUCGLZSDVXMAU-INIZCTEOSA-N 0 3 312.369 2.444 20 10 DECDHN c1cc(N2CCOCC2)ccc1CN1CCN2CCCC[C@H]2C1 ZINC000245565610 534473042 /nfs/dbraw/zinc/47/30/42/534473042.db2.gz RVGZBDSJJYTZKW-IBGZPJMESA-N 0 3 315.461 2.193 20 10 DECDHN CCO[C@@H]1C[C@](CO)([NH2+]Cc2cc(OC)ccc2[O-])C1(C)C ZINC000188900384 520449614 /nfs/dbraw/zinc/44/96/14/520449614.db2.gz GJPIPJBRGUDMFK-NVXWUHKLSA-N 0 3 309.406 2.057 20 10 DECDHN COC(=O)C[C@@H]1CSCCN1Cc1cc(C)c(C)cc1O ZINC000156337461 523307380 /nfs/dbraw/zinc/30/73/80/523307380.db2.gz ZMQWGWBIYUOHJJ-CQSZACIVSA-N 0 3 309.431 2.490 20 10 DECDHN C[C@](O)(C[NH2+]Cc1cc2c(cc1[O-])OCO2)c1ccc(F)cc1 ZINC000157855998 525178642 /nfs/dbraw/zinc/17/86/42/525178642.db2.gz DCFRNZYCBIPRQC-KRWDZBQOSA-N 0 3 319.332 2.257 20 10 DECDHN C[C@@H]([NH2+]CCNC(=O)C1CC1)c1cc2c(cc1[O-])CCCC2 ZINC000184866972 525450559 /nfs/dbraw/zinc/45/05/59/525450559.db2.gz KWGGJWVMKOKIBH-GFCCVEGCSA-N 0 3 302.418 2.448 20 10 DECDHN C[C@@H]1OCC[C@@H]1N(C/C=C\c1ccc(N(C)C)cc1)CCO ZINC000835055682 649872687 /nfs/dbraw/zinc/87/26/87/649872687.db2.gz XLVKTDFAUPHBKP-JVUKZBMMSA-N 0 3 304.434 2.238 20 10 DECDHN C[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)C[C@H](C)N1CCO ZINC000835055708 649873065 /nfs/dbraw/zinc/87/30/65/649873065.db2.gz YAHGMDNLCNVWPU-YKZUCCNHSA-N 0 3 317.477 2.153 20 10 DECDHN COc1cc(CN2CCC[C@@H](N3CCCC3=O)C2)c(O)cc1C ZINC000160178203 622570482 /nfs/dbraw/zinc/57/04/82/622570482.db2.gz DIGIVHOXXMBKLF-OAHLLOKOSA-N 0 3 318.417 2.296 20 10 DECDHN COC/C(C)=C\C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246168 623789766 /nfs/dbraw/zinc/78/97/66/623789766.db2.gz MTUUSULDGGUKPI-IFCKCIONSA-N 0 3 319.449 2.064 20 10 DECDHN CO[C@@H](C)CCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247576 623792246 /nfs/dbraw/zinc/79/22/46/623792246.db2.gz IGJHHZZLCLAZTI-YOEHRIQHSA-N 0 3 321.465 2.287 20 10 DECDHN Cc1ncoc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252352 623799106 /nfs/dbraw/zinc/79/91/06/623799106.db2.gz JRDBIUNWNBUCIK-HNNXBMFYSA-N 0 3 316.405 2.082 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)CC(F)(F)F)N(C)C)cc1 ZINC000891255694 623805316 /nfs/dbraw/zinc/80/53/16/623805316.db2.gz RFOOQXBEAWXBCG-CYBMUJFWSA-N 0 3 317.355 2.424 20 10 DECDHN CCCCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891423232 624159366 /nfs/dbraw/zinc/15/93/66/624159366.db2.gz JZUHZSDZIOYCKQ-MRXNPFEDSA-N 0 3 306.454 2.455 20 10 DECDHN COc1ccc(CNCc2cccc(N(C)C)n2)c(O)c1OC ZINC000893208499 625229949 /nfs/dbraw/zinc/22/99/49/625229949.db2.gz FAPUNDKVKDDOCC-UHFFFAOYSA-N 0 3 317.389 2.160 20 10 DECDHN COc1ccc(O)c(CNCc2cccc(C(=O)N(C)C)c2)c1 ZINC000921741220 634818833 /nfs/dbraw/zinc/81/88/33/634818833.db2.gz UKGHKZCMADJHCC-UHFFFAOYSA-N 0 3 314.385 2.392 20 10 DECDHN COc1cccc([O-])c1C[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000840964253 635813788 /nfs/dbraw/zinc/81/37/88/635813788.db2.gz VLLXKOXTHVSNRA-CYBMUJFWSA-N 0 3 305.349 2.406 20 10 DECDHN CCOc1ccc(C[NH2+][C@H]2CCCN3CCSC[C@H]23)c([O-])c1 ZINC000922524477 636217746 /nfs/dbraw/zinc/21/77/46/636217746.db2.gz KXTBVUSWWVBHBJ-JKSUJKDBSA-N 0 3 322.474 2.460 20 10 DECDHN C[C@@H]1CN(c2ccc(CNCc3cnc[nH]3)cc2F)C[C@H](C)O1 ZINC000894193549 636401897 /nfs/dbraw/zinc/40/18/97/636401897.db2.gz RRUGDQDOBNLYIY-BETUJISGSA-N 0 3 318.396 2.452 20 10 DECDHN C[C@@H]1CN(c2ccc(CNCc3cnc[nH]3)cc2F)C[C@@H](C)O1 ZINC000894193553 636402038 /nfs/dbraw/zinc/40/20/38/636402038.db2.gz RRUGDQDOBNLYIY-CHWSQXEVSA-N 0 3 318.396 2.452 20 10 DECDHN CCOCCNCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894385936 636976687 /nfs/dbraw/zinc/97/66/87/636976687.db2.gz RGHYEPJSNNXNRP-UHFFFAOYSA-N 0 3 308.353 2.230 20 10 DECDHN C[C@@H]1C[C@H]1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000894696005 637168957 /nfs/dbraw/zinc/16/89/57/637168957.db2.gz UZENOEKFRGTCML-WQVCFCJDSA-N 0 3 304.438 2.063 20 10 DECDHN CCC[N@H+](Cc1ccc(OC)c(OC)c1[O-])[C@H]1CCN(C)C1 ZINC000895100401 637558700 /nfs/dbraw/zinc/55/87/00/637558700.db2.gz CFTXVASCPLDDBN-AWEZNQCLSA-N 0 3 308.422 2.326 20 10 DECDHN CCC[N@@H+](Cc1ccc(OC)c(OC)c1[O-])[C@H]1CCN(C)C1 ZINC000895100401 637558703 /nfs/dbraw/zinc/55/87/03/637558703.db2.gz CFTXVASCPLDDBN-AWEZNQCLSA-N 0 3 308.422 2.326 20 10 DECDHN CC1(C)CNC(=O)[C@H]1NCc1ccc(N2CCCCC2)cc1 ZINC000895318559 637924249 /nfs/dbraw/zinc/92/42/49/637924249.db2.gz WGUVZUKCCGACRZ-MRXNPFEDSA-N 0 3 301.434 2.291 20 10 DECDHN CN(C)c1ccc(CNC(=O)CN2CCCC23CCC3)cc1 ZINC000839583267 639761812 /nfs/dbraw/zinc/76/18/12/639761812.db2.gz FYOSWWUVAUEIHM-UHFFFAOYSA-N 0 3 301.434 2.387 20 10 DECDHN C[C@H]([NH2+]CCCN1CCN(C)CC1)c1ccc(Cl)cc1[O-] ZINC000841743042 650555940 /nfs/dbraw/zinc/55/59/40/650555940.db2.gz BVJMCWGKKRIBOM-ZDUSSCGKSA-N 0 3 311.857 2.334 20 10 DECDHN C[C@H]1NCCN(C(=O)NCCCSc2nccs2)[C@@H]1C ZINC000841856396 650581471 /nfs/dbraw/zinc/58/14/71/650581471.db2.gz JETHIAZYXNSTCN-GHMZBOCLSA-N 0 3 314.480 2.017 20 10 DECDHN CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000897648244 640889999 /nfs/dbraw/zinc/88/99/99/640889999.db2.gz RPAINCHMTXYYMF-UKRRQHHQSA-N 0 3 322.405 2.116 20 10 DECDHN CC[C@H](NCc1ccc(C(N)=O)nc1)c1ccc(N(C)C)cc1 ZINC000766529920 640891857 /nfs/dbraw/zinc/89/18/57/640891857.db2.gz CCOPMIHUEWKUJI-INIZCTEOSA-N 0 3 312.417 2.487 20 10 DECDHN CCOc1ccc(C[NH+]2CCC(CNC(C)=O)CC2)c([O-])c1 ZINC000769055941 641162755 /nfs/dbraw/zinc/16/27/55/641162755.db2.gz KLRYHRIOFBHOQK-UHFFFAOYSA-N 0 3 306.406 2.139 20 10 DECDHN CCOc1ccc(CN2CCN(CCOC(C)C)CC2)c(O)c1 ZINC000769469400 641246155 /nfs/dbraw/zinc/24/61/55/641246155.db2.gz XQXQIHPVYIZGGI-UHFFFAOYSA-N 0 3 322.449 2.334 20 10 DECDHN CCOc1ccc(C[NH+]2CCC(Cn3ccnn3)CC2)c([O-])c1 ZINC000770386248 641362750 /nfs/dbraw/zinc/36/27/50/641362750.db2.gz YYEXLFXDPHMURY-UHFFFAOYSA-N 0 3 316.405 2.295 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)N2CCCC2)N(C)C)cc1 ZINC000899101023 641941709 /nfs/dbraw/zinc/94/17/09/641941709.db2.gz GXXCYMBFGQYYMW-INIZCTEOSA-N 0 3 304.438 2.161 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)CC2CC2)N(C)C)cc1 ZINC000899100635 641941944 /nfs/dbraw/zinc/94/19/44/641941944.db2.gz BLSJYHPXSURPQY-QGZVFWFLSA-N 0 3 318.465 2.407 20 10 DECDHN COC(=O)/C(C)=C\CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775255934 642022565 /nfs/dbraw/zinc/02/25/65/642022565.db2.gz SBDZTOXRYCKAKQ-OWTLUSIOSA-N 0 3 318.417 2.293 20 10 DECDHN C[C@@H](N[C@@H](C)C(=O)NC[C@@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000775834924 642103151 /nfs/dbraw/zinc/10/31/51/642103151.db2.gz VXVCBHYZKYNFLP-KEYYUXOJSA-N 0 3 319.449 2.087 20 10 DECDHN C[NH+](C)C1(CNC(=O)c2cccc(O)c2[O-])CCCCCC1 ZINC000776326012 642158624 /nfs/dbraw/zinc/15/86/24/642158624.db2.gz VECMKXJLKCZEIT-UHFFFAOYSA-N 0 3 306.406 2.482 20 10 DECDHN CCOc1cccc(CN[C@H]2CCN(C(C)(C)C)C2=O)c1O ZINC000842721254 650811496 /nfs/dbraw/zinc/81/14/96/650811496.db2.gz QZBYTKUUGCHZRS-ZDUSSCGKSA-N 0 3 306.406 2.280 20 10 DECDHN Cc1ccc([C@H](C)[NH2+]CC2(O)CCC3(CC2)OCCO3)c([O-])c1 ZINC000903373014 643330665 /nfs/dbraw/zinc/33/06/65/643330665.db2.gz QZMNXNFSTOKVPC-AWEZNQCLSA-N 0 3 321.417 2.399 20 10 DECDHN C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ncc[nH]1 ZINC000903448189 643354655 /nfs/dbraw/zinc/35/46/55/643354655.db2.gz LWAOQEKCENEUQK-BBRMVZONSA-N 0 3 301.438 2.429 20 10 DECDHN COc1cc(Br)cc(C[N@H+](C)CCCCO)c1[O-] ZINC000788269799 643585713 /nfs/dbraw/zinc/58/57/13/643585713.db2.gz ROEOYHXIUQVFLK-UHFFFAOYSA-N 0 3 318.211 2.368 20 10 DECDHN COc1cc(Br)cc(C[N@@H+](C)CCCCO)c1[O-] ZINC000788269799 643585716 /nfs/dbraw/zinc/58/57/16/643585716.db2.gz ROEOYHXIUQVFLK-UHFFFAOYSA-N 0 3 318.211 2.368 20 10 DECDHN CCOc1ccc(C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c([O-])c1 ZINC000790618921 643873716 /nfs/dbraw/zinc/87/37/16/643873716.db2.gz LDINLIMRNIEBGK-XJKSGUPXSA-N 0 3 311.422 2.039 20 10 DECDHN COc1cccc(O)c1CN1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000790932333 643910915 /nfs/dbraw/zinc/91/09/15/643910915.db2.gz NTNOEKDGGWOYCP-AHIWAGSCSA-N 0 3 307.390 2.169 20 10 DECDHN CSC[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000793794791 644305048 /nfs/dbraw/zinc/30/50/48/644305048.db2.gz DEJIDKMVWDLMGX-IAQYHMDHSA-N 0 3 309.431 2.393 20 10 DECDHN CSC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000793794791 644305053 /nfs/dbraw/zinc/30/50/53/644305053.db2.gz DEJIDKMVWDLMGX-IAQYHMDHSA-N 0 3 309.431 2.393 20 10 DECDHN CCN1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C)C1 ZINC000910268416 645378235 /nfs/dbraw/zinc/37/82/35/645378235.db2.gz WWCWFIHSQKRKPU-GFCCVEGCSA-N 0 3 317.393 2.405 20 10 DECDHN CCCN1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000156965636 646478591 /nfs/dbraw/zinc/47/85/91/646478591.db2.gz ZEMXSGQMCMOUSM-UHFFFAOYSA-N 0 3 321.440 2.190 20 10 DECDHN C[C@H](CNCc1ccc(N2CCC(C)CC2)cc1)S(C)(=O)=O ZINC000819039422 647570187 /nfs/dbraw/zinc/57/01/87/647570187.db2.gz QEJKYDFTDMHWOS-OAHLLOKOSA-N 0 3 324.490 2.446 20 10 DECDHN CN(C[C@H](O)C[N@H+](C)Cc1ccccc1[O-])C(=O)OC(C)(C)C ZINC000822740058 648275320 /nfs/dbraw/zinc/27/53/20/648275320.db2.gz KZOSSFIBUYMPKW-CQSZACIVSA-N 0 3 324.421 2.052 20 10 DECDHN CN(C[C@H](O)C[N@@H+](C)Cc1ccccc1[O-])C(=O)OC(C)(C)C ZINC000822740058 648275324 /nfs/dbraw/zinc/27/53/24/648275324.db2.gz KZOSSFIBUYMPKW-CQSZACIVSA-N 0 3 324.421 2.052 20 10 DECDHN CN(C)CCN(C(=O)/C=C/c1ccc(O)c(O)c1)C1CCCC1 ZINC000181077141 648545273 /nfs/dbraw/zinc/54/52/73/648545273.db2.gz OFNDNWLTHAPGNM-CSKARUKUSA-N 0 3 318.417 2.444 20 10 DECDHN COc1cc(Cl)cc(C[N@H+](CCO)[C@H]2CCO[C@H]2C)c1[O-] ZINC000825130252 648708688 /nfs/dbraw/zinc/70/86/88/648708688.db2.gz QQULGZMDNBVHAM-GWCFXTLKSA-N 0 3 315.797 2.026 20 10 DECDHN COc1cc(Cl)cc(C[N@@H+](CCO)[C@H]2CCO[C@H]2C)c1[O-] ZINC000825130252 648708691 /nfs/dbraw/zinc/70/86/91/648708691.db2.gz QQULGZMDNBVHAM-GWCFXTLKSA-N 0 3 315.797 2.026 20 10 DECDHN [O-]c1c(C[NH+]2CCN([C@H]3CCOC3)CC2)ccc2ccccc21 ZINC000827120458 648975449 /nfs/dbraw/zinc/97/54/49/648975449.db2.gz SMCDBOAOLQXNCV-KRWDZBQOSA-N 0 3 312.413 2.452 20 10 DECDHN CCOc1ccc(C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)c([O-])c1 ZINC000827634079 649059754 /nfs/dbraw/zinc/05/97/54/649059754.db2.gz HRLYTYHINFJABO-CQSZACIVSA-N 0 3 318.417 2.235 20 10 DECDHN CCOc1ccc(C[N@H+]2CC[C@@H](CN3CCCC3=O)C2)c([O-])c1 ZINC000827634079 649059757 /nfs/dbraw/zinc/05/97/57/649059757.db2.gz HRLYTYHINFJABO-CQSZACIVSA-N 0 3 318.417 2.235 20 10 DECDHN COCCOC[C@H](O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000827813099 649089394 /nfs/dbraw/zinc/08/93/94/649089394.db2.gz KTHALZJGRIBKET-QGZVFWFLSA-N 0 3 323.433 2.161 20 10 DECDHN COCCOC[C@H](O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000827813099 649089396 /nfs/dbraw/zinc/08/93/96/649089396.db2.gz KTHALZJGRIBKET-QGZVFWFLSA-N 0 3 323.433 2.161 20 10 DECDHN Oc1cc2c(cc1CNCc1cccc3c1OCCO3)OCO2 ZINC000733332251 649546542 /nfs/dbraw/zinc/54/65/42/649546542.db2.gz USCFZBAZQUSFMP-UHFFFAOYSA-N 0 3 315.325 2.182 20 10 DECDHN COc1cccc([O-])c1C[NH2+]C[C@@]1(CO)CCc2ccccc21 ZINC000846010907 651301120 /nfs/dbraw/zinc/30/11/20/651301120.db2.gz KDRRADYNVOGBLT-LJQANCHMSA-N 0 3 313.397 2.367 20 10 DECDHN CCOc1ccc(C[NH2+]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000848561967 651471272 /nfs/dbraw/zinc/47/12/72/651471272.db2.gz FCIGTIIDLNBPPY-SOUVJXGZSA-N 0 3 322.449 2.378 20 10 DECDHN CCNC(=O)[C@@H](C)NCc1cc(OC)cc(C(C)(C)C)c1O ZINC000850011435 651802439 /nfs/dbraw/zinc/80/24/39/651802439.db2.gz WHSPUCCJJOKZSG-LLVKDONJSA-N 0 3 308.422 2.313 20 10 DECDHN CCn1nccc1CN[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850346120 651904822 /nfs/dbraw/zinc/90/48/22/651904822.db2.gz CQEHECDHQDDHRK-AWEZNQCLSA-N 0 3 300.406 2.280 20 10 DECDHN COc1cccc(CN[C@@H]2Cc3ccccc3N(C)C2=O)c1O ZINC000850352710 651907656 /nfs/dbraw/zinc/90/76/56/651907656.db2.gz FYWHMJKOPHKEKD-CQSZACIVSA-N 0 3 312.369 2.078 20 10 DECDHN COc1ccc(N2CCN(CC[C@H]3COC(C)(C)O3)CC2)cc1 ZINC000851714018 652213239 /nfs/dbraw/zinc/21/32/39/652213239.db2.gz KTGHAHSFWPJNMW-KRWDZBQOSA-N 0 3 320.433 2.359 20 10 DECDHN CN(Cc1ccc(N2CCOCC2)cc1)c1ccnc(CO)c1 ZINC000858327317 652307587 /nfs/dbraw/zinc/30/75/87/652307587.db2.gz OMHUQELAIIUEQO-UHFFFAOYSA-N 0 3 313.401 2.047 20 10 DECDHN CCOc1ccc(O)c(CN[C@@](C)(CO)c2cccc(O)c2)c1 ZINC000862432589 686302126 /nfs/dbraw/zinc/30/21/26/686302126.db2.gz JOMSQBAHOAVRCH-SFHVURJKSA-N 0 3 317.385 2.494 20 10 DECDHN C[C@H](N[C@@H]1COC[C@@H]1O)c1ccc(N2CCCCC2)c(F)c1 ZINC000866418120 687566442 /nfs/dbraw/zinc/56/64/42/687566442.db2.gz DZCJOWDLHHUYLP-MJEQTWJJSA-N 0 3 308.397 2.226 20 10 DECDHN COC(=O)c1ccc(CNCc2ccc3c(c2)CCO3)n1C ZINC000873034975 689145264 /nfs/dbraw/zinc/14/52/64/689145264.db2.gz AVUHFLCKANTZEA-UHFFFAOYSA-N 0 3 300.358 2.036 20 10 DECDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874825554 689500682 /nfs/dbraw/zinc/50/06/82/689500682.db2.gz PZVJXPLQDXNALI-ZIAGYGMSSA-N 0 3 315.377 2.158 20 10 DECDHN CC(C)N1CCC[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000931146280 694327437 /nfs/dbraw/zinc/32/74/37/694327437.db2.gz BXGAMNCCUQSICJ-MRXNPFEDSA-N 0 3 307.413 2.381 20 10 DECDHN COc1ccc(N2CCN([C@H]3CC[C@@H](OC)C3)CC2)c(OC)c1 ZINC000879461724 690646647 /nfs/dbraw/zinc/64/66/47/690646647.db2.gz HMUBTYKKHOQDIY-LSDHHAIUSA-N 0 3 320.433 2.393 20 10 DECDHN C[C@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)CN1CCN(C)CC1 ZINC000886522269 692100807 /nfs/dbraw/zinc/10/08/07/692100807.db2.gz GFFSPFVFDLDVMX-KGLIPLIRSA-N 0 3 309.429 2.065 20 10 DECDHN COc1ccc(N2CCN([C@@H]3CCO[C@@H](C)C3)CC2)c(OC)c1 ZINC001168142374 780228547 /nfs/dbraw/zinc/22/85/47/780228547.db2.gz KYRTUVUZXIWAEF-LSDHHAIUSA-N 0 3 320.433 2.393 20 10 DECDHN Oc1cc(O)c(CN2CC3(C2)CC(F)(F)CS3)c(O)c1 ZINC001144515013 790942417 /nfs/dbraw/zinc/94/24/17/790942417.db2.gz BGUHIRNEENHXDA-UHFFFAOYSA-N 0 3 303.330 2.130 20 10 DECDHN CN1CCc2cc(N3CCCc4ccc(CN)nc43)ccc2C1=O ZINC001169590967 785252271 /nfs/dbraw/zinc/25/22/71/785252271.db2.gz QKZMXJRRQVZPJX-UHFFFAOYSA-N 0 3 322.412 2.253 20 10 DECDHN CC(C)N1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009671190 785503706 /nfs/dbraw/zinc/50/37/06/785503706.db2.gz IBUFLKOEEUCUMR-CQSZACIVSA-N 0 3 317.393 2.452 20 10 DECDHN CC(C)CN(C(=O)c1cccc(O)c1[O-])[C@H]1CC[C@H]([NH3+])CC1 ZINC001148224646 791715093 /nfs/dbraw/zinc/71/50/93/791715093.db2.gz RKWIJBRGYFJPHG-JOCQHMNTSA-N 0 3 306.406 2.466 20 10 DECDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CC(=O)N(C(=O)OC(C)(C)C)C1 ZINC001171718546 793183037 /nfs/dbraw/zinc/18/30/37/793183037.db2.gz WIXXHUPTCXXOAO-ZDUSSCGKSA-N 0 3 320.389 2.360 20 10 DECDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CC(=O)N(C(=O)OC(C)(C)C)C1 ZINC001171718546 793183040 /nfs/dbraw/zinc/18/30/40/793183040.db2.gz WIXXHUPTCXXOAO-ZDUSSCGKSA-N 0 3 320.389 2.360 20 10 DECDHN [NH3+][C@H]1C[C@H](F)CN(Cc2c([O-])cccc2Br)C1 ZINC001206423708 795331547 /nfs/dbraw/zinc/33/15/47/795331547.db2.gz LOMUKPKWBSKEEZ-IUCAKERBSA-N 0 3 303.175 2.026 20 10 DECDHN CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204279291 795368837 /nfs/dbraw/zinc/36/88/37/795368837.db2.gz VZKLIVPMRQTIMR-LBPRGKRZSA-N 0 3 322.405 2.444 20 10 DECDHN CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204279291 795368845 /nfs/dbraw/zinc/36/88/45/795368845.db2.gz VZKLIVPMRQTIMR-LBPRGKRZSA-N 0 3 322.405 2.444 20 10 DECDHN Cc1nsc(N2CCCN(Cc3ccc(N)cc3)CC2)n1 ZINC001120263985 795431452 /nfs/dbraw/zinc/43/14/52/795431452.db2.gz YWVDTIZAAQBRGO-UHFFFAOYSA-N 0 3 303.435 2.141 20 10 DECDHN CC(=O)N1CCC2(C1)CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001140063079 796472332 /nfs/dbraw/zinc/47/23/32/796472332.db2.gz JUYURDHYHXEMCW-UHFFFAOYSA-N 0 3 306.381 2.366 20 10 DECDHN CCOC(=O)[C@H]1CN(Cc2c(C)ccc(C)c2O)CCS1 ZINC001140184595 796487701 /nfs/dbraw/zinc/48/77/01/796487701.db2.gz AXEWJWPOZLCNAY-CQSZACIVSA-N 0 3 309.431 2.490 20 10 DECDHN COc1cc(N2CCN(Cc3cc(C)ccc3O)CC2)ccn1 ZINC001140624383 796547085 /nfs/dbraw/zinc/54/70/85/796547085.db2.gz UPFCFSQIABZFNM-UHFFFAOYSA-N 0 3 313.401 2.426 20 10 DECDHN Cc1c(O)ccc(CN2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)c1O ZINC001140748896 796567720 /nfs/dbraw/zinc/56/77/20/796567720.db2.gz TYJUVWXFBASMPZ-ZMSDIMECSA-N 0 3 319.401 2.032 20 10 DECDHN Cc1ncc(CO)c(CN(C)Cc2ccc(N(C)C)cc2)c1O ZINC001140871073 796588062 /nfs/dbraw/zinc/58/80/62/796588062.db2.gz NDKOUJZZGTXMEL-UHFFFAOYSA-N 0 3 315.417 2.286 20 10 DECDHN CCOC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccc(C)cc1[O-])C2 ZINC001140948204 796605174 /nfs/dbraw/zinc/60/51/74/796605174.db2.gz YCVBYOZCYGCCOI-SJLPKXTDSA-N 0 3 319.401 2.245 20 10 DECDHN CCOC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1ccc(C)cc1[O-])C2 ZINC001140948204 796605178 /nfs/dbraw/zinc/60/51/78/796605178.db2.gz YCVBYOZCYGCCOI-SJLPKXTDSA-N 0 3 319.401 2.245 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@](F)(CO)CC2)c(OC)c1 ZINC001141031367 796621225 /nfs/dbraw/zinc/62/12/25/796621225.db2.gz DOANERGYOZIBMG-INIZCTEOSA-N 0 3 313.369 2.096 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CCC[C@@](F)(CO)CC2)c(OC)c1 ZINC001141031367 796621227 /nfs/dbraw/zinc/62/12/27/796621227.db2.gz DOANERGYOZIBMG-INIZCTEOSA-N 0 3 313.369 2.096 20 10 DECDHN COc1cc(O)c(CN2CC(N3CCCCC3)C2)c(OC)c1 ZINC001141029475 796621285 /nfs/dbraw/zinc/62/12/85/796621285.db2.gz TXBFWALDIYKICA-UHFFFAOYSA-N 0 3 306.406 2.080 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](c3nc(C)no3)C2)c(OC)c1 ZINC001141029661 796621551 /nfs/dbraw/zinc/62/15/51/796621551.db2.gz YUBLCUGVACFZRP-LLVKDONJSA-N 0 3 319.361 2.090 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](c3nc(C)no3)C2)c(OC)c1 ZINC001141029661 796621554 /nfs/dbraw/zinc/62/15/54/796621554.db2.gz YUBLCUGVACFZRP-LLVKDONJSA-N 0 3 319.361 2.090 20 10 DECDHN CN1CCOc2cc(CN3CCN(CC4CC4)CC3)ccc21 ZINC001141143082 796639010 /nfs/dbraw/zinc/63/90/10/796639010.db2.gz MKBJLFOYPDLOHJ-UHFFFAOYSA-N 0 3 301.434 2.043 20 10 DECDHN Cc1ccnc(OC2CCN(Cc3cc(O)ccc3O)CC2)n1 ZINC001141163320 796643673 /nfs/dbraw/zinc/64/36/73/796643673.db2.gz ZQDMGHCARRGDOW-UHFFFAOYSA-N 0 3 315.373 2.240 20 10 DECDHN Cc1cnc(OC2CCN(Cc3cc(O)ccc3O)CC2)nc1 ZINC001141163092 796643967 /nfs/dbraw/zinc/64/39/67/796643967.db2.gz OQBAOIBZYKSPQB-UHFFFAOYSA-N 0 3 315.373 2.240 20 10 DECDHN O=C([C@H]1CCCN(Cc2ccc(O)c(O)c2)C1)N1CCCCC1 ZINC001203879416 798198484 /nfs/dbraw/zinc/19/84/84/798198484.db2.gz QLFRNZGQBTUHBP-HNNXBMFYSA-N 0 3 318.417 2.322 20 10 DECDHN NCc1cc(NCc2cc(Br)ccc2O)ncn1 ZINC001160012399 798639711 /nfs/dbraw/zinc/63/97/11/798639711.db2.gz MVJKMUHGHBSCAY-UHFFFAOYSA-N 0 3 309.167 2.016 20 10 DECDHN CCN(CC)C(=O)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001203560892 800080356 /nfs/dbraw/zinc/08/03/56/800080356.db2.gz JOKVZVHSKGWSRB-UHFFFAOYSA-N 0 3 305.422 2.408 20 10 DECDHN CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3[O-])C[C@H]21 ZINC001203560839 800081235 /nfs/dbraw/zinc/08/12/35/800081235.db2.gz HJDUVUSURBDXDM-UONOGXRCSA-N 0 3 304.390 2.443 20 10 DECDHN CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3[O-])C[C@H]21 ZINC001203560839 800081245 /nfs/dbraw/zinc/08/12/45/800081245.db2.gz HJDUVUSURBDXDM-UONOGXRCSA-N 0 3 304.390 2.443 20 10 DECDHN COc1ccc(C[N@@H+]2CCC[C@H](Oc3cnccn3)C2)c([O-])c1 ZINC001203635194 800097601 /nfs/dbraw/zinc/09/76/01/800097601.db2.gz OEXRPKYLGYZLQI-HNNXBMFYSA-N 0 3 315.373 2.234 20 10 DECDHN COc1ccc(C[N@H+]2CCC[C@H](Oc3cnccn3)C2)c([O-])c1 ZINC001203635194 800097608 /nfs/dbraw/zinc/09/76/08/800097608.db2.gz OEXRPKYLGYZLQI-HNNXBMFYSA-N 0 3 315.373 2.234 20 10 DECDHN CCOC(=O)[C@H]1CCN(Cc2ccc(N(C)C)cc2)CCC1=O ZINC001203932730 800147916 /nfs/dbraw/zinc/14/79/16/800147916.db2.gz BBQDJRMUDHGZJG-INIZCTEOSA-N 0 3 318.417 2.097 20 10 DECDHN CCOC(=O)C1=C(O)CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC001203932730 800147919 /nfs/dbraw/zinc/14/79/19/800147919.db2.gz BBQDJRMUDHGZJG-INIZCTEOSA-N 0 3 318.417 2.097 20 10 DECDHN CC(=O)N1CCCC[C@@]12CCC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204273704 800197807 /nfs/dbraw/zinc/19/78/07/800197807.db2.gz FWWOBMIDRDKMKO-SFHVURJKSA-N 0 3 318.417 2.465 20 10 DECDHN CC(=O)N1CCCC[C@@]12CCC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204273704 800197811 /nfs/dbraw/zinc/19/78/11/800197811.db2.gz FWWOBMIDRDKMKO-SFHVURJKSA-N 0 3 318.417 2.465 20 10 DECDHN CC(C)N1CCC2(CC[NH+](Cc3ccc(O)cc3[O-])CC2)C1=O ZINC001204278118 800199100 /nfs/dbraw/zinc/19/91/00/800199100.db2.gz UPKAEIYNTWEVGH-UHFFFAOYSA-N 0 3 318.417 2.321 20 10 DECDHN C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccc(Cl)cc1[O-] ZINC001205414552 800354995 /nfs/dbraw/zinc/35/49/95/800354995.db2.gz JMDYRSFFUGSYAQ-GFCCVEGCSA-N 0 3 312.841 2.323 20 10 DECDHN C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1ccc(Cl)cc1[O-] ZINC001205414552 800355002 /nfs/dbraw/zinc/35/50/02/800355002.db2.gz JMDYRSFFUGSYAQ-GFCCVEGCSA-N 0 3 312.841 2.323 20 10 DECDHN CCN(CC)c1ccc(CN2CCNC[C@@H](F)C2)c(OC)c1 ZINC001210579825 801425252 /nfs/dbraw/zinc/42/52/52/801425252.db2.gz AZBTUGIFYXECLP-OAHLLOKOSA-N 0 3 309.429 2.285 20 10 DECDHN COC[C@H]1Cn2nccc2CN(Cc2cccc(C)c2O)C1 ZINC001231592290 801692011 /nfs/dbraw/zinc/69/20/11/801692011.db2.gz GHXFYAQHIHNYSD-CQSZACIVSA-N 0 3 301.390 2.176 20 10 DECDHN C[C@@H]1C[C@H](Oc2cccc3c2C(=O)c2c([O-])cccc2C3=O)C[NH2+]1 ZINC001218044353 802136674 /nfs/dbraw/zinc/13/66/74/802136674.db2.gz AWGWEAKUKLJLHQ-MNOVXSKESA-N 0 3 323.348 2.297 20 10 DECDHN Cc1cc(O[C@H]2C[NH2+][C@H]2C)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001218384282 802175237 /nfs/dbraw/zinc/17/52/37/802175237.db2.gz IXAUGCAYYNPXLO-BONVTDFDSA-N 0 3 323.348 2.215 20 10 DECDHN O=C(NCc1cc(Cl)c2cccnc2c1[O-])C1CC[NH2+]CC1 ZINC001220212814 802427093 /nfs/dbraw/zinc/42/70/93/802427093.db2.gz XLJYMYPZGJAVFV-UHFFFAOYSA-N 0 3 319.792 2.210 20 10 DECDHN CCN1CCC[C@@H](NCc2ccc(N3CCCC3)cc2)C1=O ZINC001334232837 1150240318 /nfs/dbraw/zinc/24/03/18/1150240318.db2.gz LZAKQKRQJBORID-QGZVFWFLSA-N 0 3 301.434 2.387 20 10 DECDHN COc1ccc(CN[C@H](CO)c2ccccc2)c(O)c1OC ZINC001342945914 1150632219 /nfs/dbraw/zinc/63/22/19/1150632219.db2.gz BEQYOXVINOFLHS-CQSZACIVSA-N 0 3 303.358 2.233 20 10 DECDHN CCO/C=C/C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001603555406 1069986861 /nfs/dbraw/zinc/98/68/61/1069986861.db2.gz PWDBKKZUDZOOAY-LPQFERQCSA-N 0 3 305.422 2.022 20 10 DECDHN COc1cc(C)c(C[NH+]2CCC(Cn3cncn3)CC2)c([O-])c1 ZINC001462130405 1058763807 /nfs/dbraw/zinc/76/38/07/1058763807.db2.gz VHUFAYFIDRCBRP-UHFFFAOYSA-N 0 3 316.405 2.213 20 10 DECDHN COc1ccc(N2CC[C@H](CNCc3nn(C)cc3C)C2)cc1 ZINC001474187315 1060831276 /nfs/dbraw/zinc/83/12/76/1060831276.db2.gz HXRRMOXIAFBHGV-OAHLLOKOSA-N 0 3 314.433 2.353 20 10 DECDHN CCOCCO[C@H]1CC[N@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001621126020 1078169951 /nfs/dbraw/zinc/16/99/51/1078169951.db2.gz KMZQUGJLLKHFSA-AWEZNQCLSA-N 0 3 309.406 2.337 20 10 DECDHN CCOCCO[C@H]1CC[N@@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001621126020 1078169956 /nfs/dbraw/zinc/16/99/56/1078169956.db2.gz KMZQUGJLLKHFSA-AWEZNQCLSA-N 0 3 309.406 2.337 20 10 DECDHN CN1CCN(CCC[N@H+](C)Cc2ccc(Cl)cc2[O-])CC1 ZINC001621312305 1078173023 /nfs/dbraw/zinc/17/30/23/1078173023.db2.gz LWVCKLPNGOAICO-UHFFFAOYSA-N 0 3 311.857 2.115 20 10 DECDHN CN1CCN(CCC[N@@H+](C)Cc2ccc(Cl)cc2[O-])CC1 ZINC001621312305 1078173025 /nfs/dbraw/zinc/17/30/25/1078173025.db2.gz LWVCKLPNGOAICO-UHFFFAOYSA-N 0 3 311.857 2.115 20 10 DECDHN CC[C@@H](F)CN[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001266996392 1078487680 /nfs/dbraw/zinc/48/76/80/1078487680.db2.gz OXYBUNKWYZISMJ-ZYHUDNBSSA-N 0 3 323.372 2.305 20 10 DECDHN COc1ccc(C[N@@H+]2CCC[C@@]3(CCN(C)C3=O)CC2)c([O-])c1 ZINC001272625238 1079019473 /nfs/dbraw/zinc/01/94/73/1079019473.db2.gz JAGDQEHWDUVFCQ-GOSISDBHSA-N 0 3 318.417 2.235 20 10 DECDHN COc1ccc(C[N@H+]2CCC[C@@]3(CCN(C)C3=O)CC2)c([O-])c1 ZINC001272625238 1079019478 /nfs/dbraw/zinc/01/94/78/1079019478.db2.gz JAGDQEHWDUVFCQ-GOSISDBHSA-N 0 3 318.417 2.235 20 10 DECDHN CCOC(=O)[C@H]1CCN(Cc2ccc(C)cc2O)CCC1=O ZINC001140949721 1079255651 /nfs/dbraw/zinc/25/56/51/1079255651.db2.gz JPQHLORMJNAIRY-AWEZNQCLSA-N 0 3 305.374 2.045 20 10 DECDHN COc1cc(C)c(CN2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c(O)c1 ZINC001652362095 1079873265 /nfs/dbraw/zinc/87/32/65/1079873265.db2.gz XOGRPVUHKIIMQW-DEYYWGMASA-N 0 3 321.417 2.478 20 10 DECDHN CN(C)C(=O)[C@H]1CCC[C@]12CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001277192785 1083839238 /nfs/dbraw/zinc/83/92/38/1083839238.db2.gz TTYGBGFPVJJLIQ-CRAIPNDOSA-N 0 3 318.417 2.178 20 10 DECDHN CN(C)C(=O)[C@H]1CCC[C@]12CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001277192785 1083839246 /nfs/dbraw/zinc/83/92/46/1083839246.db2.gz TTYGBGFPVJJLIQ-CRAIPNDOSA-N 0 3 318.417 2.178 20 10 DECDHN CCN1CCN(c2ccc(O[C@H](C[N+](=O)[O-])C3CC3)cc2)CC1 ZINC001234658087 1084190798 /nfs/dbraw/zinc/19/07/98/1084190798.db2.gz TVXCDDRFQYXWKR-QGZVFWFLSA-N 0 3 319.405 2.263 20 10 DECDHN Cc1cc([O-])c(CN2CC[C@H]3[NH2+]CC[C@H]32)cc1Br ZINC001235081850 1084302009 /nfs/dbraw/zinc/30/20/09/1084302009.db2.gz KHFCWBHPYLYUPR-CHWSQXEVSA-N 0 3 311.223 2.399 20 10 DECDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@@](C)(CO)[C@@H](O)C2)c([O-])c1 ZINC001235674474 1084496689 /nfs/dbraw/zinc/49/66/89/1084496689.db2.gz GHOQLAYAAGZRTH-WMZOPIPTSA-N 0 3 307.434 2.255 20 10 DECDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@@](C)(CO)[C@@H](O)C2)c([O-])c1 ZINC001235674474 1084496695 /nfs/dbraw/zinc/49/66/95/1084496695.db2.gz GHOQLAYAAGZRTH-WMZOPIPTSA-N 0 3 307.434 2.255 20 10 DECDHN [O-]c1cccc(Br)c1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000707129954 1086659990 /nfs/dbraw/zinc/65/99/90/1086659990.db2.gz WAFSKNYXNVPJMX-NSHDSACASA-N 0 3 311.223 2.435 20 10 DECDHN [O-]c1cccc(Br)c1CN1CC[N@H+]2CCC[C@H]2C1 ZINC000707129954 1086660001 /nfs/dbraw/zinc/66/00/01/1086660001.db2.gz WAFSKNYXNVPJMX-NSHDSACASA-N 0 3 311.223 2.435 20 10 DECDHN CC(C)NC(=O)N1CC2(C1)CC[NH+](Cc1ccccc1[O-])CC2 ZINC001275267329 1091644921 /nfs/dbraw/zinc/64/49/21/1091644921.db2.gz LRCHJJZMJXJVNA-UHFFFAOYSA-N 0 3 317.433 2.408 20 10 DECDHN CN1CCO[C@H]2CN(Cc3cccc(C(C)(C)C)c3O)C[C@@H]21 ZINC001275798536 1092151404 /nfs/dbraw/zinc/15/14/04/1092151404.db2.gz HVINVHNRMLXDPE-HOTGVXAUSA-N 0 3 304.434 2.205 20 10 DECDHN CCc1ccc(CN2Cc3cn(C)nc3[C@H](COC)C2)c(O)c1 ZINC001236787972 1138428265 /nfs/dbraw/zinc/42/82/65/1138428265.db2.gz XLEAMRNBNKIYPP-INIZCTEOSA-N 0 3 315.417 2.434 20 10 DECDHN CCc1ccc(C[NH+]2CCC3(CC(=O)N(C)C3)CC2)c([O-])c1 ZINC001236789240 1138428838 /nfs/dbraw/zinc/42/88/38/1138428838.db2.gz TVHSRDVOFYNXHB-UHFFFAOYSA-N 0 3 302.418 2.399 20 10 DECDHN C[C@H]1C[C@@H](CO)N(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236921046 1138456776 /nfs/dbraw/zinc/45/67/76/1138456776.db2.gz CKWCYUWDVWYNCR-BBRMVZONSA-N 0 3 324.852 2.379 20 10 DECDHN CCOc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C(=O)OC)C2)c([O-])c1 ZINC001237041949 1138486464 /nfs/dbraw/zinc/48/64/64/1138486464.db2.gz AXRNNZKALDSVIG-OCCSQVGLSA-N 0 3 307.390 2.422 20 10 DECDHN CCOc1ccc(C[N@H+]2C[C@H](C)C[C@H](C(=O)OC)C2)c([O-])c1 ZINC001237041949 1138486468 /nfs/dbraw/zinc/48/64/68/1138486468.db2.gz AXRNNZKALDSVIG-OCCSQVGLSA-N 0 3 307.390 2.422 20 10 DECDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CCC[C@@H](O)C1 ZINC001237050474 1138489256 /nfs/dbraw/zinc/48/92/56/1138489256.db2.gz BTROXJVVOYYWDK-LLVKDONJSA-N 0 3 305.296 2.290 20 10 DECDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCC[C@@H](O)C1 ZINC001237050474 1138489261 /nfs/dbraw/zinc/48/92/61/1138489261.db2.gz BTROXJVVOYYWDK-LLVKDONJSA-N 0 3 305.296 2.290 20 10 DECDHN COc1cc(CN2CC[C@@H]3CCCO[C@H]3C2)c(O)c(OC)c1 ZINC001237670545 1138747346 /nfs/dbraw/zinc/74/73/46/1138747346.db2.gz SULPOZRFJKOULP-LRDDRELGSA-N 0 3 307.390 2.410 20 10 DECDHN COC(=O)[C@H]1CCCN(Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237683736 1138756029 /nfs/dbraw/zinc/75/60/29/1138756029.db2.gz JTPYEOWTLLTUNC-LBPRGKRZSA-N 0 3 323.389 2.185 20 10 DECDHN COC(=O)Cc1ccc(C[N@@H+]2CC(C)(C)C[C@@]2(C)CO)c([O-])c1 ZINC001249177618 1141857367 /nfs/dbraw/zinc/85/73/67/1141857367.db2.gz GCNDAJSYLNWFKA-SFHVURJKSA-N 0 3 321.417 2.091 20 10 DECDHN COC(=O)Cc1ccc(C[N@H+]2CC(C)(C)C[C@@]2(C)CO)c([O-])c1 ZINC001249177618 1141857368 /nfs/dbraw/zinc/85/73/68/1141857368.db2.gz GCNDAJSYLNWFKA-SFHVURJKSA-N 0 3 321.417 2.091 20 10 DECDHN CCO[C@H]1CCC[N@H+](Cc2ccc(CC(=O)OC)cc2[O-])C1 ZINC001249201055 1141858882 /nfs/dbraw/zinc/85/88/82/1141858882.db2.gz CCKSBSQUHOSHBC-HNNXBMFYSA-N 0 3 307.390 2.109 20 10 DECDHN CCO[C@H]1CCC[N@@H+](Cc2ccc(CC(=O)OC)cc2[O-])C1 ZINC001249201055 1141858884 /nfs/dbraw/zinc/85/88/84/1141858884.db2.gz CCKSBSQUHOSHBC-HNNXBMFYSA-N 0 3 307.390 2.109 20 10 DECDHN CNC(=O)CC[N@H+](C)Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001249244409 1141864045 /nfs/dbraw/zinc/86/40/45/1141864045.db2.gz FSKWDFNSUDFURB-UHFFFAOYSA-N 0 3 304.390 2.144 20 10 DECDHN CNC(=O)CC[N@@H+](C)Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001249244409 1141864048 /nfs/dbraw/zinc/86/40/48/1141864048.db2.gz FSKWDFNSUDFURB-UHFFFAOYSA-N 0 3 304.390 2.144 20 10 DECDHN [NH3+][C@H](Cc1nc(-c2cccn3ccnc23)no1)c1ccccc1[O-] ZINC001249338411 1141876971 /nfs/dbraw/zinc/87/69/71/1141876971.db2.gz DMZVMQSNOXDDAO-CYBMUJFWSA-N 0 3 321.340 2.332 20 10 DECDHN COc1ccncc1-c1noc(C[C@@H]([NH3+])c2ccccc2[O-])n1 ZINC001249339747 1141877106 /nfs/dbraw/zinc/87/71/06/1141877106.db2.gz SGFRCFBYVVDQBP-GFCCVEGCSA-N 0 3 312.329 2.088 20 10 DECDHN Cc1cc(CN2C[C@H](O)C[C@H]2C)c(O)cc1Br ZINC001250120487 1142084701 /nfs/dbraw/zinc/08/47/01/1142084701.db2.gz FTYMYHJFJRIMSL-MWLCHTKSSA-N 0 3 300.196 2.418 20 10 DECDHN COc1ccc(N2CCN(CC3(OC)CCC3)CC2)c(OC)c1 ZINC001336757652 1142561714 /nfs/dbraw/zinc/56/17/14/1142561714.db2.gz JXMDMYHZPMHAAT-UHFFFAOYSA-N 0 3 320.433 2.395 20 10 DECDHN [O-]c1cccc2c1C[N@H+](C[C@@H](O)COCc1ccccc1)CC2 ZINC001252285111 1142673732 /nfs/dbraw/zinc/67/37/32/1142673732.db2.gz UROQXPZEJUOMOU-QGZVFWFLSA-N 0 3 313.397 2.328 20 10 DECDHN [O-]c1cccc2c1C[N@@H+](C[C@@H](O)COCc1ccccc1)CC2 ZINC001252285111 1142673738 /nfs/dbraw/zinc/67/37/38/1142673738.db2.gz UROQXPZEJUOMOU-QGZVFWFLSA-N 0 3 313.397 2.328 20 10 DECDHN CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(O)cc1[O-])C2 ZINC001255182575 1143473248 /nfs/dbraw/zinc/47/32/48/1143473248.db2.gz FZDXJIVXBQCMDU-BTTYYORXSA-N 0 3 320.389 2.339 20 10 DECDHN CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(O)c1[O-])C2 ZINC001255194682 1143484299 /nfs/dbraw/zinc/48/42/99/1143484299.db2.gz MZGCCDOUYDRQKH-ZSOGYDGISA-N 0 3 320.389 2.339 20 10 DECDHN COCCOc1ccc(N2CCN([C@H]3CCSC3)CC2)cc1 ZINC001255291983 1143549571 /nfs/dbraw/zinc/54/95/71/1143549571.db2.gz CIFLACSWMQCPLY-INIZCTEOSA-N 0 3 322.474 2.339 20 10 DECDHN CCOc1ccc(C[NH2+]Cc2c(C)c(C)n[nH]c2=O)c([O-])c1 ZINC001341793487 1143708185 /nfs/dbraw/zinc/70/81/85/1143708185.db2.gz JMBZLTYZKQCVJS-UHFFFAOYSA-N 0 3 303.362 2.193 20 10 DECDHN O[C@H]1COC[C@H]1NCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001308484495 1147474847 /nfs/dbraw/zinc/47/48/47/1147474847.db2.gz RRJFIJKWUHQKDG-QUCCMNQESA-N 0 3 324.424 2.099 20 10 DECDHN C[C@@H](CCN1CCN(C)CC1)[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001308708344 1147483327 /nfs/dbraw/zinc/48/33/27/1147483327.db2.gz BTTDNPVBGRARGX-ZDUSSCGKSA-N 0 3 311.857 2.161 20 10 DECDHN COc1cc(C)c(C[NH2+]CCC(C)(C)S(C)(=O)=O)c([O-])c1 ZINC001308821200 1147487360 /nfs/dbraw/zinc/48/73/60/1147487360.db2.gz PRZBVIBCUGWOKD-UHFFFAOYSA-N 0 3 315.435 2.012 20 10 DECDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H](C3CC3)C2)cc1 ZINC000378315364 529779933 /nfs/dbraw/zinc/77/99/33/529779933.db2.gz IQZMWZHVJRDTSG-KRWDZBQOSA-N 0 3 315.461 2.443 20 10 DECDHN CCOc1ccc([O-])c(C[NH+]2CCC(Cn3ccnn3)CC2)c1 ZINC000092098791 193158052 /nfs/dbraw/zinc/15/80/52/193158052.db2.gz LJTWVEMVAPLEMR-UHFFFAOYSA-N 0 3 316.405 2.295 20 10 DECDHN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H](C)N(C)C ZINC000454877375 246216992 /nfs/dbraw/zinc/21/69/92/246216992.db2.gz QOJQXASYXDHVKU-LBPRGKRZSA-N 0 3 302.422 2.236 20 10 DECDHN CC(C)[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)N(C)C ZINC000106434882 194213022 /nfs/dbraw/zinc/21/30/22/194213022.db2.gz LZLVXAFUVGXWGQ-QGZVFWFLSA-N 0 3 303.450 2.271 20 10 DECDHN COc1ccc(CNCCC(=O)NCc2cccnc2)cc1C ZINC000065935606 184383066 /nfs/dbraw/zinc/38/30/66/184383066.db2.gz XKQKOGNEJHXIOC-UHFFFAOYSA-N 0 3 313.401 2.195 20 10 DECDHN COc1cccc(CN2CCCC[C@@H]2C(=O)N2CCCC2)c1O ZINC000371420424 533476870 /nfs/dbraw/zinc/47/68/70/533476870.db2.gz XDKXSEDJLNBEFP-OAHLLOKOSA-N 0 3 318.417 2.378 20 10 DECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CCC(NC(C)=O)CC2)c1 ZINC000273620697 130145764 /nfs/dbraw/zinc/14/57/64/130145764.db2.gz YZSNPLNINDGRPF-LMWSTFAQSA-N 0 3 306.406 2.499 20 10 DECDHN Cc1ccc(O)c(CNCc2cccc(N3CCOCC3)n2)c1 ZINC000274736675 130257286 /nfs/dbraw/zinc/25/72/86/130257286.db2.gz BXDZRZBESOSSDY-UHFFFAOYSA-N 0 3 313.401 2.222 20 10 DECDHN Cc1cccc(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1[O-] ZINC000275150120 130295882 /nfs/dbraw/zinc/29/58/82/130295882.db2.gz SAOQNNAMYXTCLT-LBPRGKRZSA-N 0 3 316.323 2.201 20 10 DECDHN Cc1cccc(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1[O-] ZINC000275150120 130295888 /nfs/dbraw/zinc/29/58/88/130295888.db2.gz SAOQNNAMYXTCLT-LBPRGKRZSA-N 0 3 316.323 2.201 20 10 DECDHN CN(C)c1ccc(CN[C@H]2CCCO[C@@H]2c2cnn(C)c2)cc1 ZINC000275528766 130329554 /nfs/dbraw/zinc/32/95/54/130329554.db2.gz LQAGQEHUHQXABS-ZWKOTPCHSA-N 0 3 314.433 2.496 20 10 DECDHN CCN1CCCC[C@@H]1CNC(=O)NCc1cccc(OC)c1O ZINC000074169685 401732373 /nfs/dbraw/zinc/73/23/73/401732373.db2.gz DUIYPCCRGPEUAW-CQSZACIVSA-N 0 3 321.421 2.074 20 10 DECDHN [O-]c1cccc(Cl)c1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000119528356 401956619 /nfs/dbraw/zinc/95/66/19/401956619.db2.gz DGQUOFDNMWXWSZ-UHFFFAOYSA-N 0 3 323.868 2.259 20 10 DECDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c1[O-] ZINC000184700601 402293195 /nfs/dbraw/zinc/29/31/95/402293195.db2.gz OHMQEBFKYSIXGJ-JTQLQIEISA-N 0 3 312.797 2.142 20 10 DECDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CC(N)=O)C2)c1[O-] ZINC000184700601 402293198 /nfs/dbraw/zinc/29/31/98/402293198.db2.gz OHMQEBFKYSIXGJ-JTQLQIEISA-N 0 3 312.797 2.142 20 10 DECDHN O=C1OCC[C@H]1CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000246294897 402523526 /nfs/dbraw/zinc/52/35/26/402523526.db2.gz AQBXFLOIKJPVES-GDBMZVCRSA-N 0 3 319.401 2.326 20 10 DECDHN O=C1OCC[C@H]1CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000246294897 402523529 /nfs/dbraw/zinc/52/35/29/402523529.db2.gz AQBXFLOIKJPVES-GDBMZVCRSA-N 0 3 319.401 2.326 20 10 DECDHN Cc1ccc(C(=O)NC2CC[NH+](CC(C)C)CC2)c([O-])c1O ZINC000179479853 402591604 /nfs/dbraw/zinc/59/16/04/402591604.db2.gz MGKKOSAIVVRJBW-UHFFFAOYSA-N 0 3 306.406 2.256 20 10 DECDHN COc1cc([O-])c(C[N@H+](CC2CCC2)[C@H](C)CO)cc1OC ZINC000289586405 286239017 /nfs/dbraw/zinc/23/90/17/286239017.db2.gz UIQPYSDLTGZCGZ-GFCCVEGCSA-N 0 3 309.406 2.392 20 10 DECDHN COc1cc([O-])c(C[N@@H+](CC2CCC2)[C@H](C)CO)cc1OC ZINC000289586405 286239018 /nfs/dbraw/zinc/23/90/18/286239018.db2.gz UIQPYSDLTGZCGZ-GFCCVEGCSA-N 0 3 309.406 2.392 20 10 DECDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)c1 ZINC000183240967 402749535 /nfs/dbraw/zinc/74/95/35/402749535.db2.gz NPQGQCFGHPKEOG-AWEZNQCLSA-N 0 3 307.390 2.376 20 10 DECDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H](C3(C)OCCO3)C2)c1 ZINC000183240967 402749539 /nfs/dbraw/zinc/74/95/39/402749539.db2.gz NPQGQCFGHPKEOG-AWEZNQCLSA-N 0 3 307.390 2.376 20 10 DECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC(C)(C)N2CCOCC2)c1 ZINC000192910536 402756430 /nfs/dbraw/zinc/75/64/30/402756430.db2.gz ARGSRUDTRFHDQC-CYBMUJFWSA-N 0 3 308.422 2.162 20 10 DECDHN CS(=O)(=O)C1(CNCc2ccc(N3CCCCC3)cc2)CC1 ZINC000279789859 402962307 /nfs/dbraw/zinc/96/23/07/402962307.db2.gz MFOSRYGBORBPGD-UHFFFAOYSA-N 0 3 322.474 2.344 20 10 DECDHN CCCOc1ccc(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c([O-])c1 ZINC000281216163 403060637 /nfs/dbraw/zinc/06/06/37/403060637.db2.gz KANKUVMMICXGPT-HIFRSBDPSA-N 0 3 320.389 2.111 20 10 DECDHN CCCOc1ccc(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c([O-])c1 ZINC000281216163 403060640 /nfs/dbraw/zinc/06/06/40/403060640.db2.gz KANKUVMMICXGPT-HIFRSBDPSA-N 0 3 320.389 2.111 20 10 DECDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])[C@@H]1OC ZINC000274944661 403097701 /nfs/dbraw/zinc/09/77/01/403097701.db2.gz RCDDPXCZXNSAOU-LNSITVRQSA-N 0 3 315.797 2.336 20 10 DECDHN CC[C@@H](COC)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000268803265 403115615 /nfs/dbraw/zinc/11/56/15/403115615.db2.gz BQOZJAFTVKNIHV-AWEZNQCLSA-N 0 3 310.413 2.301 20 10 DECDHN Cc1cccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c1[O-] ZINC000282980930 403164107 /nfs/dbraw/zinc/16/41/07/403164107.db2.gz JIIYOTOFKQGYHD-WBVHZDCISA-N 0 3 305.418 2.358 20 10 DECDHN OC[C@H](C[C@H](O)c1ccccc1)NCc1ccc2c(c1)CCO2 ZINC000269978830 403178088 /nfs/dbraw/zinc/17/80/88/403178088.db2.gz ZTSCGYTYXWJQFK-ROUUACIJSA-N 0 3 313.397 2.196 20 10 DECDHN COc1ccc([O-])c(C[N@H+](CCC(N)=O)Cc2ccccc2)c1 ZINC000179629712 286338010 /nfs/dbraw/zinc/33/80/10/286338010.db2.gz HGFFZWPAAGTLAP-UHFFFAOYSA-N 0 3 314.385 2.278 20 10 DECDHN COc1ccc([O-])c(C[N@@H+](CCC(N)=O)Cc2ccccc2)c1 ZINC000179629712 286338013 /nfs/dbraw/zinc/33/80/13/286338013.db2.gz HGFFZWPAAGTLAP-UHFFFAOYSA-N 0 3 314.385 2.278 20 10 DECDHN COc1ccc(O)c(CN(CCC(N)=O)Cc2ccccc2)c1 ZINC000179629712 286338015 /nfs/dbraw/zinc/33/80/15/286338015.db2.gz HGFFZWPAAGTLAP-UHFFFAOYSA-N 0 3 314.385 2.278 20 10 DECDHN CCOc1ccc([O-])c(C[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c1 ZINC000289947974 404011759 /nfs/dbraw/zinc/01/17/59/404011759.db2.gz YPWOCJLUALZNGV-GDBMZVCRSA-N 0 3 320.433 2.086 20 10 DECDHN CCOc1ccc([O-])c(C[N@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c1 ZINC000289947974 404011762 /nfs/dbraw/zinc/01/17/62/404011762.db2.gz YPWOCJLUALZNGV-GDBMZVCRSA-N 0 3 320.433 2.086 20 10 DECDHN COCCOC1(C[NH2+][C@@H](C)c2ccccc2[O-])CCOCC1 ZINC000296433164 404245532 /nfs/dbraw/zinc/24/55/32/404245532.db2.gz LZFNNWYHGLVTKX-AWEZNQCLSA-N 0 3 309.406 2.255 20 10 DECDHN CCc1nn(C)c(OC)c1CN[C@@H]1CCc2cccc(O)c21 ZINC000296954316 404388473 /nfs/dbraw/zinc/38/84/73/404388473.db2.gz QWVCWXIOFYPIAL-CQSZACIVSA-N 0 3 301.390 2.474 20 10 DECDHN COc1cc(O)c(CN2CCC(n3cccn3)CC2)cc1OC ZINC000371366254 227069401 /nfs/dbraw/zinc/06/94/01/227069401.db2.gz KQEQDDGFFDSWTH-UHFFFAOYSA-N 0 3 317.389 2.443 20 10 DECDHN Cn1nccc1N1CCC[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000296626107 303067275 /nfs/dbraw/zinc/06/72/75/303067275.db2.gz ZNWJNLXQMBREPW-LSDHHAIUSA-N 0 3 312.417 2.372 20 10 DECDHN COCC1(O)CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835026924 649867916 /nfs/dbraw/zinc/86/79/16/649867916.db2.gz YYBICNPHTDBTCO-SNAWJCMRSA-N 0 3 304.434 2.239 20 10 DECDHN CNC(=O)C1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835026255 649867984 /nfs/dbraw/zinc/86/79/84/649867984.db2.gz SUYXWTSGZVZKRU-SNAWJCMRSA-N 0 3 301.434 2.224 20 10 DECDHN C[C@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1cc(F)ccc1[O-] ZINC000371917463 533986532 /nfs/dbraw/zinc/98/65/32/533986532.db2.gz GBXJNBZTFDMCDJ-XHDPSFHLSA-N 0 3 319.380 2.448 20 10 DECDHN COc1ccc(O)c(CN2CCC(c3noc(C)n3)CC2)c1 ZINC000375011489 534199611 /nfs/dbraw/zinc/19/96/11/534199611.db2.gz GGMITDRLVRASPG-UHFFFAOYSA-N 0 3 303.362 2.472 20 10 DECDHN C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCN(C2CC2)C1 ZINC000295746383 534274267 /nfs/dbraw/zinc/27/42/67/534274267.db2.gz UFVNVEFETLCXJE-MXPWBENCSA-N 0 3 316.401 2.054 20 10 DECDHN CN(C)c1ccc(CNC(=O)[C@H](CN)c2ccccc2)cc1F ZINC000237084630 522203228 /nfs/dbraw/zinc/20/32/28/522203228.db2.gz WJPUNVZXFVLGFP-OAHLLOKOSA-N 0 3 315.392 2.250 20 10 DECDHN Cc1cc(Br)cc(CN2CC[C@](C)(O)C2)c1O ZINC000180633969 526157242 /nfs/dbraw/zinc/15/72/42/526157242.db2.gz UONZPZKGSWHVED-ZDUSSCGKSA-N 0 3 300.196 2.420 20 10 DECDHN CCOc1cccc(C[NH2+]CCc2cn3c(n2)SCC3)c1[O-] ZINC000274262585 535458597 /nfs/dbraw/zinc/45/85/97/535458597.db2.gz NTXSVAAICPUPMW-UHFFFAOYSA-N 0 3 319.430 2.425 20 10 DECDHN C[C@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)N1CCCC1 ZINC000835053324 649872316 /nfs/dbraw/zinc/87/23/16/649872316.db2.gz VPKLWFXJEHVXQL-LFAOLKIESA-N 0 3 301.434 2.366 20 10 DECDHN Cc1cc(Br)cc(C[NH2+]Cc2cncn2C)c1[O-] ZINC000291507508 625508825 /nfs/dbraw/zinc/50/88/25/625508825.db2.gz HZNHYPRGEMXFTO-UHFFFAOYSA-N 0 3 310.195 2.486 20 10 DECDHN CC[C@H](C)OCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251060 623797644 /nfs/dbraw/zinc/79/76/44/623797644.db2.gz CRFINMNLSKFUIV-WMLDXEAASA-N 0 3 321.465 2.287 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCCO2)N(C)C)cc1 ZINC000891253095 623799518 /nfs/dbraw/zinc/79/95/18/623799518.db2.gz QLYSPUDUVVSWMT-IRXDYDNUSA-N 0 3 319.449 2.041 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)Cc2ccco2)N(C)C)cc1 ZINC000891253184 623799554 /nfs/dbraw/zinc/79/95/54/623799554.db2.gz RHXIENOOHMHIAP-QGZVFWFLSA-N 0 3 315.417 2.307 20 10 DECDHN CCN(CC)c1ccc(CN[C@@H]2CCS(=O)(=O)[C@@H]2C)cc1 ZINC000314287370 625809581 /nfs/dbraw/zinc/80/95/81/625809581.db2.gz KUNBDMKRBCMQKM-CZUORRHYSA-N 0 3 310.463 2.198 20 10 DECDHN C[C@@H]1CN[C@@H](C)CN1C(=O)NCCCSc1nccs1 ZINC000841856662 636929238 /nfs/dbraw/zinc/92/92/38/636929238.db2.gz JZCVEAUGSSLKBE-WDEREUQCSA-N 0 3 314.480 2.017 20 10 DECDHN CCn1cc(CN[C@H](C)Cc2ccc(N(C)C)cc2C)nn1 ZINC000894940601 637341069 /nfs/dbraw/zinc/34/10/69/637341069.db2.gz UMVISIOHLHQEQT-CQSZACIVSA-N 0 3 301.438 2.393 20 10 DECDHN Cc1cc(N(C)C)ccc1CN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000840914180 650379810 /nfs/dbraw/zinc/37/98/10/650379810.db2.gz RBACWRPWZXIHNI-MOPGFXCFSA-N 0 3 317.477 2.092 20 10 DECDHN COC(=O)[C@@H]1CCN(Cc2ccc(OC)c(OC)c2O)C[C@@H]1C ZINC000895436368 638022595 /nfs/dbraw/zinc/02/25/95/638022595.db2.gz PUFNERNHRBCIGK-WCQYABFASA-N 0 3 323.389 2.040 20 10 DECDHN CCOc1cccc(CN2CCNC(=O)CC23CCC3)c1O ZINC000895928157 638270869 /nfs/dbraw/zinc/27/08/69/638270869.db2.gz IWVUUOZTSTZMMA-UHFFFAOYSA-N 0 3 304.390 2.036 20 10 DECDHN Cc1ccc(C[N@@H+]2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)c([O-])c1 ZINC000896398816 638502647 /nfs/dbraw/zinc/50/26/47/638502647.db2.gz WVHGPRPEXJHNAK-PBHICJAKSA-N 0 3 304.390 2.411 20 10 DECDHN Cc1ccc(C[N@H+]2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)c([O-])c1 ZINC000896398816 638502659 /nfs/dbraw/zinc/50/26/59/638502659.db2.gz WVHGPRPEXJHNAK-PBHICJAKSA-N 0 3 304.390 2.411 20 10 DECDHN C[C@H]([NH2+]Cc1ccc(-n2cncn2)nc1)c1cc(F)ccc1[O-] ZINC000756432802 639661904 /nfs/dbraw/zinc/66/19/04/639661904.db2.gz UIYLHXODWUKLFS-NSHDSACASA-N 0 3 313.336 2.358 20 10 DECDHN COCCN1CC[C@H]([NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)C1 ZINC000756552132 639673080 /nfs/dbraw/zinc/67/30/80/639673080.db2.gz LTUXXXQZUCCJOE-DYEKYZERSA-N 0 3 308.397 2.390 20 10 DECDHN CC[C@@]1(C)CCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000758742100 639991890 /nfs/dbraw/zinc/99/18/90/639991890.db2.gz UATUFWJQGJDHNJ-SFHVURJKSA-N 0 3 303.450 2.491 20 10 DECDHN COc1ccc(C[NH2+]Cc2ccccc2C(=O)N(C)C)c([O-])c1 ZINC000841880509 650590892 /nfs/dbraw/zinc/59/08/92/650590892.db2.gz BPFFHWGKPMOVJC-UHFFFAOYSA-N 0 3 314.385 2.392 20 10 DECDHN O=C(NCc1ccccc1O)NC[C@H]1CCCCN1C1CC1 ZINC000764837894 640700841 /nfs/dbraw/zinc/70/08/41/640700841.db2.gz BACVNTFUCYWZJI-OAHLLOKOSA-N 0 3 303.406 2.208 20 10 DECDHN COCCO[C@]12CCC[C@@]1([NH2+]Cc1ccc(C)cc1[O-])CCO2 ZINC000897998094 640988372 /nfs/dbraw/zinc/98/83/72/640988372.db2.gz NWDRHIXNCVHZPU-QZTJIDSGSA-N 0 3 321.417 2.493 20 10 DECDHN CCN(CCO)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768141345 641054199 /nfs/dbraw/zinc/05/41/99/641054199.db2.gz XKSSFNRTOLOULJ-UHFFFAOYSA-N 0 3 307.394 2.399 20 10 DECDHN COc1cc(CN2CCCN(CC(F)F)CC2)c(O)cc1C ZINC000768464536 641084782 /nfs/dbraw/zinc/08/47/82/641084782.db2.gz BAVLXGJNXAKTII-UHFFFAOYSA-N 0 3 314.376 2.482 20 10 DECDHN COC(=O)[C@H]1CC12CC[NH+](Cc1c([O-])cccc1OC)CC2 ZINC000769427823 641238935 /nfs/dbraw/zinc/23/89/35/641238935.db2.gz PKKGCEKRWRZICA-CYBMUJFWSA-N 0 3 305.374 2.176 20 10 DECDHN C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccnn2C)c2c1c(F)ccc2[O-] ZINC000927137261 641708784 /nfs/dbraw/zinc/70/87/84/641708784.db2.gz VELPFTBTXTYOKN-OLUVUFQESA-N 0 3 305.353 2.136 20 10 DECDHN C[C@@H](NC(=O)N[C@H]1CCCN(C)C1)c1ccc(N(C)C)cc1 ZINC000773370050 641765285 /nfs/dbraw/zinc/76/52/85/641765285.db2.gz YKLGIVHVPDVXMN-HIFRSBDPSA-N 0 3 304.438 2.207 20 10 DECDHN CCN(C)c1ccc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1 ZINC000773887058 641836315 /nfs/dbraw/zinc/83/63/15/641836315.db2.gz ABQWYHILLBVEJD-UAGQMJEPSA-N 0 3 301.434 2.229 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)N2C[C@@H]3C[C@@H]3C2)N(C)C)cc1 ZINC000899098617 641940201 /nfs/dbraw/zinc/94/02/01/641940201.db2.gz QBLPMRGBWBJSSM-HLLBOEOZSA-N 0 3 316.449 2.017 20 10 DECDHN CC(C)[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CCO1 ZINC000779149530 642467608 /nfs/dbraw/zinc/46/76/08/642467608.db2.gz FPBBYSKPDXIOIN-IBGZPJMESA-N 0 3 317.477 2.295 20 10 DECDHN CNC(=O)COc1cccc(C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000783506010 643012130 /nfs/dbraw/zinc/01/21/30/643012130.db2.gz YVIXKIRKOWNTOD-CYBMUJFWSA-N 0 3 314.385 2.368 20 10 DECDHN [O-]c1cc2c(cc1C[NH+]1CCC([C@H]3CCOC3)CC1)[C@H](O)CO2 ZINC000784006309 643082507 /nfs/dbraw/zinc/08/25/07/643082507.db2.gz FOTJQXJJEBMNFI-SUMWQHHRSA-N 0 3 319.401 2.067 20 10 DECDHN COC(=O)[C@H]1[C@@H](CN(C)Cc2ccc(N(C)C)cc2)C1(F)F ZINC000787769365 643540051 /nfs/dbraw/zinc/54/00/51/643540051.db2.gz DWEVJHFILMCEHT-ZIAGYGMSSA-N 0 3 312.360 2.239 20 10 DECDHN CCOc1ccc(C[NH2+]Cc2cccn(CC)c2=O)c([O-])c1 ZINC000788523349 643620290 /nfs/dbraw/zinc/62/02/90/643620290.db2.gz AZOYSHAOJWNMKO-UHFFFAOYSA-N 0 3 302.374 2.262 20 10 DECDHN [O-]c1ccc(Cl)c(F)c1CN1CC[NH+](CCCCO)CC1 ZINC000792167420 644082101 /nfs/dbraw/zinc/08/21/01/644082101.db2.gz IPFQPAFSEKIAGF-UHFFFAOYSA-N 0 3 316.804 2.075 20 10 DECDHN CC[C@H]([NH2+]C[C@H]1CC[C@H](C(=O)N(C)C)O1)c1ccc(C)cc1[O-] ZINC000794817990 644479859 /nfs/dbraw/zinc/47/98/59/644479859.db2.gz RWPRAMVJGLBBJW-UKPHBRMFSA-N 0 3 320.433 2.377 20 10 DECDHN C[C@@H]1C[C@H]([NH2+]C[C@H](CO)[C@H]2CCOC2)c2c1c(F)ccc2[O-] ZINC000795834415 644644623 /nfs/dbraw/zinc/64/46/23/644644623.db2.gz VAWCJUHCUJBRET-CZXHOFHRSA-N 0 3 309.381 2.314 20 10 DECDHN COc1ccc(O)c(CNCc2ncc(CN(C)C)s2)c1 ZINC000796306864 644715680 /nfs/dbraw/zinc/71/56/80/644715680.db2.gz FSRVZZARCYKQOL-UHFFFAOYSA-N 0 3 307.419 2.209 20 10 DECDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1CCCN1C ZINC000839919103 645299822 /nfs/dbraw/zinc/29/98/22/645299822.db2.gz PLPQADBRQVCCRB-RHSMWYFYSA-N 0 3 303.450 2.202 20 10 DECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2CN(C)CCN2C)c1[O-] ZINC000808696869 646130329 /nfs/dbraw/zinc/13/03/29/646130329.db2.gz ZFSKAXRQAGRVSF-OCCSQVGLSA-N 0 3 311.857 2.250 20 10 DECDHN Cn1nncc1CNCc1ccc(OCc2ccccc2)cc1O ZINC000809783413 646284136 /nfs/dbraw/zinc/28/41/36/646284136.db2.gz BULPZWIKQQYLMS-UHFFFAOYSA-N 0 3 324.384 2.390 20 10 DECDHN CCOc1ccc(CN2CCC(F)(F)[C@@H](CO)C2)c(O)c1 ZINC000812776112 646693668 /nfs/dbraw/zinc/69/36/68/646693668.db2.gz RNHYVCAUVRTPDC-GFCCVEGCSA-N 0 3 301.333 2.240 20 10 DECDHN CCOc1ccc(C[NH+]2CCC(C(=O)N(C)OC)CC2)c([O-])c1 ZINC000812780189 646694786 /nfs/dbraw/zinc/69/47/86/646694786.db2.gz VTIQCJIXUOMFRC-UHFFFAOYSA-N 0 3 322.405 2.023 20 10 DECDHN CN(C)c1ccc(CN(C)C(=O)CN2C[C@@H]3[C@H](C2)C3(C)C)cc1 ZINC000172957201 646756443 /nfs/dbraw/zinc/75/64/43/646756443.db2.gz WXBUWROGIRTJJC-CALCHBBNSA-N 0 3 315.461 2.299 20 10 DECDHN COc1ccc(O)c(CNC(=O)[C@H](C)N2CCCCCC2)c1 ZINC000173578969 646774627 /nfs/dbraw/zinc/77/46/27/646774627.db2.gz VRABACXTMOHEHP-ZDUSSCGKSA-N 0 3 306.406 2.282 20 10 DECDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COC[C@@H]1CCCO1 ZINC000174373114 646805586 /nfs/dbraw/zinc/80/55/86/646805586.db2.gz YXGUTPWVJSWCEU-SJORKVTESA-N 0 3 323.433 2.161 20 10 DECDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)COC[C@@H]1CCCO1 ZINC000174373114 646805589 /nfs/dbraw/zinc/80/55/89/646805589.db2.gz YXGUTPWVJSWCEU-SJORKVTESA-N 0 3 323.433 2.161 20 10 DECDHN O=C1CC[C@@H](C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)O1 ZINC000821392506 648051525 /nfs/dbraw/zinc/05/15/25/648051525.db2.gz ZZHMPOGYCJRQEJ-CABCVRRESA-N 0 3 305.374 2.079 20 10 DECDHN O=C1CC[C@@H](C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)O1 ZINC000821392506 648051527 /nfs/dbraw/zinc/05/15/27/648051527.db2.gz ZZHMPOGYCJRQEJ-CABCVRRESA-N 0 3 305.374 2.079 20 10 DECDHN [O-]c1ccc(Cl)cc1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000827701024 649071260 /nfs/dbraw/zinc/07/12/60/649071260.db2.gz ZMKYOKGYURGEEU-OAHLLOKOSA-N 0 3 310.825 2.077 20 10 DECDHN [O-]c1ccc(Cl)cc1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000827701024 649071263 /nfs/dbraw/zinc/07/12/63/649071263.db2.gz ZMKYOKGYURGEEU-OAHLLOKOSA-N 0 3 310.825 2.077 20 10 DECDHN CCOc1ccc(O)c(CN2CCC(NC(=O)OC)CC2)c1 ZINC000827935597 649108202 /nfs/dbraw/zinc/10/82/02/649108202.db2.gz ZRYWCIZHIYDZQV-UHFFFAOYSA-N 0 3 308.378 2.111 20 10 DECDHN CO[C@@H]1COC[C@H]1NCc1ccc(N2CCCCC2)c(C)c1 ZINC000830109350 649395154 /nfs/dbraw/zinc/39/51/54/649395154.db2.gz PQQBWBZCWZBOOD-SJLPKXTDSA-N 0 3 304.434 2.489 20 10 DECDHN CC(C)O[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000844719434 651159891 /nfs/dbraw/zinc/15/98/91/651159891.db2.gz ZATCHWWJTASEDI-XJKSGUPXSA-N 0 3 307.390 2.207 20 10 DECDHN CC(C)O[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000844719434 651159893 /nfs/dbraw/zinc/15/98/93/651159893.db2.gz ZATCHWWJTASEDI-XJKSGUPXSA-N 0 3 307.390 2.207 20 10 DECDHN CC(=O)c1cc(F)cc(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1[O-] ZINC000846225986 651316782 /nfs/dbraw/zinc/31/67/82/651316782.db2.gz STFPOTNIEWKUKZ-GUYCJALGSA-N 0 3 306.381 2.295 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](OC3CCC3)C1)[C@@H](O)CO2 ZINC000848498406 651464073 /nfs/dbraw/zinc/46/40/73/651464073.db2.gz SCBLLJWPKFGMST-YOEHRIQHSA-N 0 3 319.401 2.352 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](OC3CCC3)C1)[C@@H](O)CO2 ZINC000848498406 651464074 /nfs/dbraw/zinc/46/40/74/651464074.db2.gz SCBLLJWPKFGMST-YOEHRIQHSA-N 0 3 319.401 2.352 20 10 DECDHN CC1(C)C(=O)N[C@H]1C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000848921770 651562227 /nfs/dbraw/zinc/56/22/27/651562227.db2.gz WRWIOJAQAHWWNF-HNNXBMFYSA-N 0 3 306.381 2.268 20 10 DECDHN Cc1cc(N(C)C)ccc1CNCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000848923627 651562902 /nfs/dbraw/zinc/56/29/02/651562902.db2.gz HMLHIIUMODNGHT-HNNXBMFYSA-N 0 3 315.421 2.320 20 10 DECDHN COc1ccc(N2C[C@H]([NH2+]Cc3ccccc3[O-])CC2=O)cc1 ZINC000850359863 651910033 /nfs/dbraw/zinc/91/00/33/651910033.db2.gz UQMVWURRJQDUBU-CQSZACIVSA-N 0 3 312.369 2.296 20 10 DECDHN [O-]c1cccc2c1[C@H]([NH2+]C1CCN([C@H]3CCOC3)CC1)CC2 ZINC000850554763 651952665 /nfs/dbraw/zinc/95/26/65/651952665.db2.gz FQLJXMDBOKHDAZ-JKSUJKDBSA-N 0 3 302.418 2.222 20 10 DECDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@H](O)C2)c1[O-] ZINC000850578893 651956729 /nfs/dbraw/zinc/95/67/29/651956729.db2.gz PMMJBGMDYZBDMQ-HGNGGELXSA-N 0 3 316.195 2.337 20 10 DECDHN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](F)[C@H](N)C2)cc1 ZINC000851655507 652199924 /nfs/dbraw/zinc/19/99/24/652199924.db2.gz RNUPBJCCGIVZEP-HZPDHXFCSA-N 0 3 322.428 2.114 20 10 DECDHN COC[C@@H](C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)OC ZINC000851841857 652256361 /nfs/dbraw/zinc/25/63/61/652256361.db2.gz YNHYPHVZYFHDOE-HZPDHXFCSA-N 0 3 309.406 2.035 20 10 DECDHN COC[C@@H](C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)OC ZINC000851841857 652256364 /nfs/dbraw/zinc/25/63/64/652256364.db2.gz YNHYPHVZYFHDOE-HZPDHXFCSA-N 0 3 309.406 2.035 20 10 DECDHN CSC[C@@](C)(O)CNCc1cc(F)c(N(C)C)cc1F ZINC000858142966 652263871 /nfs/dbraw/zinc/26/38/71/652263871.db2.gz BSAVFWCLCOFWSC-AWEZNQCLSA-N 0 3 304.406 2.234 20 10 DECDHN COc1cc(Br)cc(C[NH2+]C[C@H]2C[C@@H](O)C2)c1[O-] ZINC000858295546 652298531 /nfs/dbraw/zinc/29/85/31/652298531.db2.gz CPBWZNHDUVBHJF-DKTWLAJQSA-N 0 3 316.195 2.024 20 10 DECDHN CCOc1ccc(C[NH2+][C@@H]2CCO[C@@H]2c2nc(C)no2)c([O-])c1 ZINC000858327496 652307684 /nfs/dbraw/zinc/30/76/84/652307684.db2.gz SEZSLWARFRSDJM-HIFRSBDPSA-N 0 3 319.361 2.102 20 10 DECDHN Cc1noc([C@H]2OCC[C@H]2[NH2+][C@@H](C)c2cc(F)ccc2[O-])n1 ZINC000858591642 685564573 /nfs/dbraw/zinc/56/45/73/685564573.db2.gz IFIYDTMVFBVPIB-PELMWDNLSA-N 0 3 307.325 2.404 20 10 DECDHN COC(=O)[C@]1(OC)CCN(Cc2cc(Cl)cc(C)c2O)C1 ZINC000862475273 686306856 /nfs/dbraw/zinc/30/68/56/686306856.db2.gz FQURRWMJQCRESB-HNNXBMFYSA-N 0 3 313.781 2.118 20 10 DECDHN COC(=O)[C@]1(OC)CC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000862475273 686306865 /nfs/dbraw/zinc/30/68/65/686306865.db2.gz FQURRWMJQCRESB-HNNXBMFYSA-N 0 3 313.781 2.118 20 10 DECDHN COC(=O)[C@]1(OC)CC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000862475273 686306871 /nfs/dbraw/zinc/30/68/71/686306871.db2.gz FQURRWMJQCRESB-HNNXBMFYSA-N 0 3 313.781 2.118 20 10 DECDHN CN(C)c1cc(F)c(CNc2cc3n(n2)CCN(C)C3)cc1F ZINC000865846183 687353008 /nfs/dbraw/zinc/35/30/08/687353008.db2.gz LEKPOWMZTDLHOW-UHFFFAOYSA-N 0 3 321.375 2.285 20 10 DECDHN C[C@@H](NCc1ccc(N)nc1)c1ccc(N2CCOCC2)cc1 ZINC000930209854 694112980 /nfs/dbraw/zinc/11/29/80/694112980.db2.gz JLOVQJBLYQSNRB-CQSZACIVSA-N 0 3 312.417 2.351 20 10 DECDHN C[C@H]1C[C@H]([NH2+]C2CN(c3ccncn3)C2)c2c1c(F)ccc2[O-] ZINC000866496756 687591698 /nfs/dbraw/zinc/59/16/98/687591698.db2.gz WYTMQFNTMFPASX-GWCFXTLKSA-N 0 3 314.364 2.348 20 10 DECDHN COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccccc2[O-])cc1 ZINC000873190719 689179678 /nfs/dbraw/zinc/17/96/78/689179678.db2.gz CXARGCQPRIFTHD-GOSISDBHSA-N 0 3 301.386 2.484 20 10 DECDHN Cc1ccc(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)c([O-])c1 ZINC000876742679 689923893 /nfs/dbraw/zinc/92/38/93/689923893.db2.gz RATDHYIIDDKMDK-KRWDZBQOSA-N 0 3 315.417 2.380 20 10 DECDHN CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(C)cc1[O-] ZINC000877423670 690108407 /nfs/dbraw/zinc/10/84/07/690108407.db2.gz IZGZPBMSUSBYII-CABCVRRESA-N 0 3 307.390 2.243 20 10 DECDHN CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1ccc(C)cc1[O-] ZINC000877423670 690108409 /nfs/dbraw/zinc/10/84/09/690108409.db2.gz IZGZPBMSUSBYII-CABCVRRESA-N 0 3 307.390 2.243 20 10 DECDHN Cc1cccc(O)c1CNCc1ccc(S(C)(=O)=O)s1 ZINC000877465563 690121078 /nfs/dbraw/zinc/12/10/78/690121078.db2.gz BHVMCGZWZQQAAB-UHFFFAOYSA-N 0 3 311.428 2.455 20 10 DECDHN COCCOC1(C[NH2+]Cc2ccc(C)cc2[O-])CCOCC1 ZINC000877558354 690151391 /nfs/dbraw/zinc/15/13/91/690151391.db2.gz FLIVASYAUAAULD-UHFFFAOYSA-N 0 3 309.406 2.002 20 10 DECDHN Cc1ccc(C[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)c([O-])c1 ZINC000877584896 690159148 /nfs/dbraw/zinc/15/91/48/690159148.db2.gz KOMUIQPYAFKQIV-INIZCTEOSA-N 0 3 321.417 2.206 20 10 DECDHN CC1(C)C[C@H](O)CN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000877752695 690215998 /nfs/dbraw/zinc/21/59/98/690215998.db2.gz ICGHVMIKECNIMG-HNNXBMFYSA-N 0 3 322.424 2.255 20 10 DECDHN C[C@@H]([NH2+]CCn1cnc(Br)n1)c1ccccc1[O-] ZINC000879648812 690699346 /nfs/dbraw/zinc/69/93/46/690699346.db2.gz APNAAPJXDZEMLU-SECBINFHSA-N 0 3 311.183 2.097 20 10 DECDHN CNS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879650334 690699060 /nfs/dbraw/zinc/69/90/60/690699060.db2.gz VOPMDMOFRNEKGA-GFCCVEGCSA-N 0 3 320.414 2.151 20 10 DECDHN C[C@@H]([NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000879649392 690699470 /nfs/dbraw/zinc/69/94/70/690699470.db2.gz PQUCZLGDNXZEDL-SJKOYZFVSA-N 0 3 324.421 2.319 20 10 DECDHN C[C@@H]([NH2+]CC(=O)N1C[C@@H](C)OC(C)(C)C1)c1ccccc1[O-] ZINC000931553868 694427642 /nfs/dbraw/zinc/42/76/42/694427642.db2.gz IGVRYGFRCWYHDT-CHWSQXEVSA-N 0 3 306.406 2.069 20 10 DECDHN CN(CCCC[NH+]1CCCCC1)C(=O)c1cccc(O)c1[O-] ZINC000882625552 691330190 /nfs/dbraw/zinc/33/01/90/691330190.db2.gz CBKFJWASPCVDEJ-UHFFFAOYSA-N 0 3 306.406 2.436 20 10 DECDHN COC(=O)C1(C)CCN(Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141028362 778133104 /nfs/dbraw/zinc/13/31/04/778133104.db2.gz LYZKCWGOLWDWAO-UHFFFAOYSA-N 0 3 323.389 2.185 20 10 DECDHN COc1ccc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c([O-])c1 ZINC000093691796 780627863 /nfs/dbraw/zinc/62/78/63/780627863.db2.gz FPTRLYSMFIXJDN-INIZCTEOSA-N 0 3 300.358 2.449 20 10 DECDHN COc1ccc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)c([O-])c1 ZINC000093691796 780627866 /nfs/dbraw/zinc/62/78/66/780627866.db2.gz FPTRLYSMFIXJDN-INIZCTEOSA-N 0 3 300.358 2.449 20 10 DECDHN CN(C)CC[N@H+](C)Cc1cc(Br)c(F)cc1[O-] ZINC001144298594 790849458 /nfs/dbraw/zinc/84/94/58/790849458.db2.gz HBPXJBIOHRLSES-UHFFFAOYSA-N 0 3 305.191 2.287 20 10 DECDHN CN(C)CC[N@@H+](C)Cc1cc(Br)c(F)cc1[O-] ZINC001144298594 790849470 /nfs/dbraw/zinc/84/94/70/790849470.db2.gz HBPXJBIOHRLSES-UHFFFAOYSA-N 0 3 305.191 2.287 20 10 DECDHN C[NH+]1C(C)(C)CC(NC(=O)c2cc(O)c([O-])c(O)c2)CC1(C)C ZINC001148589773 791778542 /nfs/dbraw/zinc/77/85/42/791778542.db2.gz KTFULTBUZVJDCB-UHFFFAOYSA-N 0 3 322.405 2.185 20 10 DECDHN CN(C)c1cc(F)c(CNCC2([S@@](C)=O)CCC2)cc1F ZINC001118859450 795233831 /nfs/dbraw/zinc/23/38/31/795233831.db2.gz JEBRYRQGQXQJGA-OAQYLSRUSA-N 0 3 316.417 2.422 20 10 DECDHN CCOC(=O)N1CC[C@@H]([NH2+]Cc2c(C)cc(OC)cc2[O-])C1 ZINC001181008644 795405156 /nfs/dbraw/zinc/40/51/56/795405156.db2.gz SWEPALXPERNPKK-GFCCVEGCSA-N 0 3 308.378 2.030 20 10 DECDHN COc1cc(CN2CC[C@H](COCC3CC3)C2)cc(O)c1O ZINC001204346723 795708332 /nfs/dbraw/zinc/70/83/32/795708332.db2.gz XAKPUDOXZLJCPZ-ZDUSSCGKSA-N 0 3 307.390 2.355 20 10 DECDHN COC(=O)[C@H]1CN(Cc2c(C)n(C)c3ccccc32)CCCO1 ZINC001138259913 796189400 /nfs/dbraw/zinc/18/94/00/796189400.db2.gz QXVPHMWFACPUAH-QGZVFWFLSA-N 0 3 316.401 2.251 20 10 DECDHN COc1cc(CN2CCC(=O)C(C)(C)C2)cc(CN(C)C)c1O ZINC001139258146 796349992 /nfs/dbraw/zinc/34/99/92/796349992.db2.gz MBMLWKBGIPJHTJ-UHFFFAOYSA-N 0 3 320.433 2.263 20 10 DECDHN CCN1CCN(c2ccc(CN3CC(C)(OC)C3)cc2)CC1 ZINC001140299881 796503106 /nfs/dbraw/zinc/50/31/06/796503106.db2.gz HYHLMSGIWNJWMU-UHFFFAOYSA-N 0 3 303.450 2.049 20 10 DECDHN C[C@@]1(O)CCCN(Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140660039 796551614 /nfs/dbraw/zinc/55/16/14/796551614.db2.gz DAJSRDDYPANIQU-GOSISDBHSA-N 0 3 322.424 2.399 20 10 DECDHN Fc1cc(N2CCOCC2)ccc1CN1CCC[C@]12CCOC2 ZINC001140664755 796553110 /nfs/dbraw/zinc/55/31/10/796553110.db2.gz RFAWCVZCZGQLKN-GOSISDBHSA-N 0 3 320.408 2.417 20 10 DECDHN COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141029324 796621608 /nfs/dbraw/zinc/62/16/08/796621608.db2.gz PRFLWHLODVBAPH-NWDGAFQWSA-N 0 3 323.389 2.040 20 10 DECDHN COC(=O)[C@@H]1C[C@H](C)C[N@@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141029324 796621610 /nfs/dbraw/zinc/62/16/10/796621610.db2.gz PRFLWHLODVBAPH-NWDGAFQWSA-N 0 3 323.389 2.040 20 10 DECDHN Cc1cc(O[C@H]2CCCN(Cc3cc(O)ccc3O)C2)ncn1 ZINC001141163125 796643818 /nfs/dbraw/zinc/64/38/18/796643818.db2.gz QFHRADJPVFPPLO-HNNXBMFYSA-N 0 3 315.373 2.240 20 10 DECDHN CN(C)C[C@H]1CN(Cc2cccc(C(C)(C)C)c2O)CCO1 ZINC001143103792 796802292 /nfs/dbraw/zinc/80/22/92/796802292.db2.gz KHDHVZVXIPPUHM-HNNXBMFYSA-N 0 3 306.450 2.452 20 10 DECDHN Oc1ccccc1CN1CCCn2cnc(Cn3cccn3)c2C1 ZINC001203552386 800078393 /nfs/dbraw/zinc/07/83/93/800078393.db2.gz MCLCUNPLNONXHS-UHFFFAOYSA-N 0 3 323.400 2.239 20 10 DECDHN O=C1NCC[C@]12C[N@H+](Cc1ccccc1[O-])C[C@H]2c1ccccc1 ZINC001203556415 800079147 /nfs/dbraw/zinc/07/91/47/800079147.db2.gz PJBJAIVQPMVNDF-FXAWDEMLSA-N 0 3 322.408 2.498 20 10 DECDHN O=C1NCC[C@]12C[N@@H+](Cc1ccccc1[O-])C[C@H]2c1ccccc1 ZINC001203556415 800079157 /nfs/dbraw/zinc/07/91/57/800079157.db2.gz PJBJAIVQPMVNDF-FXAWDEMLSA-N 0 3 322.408 2.498 20 10 DECDHN COc1cccc(O[C@H]2CC[N@H+](Cc3ccccc3[O-])C2)n1 ZINC001203561103 800080625 /nfs/dbraw/zinc/08/06/25/800080625.db2.gz LGHHAWYTQGHPOF-AWEZNQCLSA-N 0 3 300.358 2.449 20 10 DECDHN COc1cccc(O[C@H]2CC[N@@H+](Cc3ccccc3[O-])C2)n1 ZINC001203561103 800080631 /nfs/dbraw/zinc/08/06/31/800080631.db2.gz LGHHAWYTQGHPOF-AWEZNQCLSA-N 0 3 300.358 2.449 20 10 DECDHN COc1ccnc(O[C@@H]2CC[N@H+](Cc3ccccc3[O-])C2)c1 ZINC001203561292 800080947 /nfs/dbraw/zinc/08/09/47/800080947.db2.gz PJOJZWIOYLOBRU-OAHLLOKOSA-N 0 3 300.358 2.449 20 10 DECDHN COc1ccnc(O[C@@H]2CC[N@@H+](Cc3ccccc3[O-])C2)c1 ZINC001203561292 800080955 /nfs/dbraw/zinc/08/09/55/800080955.db2.gz PJOJZWIOYLOBRU-OAHLLOKOSA-N 0 3 300.358 2.449 20 10 DECDHN O=C(NC1CC[NH+](Cc2ccccc2[O-])CC1)c1ccncc1 ZINC001203561110 800081348 /nfs/dbraw/zinc/08/13/48/800081348.db2.gz LKDBDOQPFKZIQJ-UHFFFAOYSA-N 0 3 311.385 2.182 20 10 DECDHN COc1cccc(CN2CCC[C@@H](Oc3ncccn3)C2)c1O ZINC001203601688 800088489 /nfs/dbraw/zinc/08/84/89/800088489.db2.gz HCGFBVNLARQOOU-CQSZACIVSA-N 0 3 315.373 2.234 20 10 DECDHN [O-]c1cc(O)ccc1C[N@@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001204274592 800197517 /nfs/dbraw/zinc/19/75/17/800197517.db2.gz QAVINFHWWHBIJL-UHFFFAOYSA-N 0 3 311.385 2.366 20 10 DECDHN [O-]c1cc(O)ccc1C[N@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001204274592 800197521 /nfs/dbraw/zinc/19/75/21/800197521.db2.gz QAVINFHWWHBIJL-UHFFFAOYSA-N 0 3 311.385 2.366 20 10 DECDHN CCOC(=O)[C@H]1CNCCN1Cc1cc(C(C)(C)C)ccc1O ZINC001211362998 801554467 /nfs/dbraw/zinc/55/44/67/801554467.db2.gz ZFORBVCFPRMLAD-OAHLLOKOSA-N 0 3 320.433 2.027 20 10 DECDHN COc1ccc(Br)c(CN2CC[C@@](C)(O)C2)c1O ZINC001231549491 801686672 /nfs/dbraw/zinc/68/66/72/801686672.db2.gz BVPKNHPCKPNSIS-CYBMUJFWSA-N 0 3 316.195 2.120 20 10 DECDHN COc1cc(N(C)C)ccc1CN1CC(N2CCCCC2)C1 ZINC001231854994 801738726 /nfs/dbraw/zinc/73/87/26/801738726.db2.gz NRWOCQRKGVLATK-UHFFFAOYSA-N 0 3 303.450 2.431 20 10 DECDHN CNCc1cccc(N(c2ccc(N)cc2)S(C)(=O)=O)c1F ZINC001216224341 801954313 /nfs/dbraw/zinc/95/43/13/801954313.db2.gz YIBFEKZIPCBLPK-UHFFFAOYSA-N 0 3 323.393 2.225 20 10 DECDHN Cc1cnccc1O[C@@H]1CCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233487723 802128605 /nfs/dbraw/zinc/12/86/05/802128605.db2.gz PPZWUSCZPCNJQJ-CYBMUJFWSA-N 0 3 316.357 2.160 20 10 DECDHN Cc1cccnc1O[C@@H]1CCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233487992 802129692 /nfs/dbraw/zinc/12/96/92/802129692.db2.gz ZUFCIDMLZVSGMP-CYBMUJFWSA-N 0 3 316.357 2.160 20 10 DECDHN C[C@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC[C@@H]1O ZINC001233726754 802190929 /nfs/dbraw/zinc/19/09/29/802190929.db2.gz HAWYEKKWOCQSKO-ONGXEEELSA-N 0 3 305.296 2.494 20 10 DECDHN C[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC[C@@H]1O ZINC001233726754 802190930 /nfs/dbraw/zinc/19/09/30/802190930.db2.gz HAWYEKKWOCQSKO-ONGXEEELSA-N 0 3 305.296 2.494 20 10 DECDHN CCOC(=O)[C@H]1CNCCN1Cc1ccc(C(C)(C)C)cc1O ZINC001222079803 802638479 /nfs/dbraw/zinc/63/84/79/802638479.db2.gz FTUNWFIVSXMTEQ-OAHLLOKOSA-N 0 3 320.433 2.027 20 10 DECDHN Cc1cc(C(=O)NOCCN(C)C)c(C)n1-c1ccc(F)cc1 ZINC001351001527 1151446569 /nfs/dbraw/zinc/44/65/69/1151446569.db2.gz RFANJLOWMYTUGV-UHFFFAOYSA-N 0 3 319.380 2.456 20 10 DECDHN COc1cc(C)c(C[NH2+]C[C@@H]2CCN2C2CCOCC2)c([O-])c1 ZINC001561021403 1075149897 /nfs/dbraw/zinc/14/98/97/1075149897.db2.gz LCDHUQUVNBPVTL-HNNXBMFYSA-N 0 3 320.433 2.052 20 10 DECDHN COc1cc(C)c(CN2C[C@@H](C)O[C@]3(CCCOC3)C2)c(O)c1 ZINC001659017959 1080225320 /nfs/dbraw/zinc/22/53/20/1080225320.db2.gz BIVOLLDVEMDTHN-RDTXWAMCSA-N 0 3 321.417 2.479 20 10 DECDHN Oc1cc(CN2CC3(CCN3C3CCCC3)C2)cc(O)c1O ZINC001276833745 1083638273 /nfs/dbraw/zinc/63/82/73/1083638273.db2.gz SNTZOOXVQOKVDG-UHFFFAOYSA-N 0 3 304.390 2.006 20 10 DECDHN CN1CCCc2cc(CN3C[C@@H]4CC[C@H](C3)[C@H]4C(N)=O)ccc21 ZINC001277254412 1083875611 /nfs/dbraw/zinc/87/56/11/1083875611.db2.gz RSVZFLHYYGTUMN-ALXJQNPVSA-N 0 3 313.445 2.012 20 10 DECDHN CN(C)C(=O)[C@H]1CCC[C@@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001277441940 1083971513 /nfs/dbraw/zinc/97/15/13/1083971513.db2.gz RUCNPENRVJFWGU-QAPCUYQASA-N 0 3 302.418 2.473 20 10 DECDHN CN(C)C(=O)[C@H]1CCC[C@@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001277441940 1083971518 /nfs/dbraw/zinc/97/15/18/1083971518.db2.gz RUCNPENRVJFWGU-QAPCUYQASA-N 0 3 302.418 2.473 20 10 DECDHN COC(=O)C1(C)CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC001236755218 1138406965 /nfs/dbraw/zinc/40/69/65/1138406965.db2.gz AAJFAFFTFRGHTC-UHFFFAOYSA-N 0 3 323.389 2.185 20 10 DECDHN COc1cc(O)c(CN2CC(c3cccnc3)C2)cc1OC ZINC001236752392 1138409564 /nfs/dbraw/zinc/40/95/64/1138409564.db2.gz QRKVWJLTUJMVDY-UHFFFAOYSA-N 0 3 300.358 2.404 20 10 DECDHN COC(=O)CC[C@H]1CC[N@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001236810875 1138437165 /nfs/dbraw/zinc/43/71/65/1138437165.db2.gz KOQOMOUKZHLOOF-ZDUSSCGKSA-N 0 3 307.390 2.484 20 10 DECDHN COC(=O)CC[C@H]1CC[N@@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001236810875 1138437169 /nfs/dbraw/zinc/43/71/69/1138437169.db2.gz KOQOMOUKZHLOOF-ZDUSSCGKSA-N 0 3 307.390 2.484 20 10 DECDHN COc1cc(C)c(C[NH+]2CCC(N(C)C(C)=O)CC2)c([O-])c1 ZINC001236819811 1138439149 /nfs/dbraw/zinc/43/91/49/1138439149.db2.gz GWRHCLJYNAHHJY-UHFFFAOYSA-N 0 3 306.406 2.152 20 10 DECDHN C[C@@]1(CO)C[N@H+](Cc2cc3ccccc3cc2[O-])CC[C@@H]1O ZINC001236825640 1138439708 /nfs/dbraw/zinc/43/97/08/1138439708.db2.gz AMXXCHVGWBTLTM-ROUUACIJSA-N 0 3 301.386 2.111 20 10 DECDHN C[C@@]1(CO)C[N@@H+](Cc2cc3ccccc3cc2[O-])CC[C@@H]1O ZINC001236825640 1138439710 /nfs/dbraw/zinc/43/97/10/1138439710.db2.gz AMXXCHVGWBTLTM-ROUUACIJSA-N 0 3 301.386 2.111 20 10 DECDHN CC[C@H](N)C[N@@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC001236883923 1138446959 /nfs/dbraw/zinc/44/69/59/1138446959.db2.gz IFAVTQHCSICVQA-JTQLQIEISA-N 0 3 305.191 2.463 20 10 DECDHN CC[C@H](N)C[N@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC001236883923 1138446943 /nfs/dbraw/zinc/44/69/43/1138446943.db2.gz IFAVTQHCSICVQA-JTQLQIEISA-N 0 3 305.191 2.463 20 10 DECDHN O=S1(=O)CCN(c2ccc(CN3CCCC34CC4)cc2)CC1 ZINC001237202470 1138531432 /nfs/dbraw/zinc/53/14/32/1138531432.db2.gz HXTQKHYAJSSMDE-UHFFFAOYSA-N 0 3 320.458 2.050 20 10 DECDHN CC[C@@H]1CCN(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001237217393 1138538393 /nfs/dbraw/zinc/53/83/93/1138538393.db2.gz YAGNYPZFEXTTAJ-OAHLLOKOSA-N 0 3 322.474 2.153 20 10 DECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H]2C[C@H](C(=O)NC3CC3)C[C@@H]2C1 ZINC001237487609 1138654574 /nfs/dbraw/zinc/65/45/74/1138654574.db2.gz CGURDLKYJYCJEK-QKDCVEJESA-N 0 3 314.429 2.437 20 10 DECDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H]2C[C@H](C(=O)NC3CC3)C[C@@H]2C1 ZINC001237487609 1138654581 /nfs/dbraw/zinc/65/45/81/1138654581.db2.gz CGURDLKYJYCJEK-QKDCVEJESA-N 0 3 314.429 2.437 20 10 DECDHN COc1cc(CN(CCO)Cc2ccccc2)c(O)c(OC)c1 ZINC001237675441 1138750969 /nfs/dbraw/zinc/75/09/69/1138750969.db2.gz XORMWWXNGOLXBD-UHFFFAOYSA-N 0 3 317.385 2.404 20 10 DECDHN Cc1ccc(C)c(CN2CCc3nc(C(N)=O)ccc3C2)c1O ZINC001278355356 1140051278 /nfs/dbraw/zinc/05/12/78/1140051278.db2.gz UMBHGVWUXVWFJK-UHFFFAOYSA-N 0 3 311.385 2.061 20 10 DECDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CC[C@H](F)[C@H](O)C3)ccc2O1 ZINC001249223268 1141862240 /nfs/dbraw/zinc/86/22/40/1141862240.db2.gz CZIVYINFBSSIJG-UONOGXRCSA-N 0 3 307.365 2.481 20 10 DECDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CC[C@H](F)[C@H](O)C3)ccc2O1 ZINC001249223268 1141862242 /nfs/dbraw/zinc/86/22/42/1141862242.db2.gz CZIVYINFBSSIJG-UONOGXRCSA-N 0 3 307.365 2.481 20 10 DECDHN CC1(C)C=Cc2c(O)c(CN3CC[C@H](F)[C@H](O)C3)ccc2O1 ZINC001249223268 1141862245 /nfs/dbraw/zinc/86/22/45/1141862245.db2.gz CZIVYINFBSSIJG-UONOGXRCSA-N 0 3 307.365 2.481 20 10 DECDHN COC(=O)C[C@]1(NCc2ccc(N3CCCC3)cc2)CCOC1 ZINC001254961962 1143373577 /nfs/dbraw/zinc/37/35/77/1143373577.db2.gz BREAZXHQUOYCLA-GOSISDBHSA-N 0 3 318.417 2.099 20 10 DECDHN [O-]c1cc(O)ccc1C[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC001256582088 1143855261 /nfs/dbraw/zinc/85/52/61/1143855261.db2.gz GEFGWRNBXYTCGH-UHFFFAOYSA-N 0 3 313.401 2.247 20 10 DECDHN C[C@@H]1CC[C@@H](NCc2ccc(N3CCCC3)cc2)CS1(=O)=O ZINC001327211167 1148348931 /nfs/dbraw/zinc/34/89/31/1148348931.db2.gz XEGZQRHIXMZNCL-GDBMZVCRSA-N 0 3 322.474 2.342 20 10 DECDHN CCN(CC)c1ccc(CNC(=O)C2CCN(C)CC2)cc1 ZINC000072985182 191266142 /nfs/dbraw/zinc/26/61/42/191266142.db2.gz ZOUUQZUQLVXUQN-UHFFFAOYSA-N 0 3 303.450 2.491 20 10 DECDHN CN(C)c1ccc(CNC(=O)CN(C)CC2CCCC2)cc1 ZINC000064021023 354661351 /nfs/dbraw/zinc/66/13/51/354661351.db2.gz RXTIQNWOINXBIW-UHFFFAOYSA-N 0 3 303.450 2.491 20 10 DECDHN Cc1cc(C)c([C@@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)c([O-])c1 ZINC000294860737 224270393 /nfs/dbraw/zinc/27/03/93/224270393.db2.gz SZPASDZLJKJGIS-CYBMUJFWSA-N 0 3 311.447 2.484 20 10 DECDHN COCCn1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000274835901 130267343 /nfs/dbraw/zinc/26/73/43/130267343.db2.gz VGMSPFBTAMESHY-AWEZNQCLSA-N 0 3 302.422 2.446 20 10 DECDHN COc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c1[O-] ZINC000285613946 131185919 /nfs/dbraw/zinc/18/59/19/131185919.db2.gz XQEMJMKNCLFXTG-MLGOLLRUSA-N 0 3 306.406 2.184 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]CCC2(O)CCOCC2)c1[O-] ZINC000289380590 131380599 /nfs/dbraw/zinc/38/05/99/131380599.db2.gz MLFSQZRWYAREMS-UHFFFAOYSA-N 0 3 315.797 2.075 20 10 DECDHN CN1CCN(CCC[N@H+](C)Cc2c([O-])cccc2Cl)CC1 ZINC000289403577 131384225 /nfs/dbraw/zinc/38/42/25/131384225.db2.gz GWOQYMXJNHYVST-UHFFFAOYSA-N 0 3 311.857 2.115 20 10 DECDHN CN1CCN(CCC[N@@H+](C)Cc2c([O-])cccc2Cl)CC1 ZINC000289403577 131384226 /nfs/dbraw/zinc/38/42/26/131384226.db2.gz GWOQYMXJNHYVST-UHFFFAOYSA-N 0 3 311.857 2.115 20 10 DECDHN COc1ccc(N2CCN(CC3CCOCC3)CC2)cc1F ZINC000084866153 401911181 /nfs/dbraw/zinc/91/11/81/401911181.db2.gz KEFBQWMLPBLNHY-UHFFFAOYSA-N 0 3 308.397 2.383 20 10 DECDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)COCc1cccs1 ZINC000121148347 402017652 /nfs/dbraw/zinc/01/76/52/402017652.db2.gz APIRTSIGVBQWKP-AWEZNQCLSA-N 0 3 307.415 2.463 20 10 DECDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)COCc1cccs1 ZINC000121148347 402017655 /nfs/dbraw/zinc/01/76/55/402017655.db2.gz APIRTSIGVBQWKP-AWEZNQCLSA-N 0 3 307.415 2.463 20 10 DECDHN COC(=O)[C@H](C)C[N@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000184682062 402291496 /nfs/dbraw/zinc/29/14/96/402291496.db2.gz ULKYNBFKARXSOF-SECBINFHSA-N 0 3 301.770 2.295 20 10 DECDHN COC(=O)[C@H](C)C[N@@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000184682062 402291498 /nfs/dbraw/zinc/29/14/98/402291498.db2.gz ULKYNBFKARXSOF-SECBINFHSA-N 0 3 301.770 2.295 20 10 DECDHN O=C(NC1CC[NH+](CC2CCCC2)CC1)c1cccc(O)c1[O-] ZINC000185897924 402387681 /nfs/dbraw/zinc/38/76/81/402387681.db2.gz LJSSUHIIRJUDTH-UHFFFAOYSA-N 0 3 318.417 2.482 20 10 DECDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2COC3(CCOCC3)O2)c([O-])c1 ZINC000186375646 402426039 /nfs/dbraw/zinc/42/60/39/402426039.db2.gz PFVNZPFDYRRECQ-KBPBESRZSA-N 0 3 307.390 2.273 20 10 DECDHN C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2ccccc2[O-])C[C@H](C)O1 ZINC000179563594 402594651 /nfs/dbraw/zinc/59/46/51/402594651.db2.gz FUXUZJBDJDRDCR-UXLLHSPISA-N 0 3 304.434 2.466 20 10 DECDHN C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2ccccc2[O-])C[C@H](C)O1 ZINC000179563594 402594653 /nfs/dbraw/zinc/59/46/53/402594653.db2.gz FUXUZJBDJDRDCR-UXLLHSPISA-N 0 3 304.434 2.466 20 10 DECDHN CN(C)c1ccc(CN2CCN(CC3CCOCC3)CC2)cc1 ZINC000179623858 402596632 /nfs/dbraw/zinc/59/66/32/402596632.db2.gz OSDVTWGYQZSLDT-UHFFFAOYSA-N 0 3 317.477 2.297 20 10 DECDHN COc1ccc([O-])c(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000271965476 402887922 /nfs/dbraw/zinc/88/79/22/402887922.db2.gz ZZYDELJHYSCBLS-AWEZNQCLSA-N 0 3 319.376 2.481 20 10 DECDHN CCN(CC)c1ccc(CN2CC[C@](C)(C(N)=O)C2)cc1F ZINC000280398339 402995961 /nfs/dbraw/zinc/99/59/61/402995961.db2.gz XOBTXTWPOZYILO-KRWDZBQOSA-N 0 3 307.413 2.369 20 10 DECDHN COC[C@H](CO)[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000280884141 403046874 /nfs/dbraw/zinc/04/68/74/403046874.db2.gz DQXGPNDDUQGJDE-KOLCDFICSA-N 0 3 318.211 2.121 20 10 DECDHN CC(C)OC[C@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000269045976 403123010 /nfs/dbraw/zinc/12/30/10/403123010.db2.gz NJAOOIDBOZTFLQ-SJORKVTESA-N 0 3 323.433 2.159 20 10 DECDHN CC(C)OC[C@H](O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000269045976 403123011 /nfs/dbraw/zinc/12/30/11/403123011.db2.gz NJAOOIDBOZTFLQ-SJORKVTESA-N 0 3 323.433 2.159 20 10 DECDHN CN(C)C1(CNC(=O)Cc2ccc(N)cc2)Cc2ccccc2C1 ZINC000269273557 403127038 /nfs/dbraw/zinc/12/70/38/403127038.db2.gz UVBQQDVEGMXDGC-UHFFFAOYSA-N 0 3 323.440 2.027 20 10 DECDHN COc1cc(O)c(CN[C@H]2CCCc3nn(C)cc32)cc1OC ZINC000283006771 403164635 /nfs/dbraw/zinc/16/46/35/403164635.db2.gz LDPGZNSZJQNRJQ-ZDUSSCGKSA-N 0 3 317.389 2.310 20 10 DECDHN CCNC(=O)C1(C[NH2+][C@@H](C)c2cc(OC)ccc2[O-])CCC1 ZINC000277405491 403214290 /nfs/dbraw/zinc/21/42/90/403214290.db2.gz ZGQCGUJFOAWNED-LBPRGKRZSA-N 0 3 306.406 2.358 20 10 DECDHN CN(C)c1ccc(CN[C@@H](CO)C[C@H](O)c2ccccc2)cc1 ZINC000269955940 403178053 /nfs/dbraw/zinc/17/80/53/403178053.db2.gz SSZYLZQTUDWKBL-MJGOQNOKSA-N 0 3 314.429 2.327 20 10 DECDHN CCCOc1ccc(CN2CCC([N@H+](C)CCO)CC2)c([O-])c1 ZINC000271159264 403270844 /nfs/dbraw/zinc/27/08/44/403270844.db2.gz JGIVVFDLARSNHR-UHFFFAOYSA-N 0 3 322.449 2.070 20 10 DECDHN CCCOc1ccc(CN2CCC([N@@H+](C)CCO)CC2)c([O-])c1 ZINC000271159264 403270846 /nfs/dbraw/zinc/27/08/46/403270846.db2.gz JGIVVFDLARSNHR-UHFFFAOYSA-N 0 3 322.449 2.070 20 10 DECDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCCS(=O)(=O)C2)c([O-])c1 ZINC000294002899 403620502 /nfs/dbraw/zinc/62/05/02/403620502.db2.gz CTYBRMGYYDYUBH-ZIAGYGMSSA-N 0 3 311.447 2.484 20 10 DECDHN O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000294748132 403727337 /nfs/dbraw/zinc/72/73/37/403727337.db2.gz HWVJMJQTEXTZKB-QWHCGFSZSA-N 0 3 314.360 2.312 20 10 DECDHN O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000294748132 403727339 /nfs/dbraw/zinc/72/73/39/403727339.db2.gz HWVJMJQTEXTZKB-QWHCGFSZSA-N 0 3 314.360 2.312 20 10 DECDHN Cc1ccc([O-])c(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)c1 ZINC000295065441 403748712 /nfs/dbraw/zinc/74/87/12/403748712.db2.gz GUXFMRBPPFLYKY-UHFFFAOYSA-N 0 3 311.447 2.394 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)cc1OC ZINC000295185129 403786985 /nfs/dbraw/zinc/78/69/85/403786985.db2.gz IDGRKCSXRKWCFF-CYBMUJFWSA-N 0 3 309.406 2.392 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](O)CC(C)(C)C2)cc1OC ZINC000295185129 403786988 /nfs/dbraw/zinc/78/69/88/403786988.db2.gz IDGRKCSXRKWCFF-CYBMUJFWSA-N 0 3 309.406 2.392 20 10 DECDHN CCOc1ccc([O-])c(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c1 ZINC000289947984 404011936 /nfs/dbraw/zinc/01/19/36/404011936.db2.gz YPWOCJLUALZNGV-ZBFHGGJFSA-N 0 3 320.433 2.086 20 10 DECDHN CCOc1ccc([O-])c(C[N@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c1 ZINC000289947984 404011941 /nfs/dbraw/zinc/01/19/41/404011941.db2.gz YPWOCJLUALZNGV-ZBFHGGJFSA-N 0 3 320.433 2.086 20 10 DECDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c1 ZINC000363869456 404232942 /nfs/dbraw/zinc/23/29/42/404232942.db2.gz RBUKLGVQPOSYPQ-UONOGXRCSA-N 0 3 300.406 2.364 20 10 DECDHN COc1ccc(C[NH2+]Cc2c[nH]nc2-c2cccnc2)c([O-])c1 ZINC000365562868 404691360 /nfs/dbraw/zinc/69/13/60/404691360.db2.gz RIJMQNAUVPILGD-UHFFFAOYSA-N 0 3 310.357 2.476 20 10 DECDHN CCOc1ccc(O)c(CN[C@@H]2COc3ccccc3[C@@H]2O)c1 ZINC000377400772 227189325 /nfs/dbraw/zinc/18/93/25/227189325.db2.gz GYQZLTHDNFMGFX-QAPCUYQASA-N 0 3 315.369 2.375 20 10 DECDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2COc3ccccc3[C@@H]2O)c1 ZINC000377400772 227189329 /nfs/dbraw/zinc/18/93/29/227189329.db2.gz GYQZLTHDNFMGFX-QAPCUYQASA-N 0 3 315.369 2.375 20 10 DECDHN C[C@@H]1C[C@H]([NH2+]CCN2CCC(O)CC2)c2c1c(F)ccc2[O-] ZINC000834901854 649858777 /nfs/dbraw/zinc/85/87/77/649858777.db2.gz ACODTOUOPXLCOK-RISCZKNCSA-N 0 3 308.397 2.126 20 10 DECDHN O=C(c1cn[n-]c1[C@H]1CC[NH2+]C1)N1CC2(CC2)c2ccccc21 ZINC000662469913 425660349 /nfs/dbraw/zinc/66/03/49/425660349.db2.gz MGYLSUOOFGOHQN-LBPRGKRZSA-N 0 3 308.385 2.179 20 10 DECDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000172961086 275061493 /nfs/dbraw/zinc/06/14/93/275061493.db2.gz VTPKJFHYSDBNMN-MRXNPFEDSA-N 0 3 312.413 2.452 20 10 DECDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000172961086 275061494 /nfs/dbraw/zinc/06/14/94/275061494.db2.gz VTPKJFHYSDBNMN-MRXNPFEDSA-N 0 3 312.413 2.452 20 10 DECDHN CN(C)c1ccc(/C=C\CN2CCN(C(C)(C)CO)CC2)cc1 ZINC000835027358 649868474 /nfs/dbraw/zinc/86/84/74/649868474.db2.gz DVKWWKUUWSZXEG-WAYWQWQTSA-N 0 3 317.477 2.154 20 10 DECDHN CC(=O)NC1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835029694 649869178 /nfs/dbraw/zinc/86/91/78/649869178.db2.gz YVEVJGJJMGMOSO-PLNGDYQASA-N 0 3 301.434 2.366 20 10 DECDHN CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000182526286 521497316 /nfs/dbraw/zinc/49/73/16/521497316.db2.gz KLGZDOPTJMMZEP-CYBMUJFWSA-N 0 3 306.406 2.210 20 10 DECDHN CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000182526286 521497317 /nfs/dbraw/zinc/49/73/17/521497317.db2.gz KLGZDOPTJMMZEP-CYBMUJFWSA-N 0 3 306.406 2.210 20 10 DECDHN COc1cc([O-])c(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)cc1OC ZINC000181095743 522768614 /nfs/dbraw/zinc/76/86/14/522768614.db2.gz CZDVVWUNBIXOCK-JSGCOSHPSA-N 0 3 309.406 2.392 20 10 DECDHN COc1cc([O-])c(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)cc1OC ZINC000181095743 522768630 /nfs/dbraw/zinc/76/86/30/522768630.db2.gz CZDVVWUNBIXOCK-JSGCOSHPSA-N 0 3 309.406 2.392 20 10 DECDHN CO[C@@H](C)[C@H](C)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000268820722 523441330 /nfs/dbraw/zinc/44/13/30/523441330.db2.gz HONWHTRMZHRDER-STQMWFEESA-N 0 3 310.413 2.300 20 10 DECDHN Cc1cccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1[O-] ZINC000375015058 534710839 /nfs/dbraw/zinc/71/08/39/534710839.db2.gz CAFBDXBHQLFGDZ-AEFFLSMTSA-N 0 3 317.477 2.158 20 10 DECDHN Cc1cccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1[O-] ZINC000375015058 534710845 /nfs/dbraw/zinc/71/08/45/534710845.db2.gz CAFBDXBHQLFGDZ-AEFFLSMTSA-N 0 3 317.477 2.158 20 10 DECDHN CC[C@]1(CO)CCCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000190212785 523615457 /nfs/dbraw/zinc/61/54/57/523615457.db2.gz XJKVOSWAUKIVBC-KRWDZBQOSA-N 0 3 309.406 2.394 20 10 DECDHN CC[C@]1(CO)CCC[N@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000190212785 523615464 /nfs/dbraw/zinc/61/54/64/523615464.db2.gz XJKVOSWAUKIVBC-KRWDZBQOSA-N 0 3 309.406 2.394 20 10 DECDHN CC[C@]1(CO)CCC[N@@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000190212785 523615471 /nfs/dbraw/zinc/61/54/71/523615471.db2.gz XJKVOSWAUKIVBC-KRWDZBQOSA-N 0 3 309.406 2.394 20 10 DECDHN C[C@H]1CN(Cc2ccc(N(C)C)cc2)CCN1CC(C)(C)O ZINC000188898661 524621121 /nfs/dbraw/zinc/62/11/21/524621121.db2.gz LSWCDBJKWYRADK-HNNXBMFYSA-N 0 3 305.466 2.030 20 10 DECDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c1 ZINC000179931054 524740675 /nfs/dbraw/zinc/74/06/75/524740675.db2.gz OGSKPHZWLUVDJE-CQSZACIVSA-N 0 3 320.433 2.385 20 10 DECDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c1 ZINC000179931054 524740681 /nfs/dbraw/zinc/74/06/81/524740681.db2.gz OGSKPHZWLUVDJE-CQSZACIVSA-N 0 3 320.433 2.385 20 10 DECDHN C[C@@](O)(C[NH2+]Cc1cc2c(cc1[O-])OCO2)c1ccc(F)cc1 ZINC000157855854 525774302 /nfs/dbraw/zinc/77/43/02/525774302.db2.gz DCFRNZYCBIPRQC-QGZVFWFLSA-N 0 3 319.332 2.257 20 10 DECDHN [O-]c1cc2c(cc1C[NH2+]C[C@H](O)c1ccc(F)cc1)OCO2 ZINC000238060189 526337160 /nfs/dbraw/zinc/33/71/60/526337160.db2.gz YESLVUXIWXKFFD-AWEZNQCLSA-N 0 3 305.305 2.083 20 10 DECDHN O=C(c1cccc(O)c1[O-])N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000189525698 526772562 /nfs/dbraw/zinc/77/25/62/526772562.db2.gz DYCUUAPCTYIUCV-SWLSCSKDSA-N 0 3 316.401 2.187 20 10 DECDHN O=C(c1cccc(O)c1[O-])N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000189525698 526772565 /nfs/dbraw/zinc/77/25/65/526772565.db2.gz DYCUUAPCTYIUCV-SWLSCSKDSA-N 0 3 316.401 2.187 20 10 DECDHN CC1CCN(c2ccc(CNC(=O)[C@]3(F)CCNC3)cc2)CC1 ZINC000371262584 528266303 /nfs/dbraw/zinc/26/63/03/528266303.db2.gz NYSIZMQWSXLKSX-SFHVURJKSA-N 0 3 319.424 2.241 20 10 DECDHN C[C@H](NC/C=C/c1ccc(N(C)C)cc1)C1(S(C)(=O)=O)CC1 ZINC000835052492 649872282 /nfs/dbraw/zinc/87/22/82/649872282.db2.gz DOFOWQJFWRHJIF-GJBLVYBDSA-N 0 3 322.474 2.321 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)CC2CSC2)N(C)C)cc1 ZINC000891245583 623789227 /nfs/dbraw/zinc/78/92/27/623789227.db2.gz GZXGJULXNLVGQK-INIZCTEOSA-N 0 3 321.490 2.225 20 10 DECDHN CC(C)OCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891256250 623803213 /nfs/dbraw/zinc/80/32/13/623803213.db2.gz WLFLGWFRENBTFY-KRWDZBQOSA-N 0 3 321.465 2.287 20 10 DECDHN CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1[O-] ZINC000176224882 624707967 /nfs/dbraw/zinc/70/79/67/624707967.db2.gz JYSJQGNCSCNXMP-UHFFFAOYSA-N 0 3 304.350 2.409 20 10 DECDHN CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1[O-] ZINC000176224882 624707977 /nfs/dbraw/zinc/70/79/77/624707977.db2.gz JYSJQGNCSCNXMP-UHFFFAOYSA-N 0 3 304.350 2.409 20 10 DECDHN COC[C@](C)(CC(=O)OC)NCc1ccc2c(c1)CCCO2 ZINC000893557993 634671375 /nfs/dbraw/zinc/67/13/75/634671375.db2.gz LFKHMYBZYDFMDY-KRWDZBQOSA-N 0 3 307.390 2.069 20 10 DECDHN COc1cc(Br)cc(C[NH2+]C[C@@H](O)C2CC2)c1[O-] ZINC000734844564 633430533 /nfs/dbraw/zinc/43/05/33/633430533.db2.gz NTVOFWUOYYSNLD-LLVKDONJSA-N 0 3 316.195 2.024 20 10 DECDHN O=[S@](CCNCc1ccc2c(c1)CCCO2)CC(F)(F)F ZINC000922237347 636025672 /nfs/dbraw/zinc/02/56/72/636025672.db2.gz JDLBKFCPPOHSSW-OAQYLSRUSA-N 0 3 321.364 2.412 20 10 DECDHN O=[S@@](CCNCc1ccc2c(c1)CCCO2)CC(F)(F)F ZINC000922237345 636025941 /nfs/dbraw/zinc/02/59/41/636025941.db2.gz JDLBKFCPPOHSSW-NRFANRHFSA-N 0 3 321.364 2.412 20 10 DECDHN CCOc1cccc(CNCc2cccc(C(N)=O)c2)c1O ZINC000236950004 636138965 /nfs/dbraw/zinc/13/89/65/636138965.db2.gz PZDBDLAREDLVRY-UHFFFAOYSA-N 0 3 300.358 2.180 20 10 DECDHN COC(=O)c1c(CN[C@@H]2CCCOC2)c2cc(F)ccc2n1C ZINC000894229002 636506112 /nfs/dbraw/zinc/50/61/12/636506112.db2.gz DWOLHOIOHRGWOJ-GFCCVEGCSA-N 0 3 320.364 2.373 20 10 DECDHN COc1cccc([O-])c1C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000894682837 637162594 /nfs/dbraw/zinc/16/25/94/637162594.db2.gz BUBIBWSBRMCUOS-STQMWFEESA-N 0 3 307.312 2.438 20 10 DECDHN C[C@H](F)CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895052171 637422554 /nfs/dbraw/zinc/42/25/54/637422554.db2.gz SKDUUZLSCRMGHU-XJKSGUPXSA-N 0 3 324.444 2.403 20 10 DECDHN COC(=O)c1c(CN(C)[C@@H](C)CCO)c2cc(F)ccc2n1C ZINC000895149601 637671098 /nfs/dbraw/zinc/67/10/98/637671098.db2.gz MCEGXCBUEFFTMH-NSHDSACASA-N 0 3 322.380 2.307 20 10 DECDHN Cc1cc(N(C)C)ccc1CNCC(=O)NCc1ccccc1 ZINC000840933322 650389163 /nfs/dbraw/zinc/38/91/63/650389163.db2.gz NBDFTUBYSYDYLL-UHFFFAOYSA-N 0 3 311.429 2.467 20 10 DECDHN COCCn1cc(CNCc2ccc(N(C)C)cc2C)cn1 ZINC000742371389 638064601 /nfs/dbraw/zinc/06/46/01/638064601.db2.gz UUUYKXSUFAINTC-UHFFFAOYSA-N 0 3 302.422 2.194 20 10 DECDHN CSCC[C@H](NCc1ccc(N(C)C)cc1C)C(=O)N(C)C ZINC000840945122 650392597 /nfs/dbraw/zinc/39/25/97/650392597.db2.gz AFQKUOMJBNEEQC-INIZCTEOSA-N 0 3 323.506 2.361 20 10 DECDHN Oc1cc2c(cc1CN1C[C@@H](O)C[C@@H]1c1ccccc1)OCO2 ZINC000840956174 650395121 /nfs/dbraw/zinc/39/51/21/650395121.db2.gz KGOGOPZMVVOEDI-LSDHHAIUSA-N 0 3 313.353 2.429 20 10 DECDHN CCO/C=C\[C@](O)(C[NH2+]Cc1ccccc1[O-])C(F)(F)F ZINC000895707414 638154053 /nfs/dbraw/zinc/15/40/53/638154053.db2.gz LMWXKRACPHSBBZ-WSROAFLRSA-N 0 3 305.296 2.325 20 10 DECDHN Cc1ccc(C[NH+]2CCC([C@]3(C)COC(=O)N3)CC2)c([O-])c1 ZINC000896471446 638531920 /nfs/dbraw/zinc/53/19/20/638531920.db2.gz LQYWNFVCIFFKAE-KRWDZBQOSA-N 0 3 304.390 2.411 20 10 DECDHN C[C@@H]1C[C@@H]([NH2+]CCCS(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000756535541 639670363 /nfs/dbraw/zinc/67/03/63/639670363.db2.gz QYNFVXAKZMTLTP-MWLCHTKSSA-N 0 3 301.383 2.104 20 10 DECDHN [O-]c1ccc2ccncc2c1C[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000756864341 639706099 /nfs/dbraw/zinc/70/60/99/639706099.db2.gz XKGKMGUZGKCBTL-ZWKOTPCHSA-N 0 3 314.385 2.320 20 10 DECDHN [O-]c1ccc2ccncc2c1C[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000756864341 639706112 /nfs/dbraw/zinc/70/61/12/639706112.db2.gz XKGKMGUZGKCBTL-ZWKOTPCHSA-N 0 3 314.385 2.320 20 10 DECDHN COc1ccc(O)c([C@@H](C)NCC(=O)N(C)Cc2ccco2)c1 ZINC000839540341 639752689 /nfs/dbraw/zinc/75/26/89/639752689.db2.gz TVOCLNSKTDDMOJ-GFCCVEGCSA-N 0 3 318.373 2.303 20 10 DECDHN CN(C)C(=O)NCCN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000757864221 639890187 /nfs/dbraw/zinc/89/01/87/639890187.db2.gz GKQPKWWYPNLYGV-UHFFFAOYSA-N 0 3 318.465 2.380 20 10 DECDHN C[C@H](NC(=O)N1CCN[C@H](C)[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000841881729 650590925 /nfs/dbraw/zinc/59/09/25/650590925.db2.gz UKSMWZFJJXTYGT-RDBSUJKOSA-N 0 3 304.438 2.205 20 10 DECDHN C[C@H](NC(=O)N1CCN[C@@H](C)[C@H]1C)c1ccc(N(C)C)cc1 ZINC000841881727 650591224 /nfs/dbraw/zinc/59/12/24/650591224.db2.gz UKSMWZFJJXTYGT-MELADBBJSA-N 0 3 304.438 2.205 20 10 DECDHN CCN(C)c1ccc([C@H](C)NCc2ccc(C(N)=O)nc2)cc1 ZINC000766532017 640892447 /nfs/dbraw/zinc/89/24/47/640892447.db2.gz UKQZXGWGJDALPX-ZDUSSCGKSA-N 0 3 312.417 2.487 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)c([O-])c1 ZINC000769334365 641220606 /nfs/dbraw/zinc/22/06/06/641220606.db2.gz NYSHDVPZHYGHQY-AWEZNQCLSA-N 0 3 302.378 2.220 20 10 DECDHN CCOc1ccc(C[N@H+]2CCC[C@H](n3cncn3)C2)c([O-])c1 ZINC000769334365 641220614 /nfs/dbraw/zinc/22/06/14/641220614.db2.gz NYSHDVPZHYGHQY-AWEZNQCLSA-N 0 3 302.378 2.220 20 10 DECDHN Cc1nnsc1CNC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898449330 641660641 /nfs/dbraw/zinc/66/06/41/641660641.db2.gz BLWTURYAAGWPGK-OAHLLOKOSA-N 0 3 319.478 2.305 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CC23CC3)N(C)C)cc1 ZINC000899097678 641930838 /nfs/dbraw/zinc/93/08/38/641930838.db2.gz DYTYQTCOTLMLNP-HOTGVXAUSA-N 0 3 316.449 2.207 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)N2CC(C)(C)C2)N(C)C)cc1 ZINC000899105256 641936035 /nfs/dbraw/zinc/93/60/35/641936035.db2.gz VYYPGZNLTLSKGO-INIZCTEOSA-N 0 3 318.465 2.407 20 10 DECDHN CCN(CC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100719 641941836 /nfs/dbraw/zinc/94/18/36/641941836.db2.gz CGBLHIZBOQYZEE-MRXNPFEDSA-N 0 3 306.454 2.407 20 10 DECDHN CCOc1ccc(C[NH2+]CCCCCS(C)(=O)=O)c([O-])c1 ZINC000775375355 642036608 /nfs/dbraw/zinc/03/66/08/642036608.db2.gz QXSBKWPLDBNGNR-UHFFFAOYSA-N 0 3 315.435 2.095 20 10 DECDHN C[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)[C@@H](C)CO1 ZINC000775653256 642072818 /nfs/dbraw/zinc/07/28/18/642072818.db2.gz BJZXWZCHNCQRAN-HOTGVXAUSA-N 0 3 303.450 2.048 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1C1CCOCC1)[C@@H](O)CO2 ZINC000776771745 642207322 /nfs/dbraw/zinc/20/73/22/642207322.db2.gz JBJDVQWEWJKZOB-RDJZCZTQSA-N 0 3 319.401 2.209 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1C1CCOCC1)[C@@H](O)CO2 ZINC000776771745 642207324 /nfs/dbraw/zinc/20/73/24/642207324.db2.gz JBJDVQWEWJKZOB-RDJZCZTQSA-N 0 3 319.401 2.209 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](OCC3CC3)C1)[C@H](O)CO2 ZINC000777554798 642280222 /nfs/dbraw/zinc/28/02/22/642280222.db2.gz JBSGIIOYDISLBF-RHSMWYFYSA-N 0 3 319.401 2.209 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](OCC3CC3)C1)[C@H](O)CO2 ZINC000777554798 642280227 /nfs/dbraw/zinc/28/02/27/642280227.db2.gz JBSGIIOYDISLBF-RHSMWYFYSA-N 0 3 319.401 2.209 20 10 DECDHN CC[C@]1(O)CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000779219041 642473540 /nfs/dbraw/zinc/47/35/40/642473540.db2.gz KWJDAMSLHSLWGI-KRWDZBQOSA-N 0 3 308.397 2.009 20 10 DECDHN COc1cc(Br)cc(C[NH2+][C@@H](C)C[C@@H](C)O)c1[O-] ZINC000782980748 642949731 /nfs/dbraw/zinc/94/97/31/642949731.db2.gz WWOJKKFBUBTOGR-DTWKUNHWSA-N 0 3 318.211 2.412 20 10 DECDHN COc1cc(Br)cc(C[NH2+][C@@H](C)C[C@H](C)O)c1[O-] ZINC000782980750 642949738 /nfs/dbraw/zinc/94/97/38/642949738.db2.gz WWOJKKFBUBTOGR-IUCAKERBSA-N 0 3 318.211 2.412 20 10 DECDHN C[C@H]1CN(CC(C)(C)O)CCN1Cc1ccc(N(C)C)c(F)c1 ZINC000783701920 643038898 /nfs/dbraw/zinc/03/88/98/643038898.db2.gz AOBNKSDPEYOLBY-AWEZNQCLSA-N 0 3 323.456 2.169 20 10 DECDHN CCn1cnc(CNC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000902724107 643121328 /nfs/dbraw/zinc/12/13/28/643121328.db2.gz SAAAPMPXWYVCII-GOSISDBHSA-N 0 3 315.465 2.362 20 10 DECDHN CC(=O)c1cc(F)cc(CN[C@H]2CC[NH2+]C23CCCC3)c1[O-] ZINC000903485319 643363323 /nfs/dbraw/zinc/36/33/23/643363323.db2.gz MBHMPQSBUOZITH-HNNXBMFYSA-N 0 3 306.381 2.498 20 10 DECDHN COC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])[C@H]1CCCO1 ZINC000789777528 643775389 /nfs/dbraw/zinc/77/53/89/643775389.db2.gz WMMQCUSCIZVFDZ-QWHCGFSZSA-N 0 3 315.797 2.338 20 10 DECDHN COc1cc(C)cc(CN2C[C@H](C)OC3(CCOCC3)C2)c1O ZINC000790388681 643846290 /nfs/dbraw/zinc/84/62/90/643846290.db2.gz CFYHPOLGHVFOPE-AWEZNQCLSA-N 0 3 321.417 2.479 20 10 DECDHN CCn1ccc(C[N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)c1 ZINC000790450984 643854690 /nfs/dbraw/zinc/85/46/90/643854690.db2.gz LFOXOHFZMZAJFC-MRXNPFEDSA-N 0 3 302.374 2.271 20 10 DECDHN CCn1ccc(C[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)c1 ZINC000790450984 643854694 /nfs/dbraw/zinc/85/46/94/643854694.db2.gz LFOXOHFZMZAJFC-MRXNPFEDSA-N 0 3 302.374 2.271 20 10 DECDHN COc1cc(C)cc(CN2C[C@@H](C)O[C@]3(CCOC3)C2)c1O ZINC000794710594 644464847 /nfs/dbraw/zinc/46/48/47/644464847.db2.gz ZBTHTZREMLDGPI-CXAGYDPISA-N 0 3 307.390 2.089 20 10 DECDHN COc1ccc(O)c(CNCc2cnc(C3OCCO3)s2)c1 ZINC000809620480 646248915 /nfs/dbraw/zinc/24/89/15/646248915.db2.gz QUBAJZUXHIFQHR-UHFFFAOYSA-N 0 3 322.386 2.193 20 10 DECDHN COc1cccc(O)c1CN1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000809697823 646265636 /nfs/dbraw/zinc/26/56/36/646265636.db2.gz PBAVMUWQNBVHLI-ZYHUDNBSSA-N 0 3 319.323 2.394 20 10 DECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000809697823 646265641 /nfs/dbraw/zinc/26/56/41/646265641.db2.gz PBAVMUWQNBVHLI-ZYHUDNBSSA-N 0 3 319.323 2.394 20 10 DECDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000809697823 646265647 /nfs/dbraw/zinc/26/56/47/646265647.db2.gz PBAVMUWQNBVHLI-ZYHUDNBSSA-N 0 3 319.323 2.394 20 10 DECDHN C[C@@H]1C[C@H]([NH2+]CCCc2cnn(C)n2)c2c1c(F)ccc2[O-] ZINC000815639973 647037365 /nfs/dbraw/zinc/03/73/65/647037365.db2.gz MIBUZXHWMZCBQE-MFKMUULPSA-N 0 3 304.369 2.431 20 10 DECDHN COCCNCC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000817964442 647394550 /nfs/dbraw/zinc/39/45/50/647394550.db2.gz CWCWROYYIUJWOS-JTQLQIEISA-N 0 3 317.227 2.041 20 10 DECDHN C[C@@H](CNC(=O)NCc1c([O-])cccc1F)[NH+]1CCC(C)CC1 ZINC000915073551 647475656 /nfs/dbraw/zinc/47/56/56/647475656.db2.gz VESDFPISWHXINC-ZDUSSCGKSA-N 0 3 323.412 2.451 20 10 DECDHN CN(C[C@@H](O)C[N@H+](C)Cc1ccccc1[O-])C(=O)OC(C)(C)C ZINC000822740057 648275260 /nfs/dbraw/zinc/27/52/60/648275260.db2.gz KZOSSFIBUYMPKW-AWEZNQCLSA-N 0 3 324.421 2.052 20 10 DECDHN CN(C[C@@H](O)C[N@@H+](C)Cc1ccccc1[O-])C(=O)OC(C)(C)C ZINC000822740057 648275264 /nfs/dbraw/zinc/27/52/64/648275264.db2.gz KZOSSFIBUYMPKW-AWEZNQCLSA-N 0 3 324.421 2.052 20 10 DECDHN CCOc1ccc(C[N@@H+]2CC[C@@H](CN3CCOC3=O)C2)c([O-])c1 ZINC000824451310 648590664 /nfs/dbraw/zinc/59/06/64/648590664.db2.gz RVRDGPHMUSNKTH-CYBMUJFWSA-N 0 3 320.389 2.065 20 10 DECDHN CCOc1ccc(C[N@H+]2CC[C@@H](CN3CCOC3=O)C2)c([O-])c1 ZINC000824451310 648590667 /nfs/dbraw/zinc/59/06/67/648590667.db2.gz RVRDGPHMUSNKTH-CYBMUJFWSA-N 0 3 320.389 2.065 20 10 DECDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])C(=O)NCCc1ccccc1 ZINC000825040356 648690305 /nfs/dbraw/zinc/69/03/05/648690305.db2.gz HXUGWNYBHGBXDB-ZDUSSCGKSA-N 0 3 316.376 2.368 20 10 DECDHN COc1ccc(N2CC[C@H](NCc3cn4cccnc4n3)C2)cc1 ZINC000826846673 648936044 /nfs/dbraw/zinc/93/60/44/648936044.db2.gz XHZPQPVAMOZLHE-AWEZNQCLSA-N 0 3 323.400 2.106 20 10 DECDHN Cc1cc(Cl)cc(CN2CC[C@H](N3CCOC3=O)C2)c1O ZINC000827000034 648959015 /nfs/dbraw/zinc/95/90/15/648959015.db2.gz GRZPOUUNYRVZBH-ZDUSSCGKSA-N 0 3 310.781 2.381 20 10 DECDHN CCN(CC)c1ccc(CNC(=O)[C@@H](N)CC(F)F)cc1F ZINC000829038511 649263696 /nfs/dbraw/zinc/26/36/96/649263696.db2.gz JJXAGIAUERWWKH-LBPRGKRZSA-N 0 3 317.355 2.271 20 10 DECDHN COc1ccc(N2CC[C@H](CNC(=O)[C@@H](N)CC(C)C)C2)cc1 ZINC000831753628 649638304 /nfs/dbraw/zinc/63/83/04/649638304.db2.gz ONOSIBWQOQXRAB-PBHICJAKSA-N 0 3 319.449 2.011 20 10 DECDHN Cc1cc(CN2CCC[C@@H](NC(=O)N(C)C)C2)ccc1N(C)C ZINC000832549760 649723698 /nfs/dbraw/zinc/72/36/98/649723698.db2.gz DPFIWVHKCMEFDD-MRXNPFEDSA-N 0 3 318.465 2.297 20 10 DECDHN COc1ccc(N2CCN(CCCc3cncn3C)CC2)cc1 ZINC000846762696 651349839 /nfs/dbraw/zinc/34/98/39/651349839.db2.gz JCQNGNUJUHLMGQ-UHFFFAOYSA-N 0 3 314.433 2.184 20 10 DECDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)CO)c1[O-] ZINC000848529188 651467764 /nfs/dbraw/zinc/46/77/64/651467764.db2.gz LFGDYHCWBSHLDX-YUMQZZPRSA-N 0 3 304.184 2.195 20 10 DECDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c(nnn3C)C2)c2c1c(F)ccc2[O-] ZINC000848562272 651471207 /nfs/dbraw/zinc/47/12/07/651471207.db2.gz BXNWRVAOIRYLGG-GBIKHYSHSA-N 0 3 316.380 2.355 20 10 DECDHN COc1cc(CNCC(=O)NC2CC2)c(O)c(C(C)(C)C)c1 ZINC000850023719 651806685 /nfs/dbraw/zinc/80/66/85/651806685.db2.gz AMQDSDGRABZWED-UHFFFAOYSA-N 0 3 306.406 2.067 20 10 DECDHN COc1ccc(N2CC[C@@H](NCc3cnc(Cl)n3C)C2)cc1 ZINC000850347372 651905783 /nfs/dbraw/zinc/90/57/83/651905783.db2.gz RHKVSANOXOHTEM-GFCCVEGCSA-N 0 3 320.824 2.451 20 10 DECDHN [O-]c1ccccc1C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000850396359 651919205 /nfs/dbraw/zinc/91/92/05/651919205.db2.gz UPGPBFWWQNMOQF-IAGOWNOFSA-N 0 3 302.418 2.125 20 10 DECDHN Cn1nccc1[C@H](O)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000857063446 652044335 /nfs/dbraw/zinc/04/43/35/652044335.db2.gz TUCXBVOBTGXVAH-QGZVFWFLSA-N 0 3 319.380 2.210 20 10 DECDHN [O-]c1ccccc1C[NH2+]CC[C@@H](O)COCc1ccccc1 ZINC000858332406 652309496 /nfs/dbraw/zinc/30/94/96/652309496.db2.gz UZMZEDDOECRQOP-QGZVFWFLSA-N 0 3 301.386 2.450 20 10 DECDHN Cc1cc(CN2CC[C@@H](N(C)C(=O)N(C)C)C2)ccc1N(C)C ZINC000852653574 652433751 /nfs/dbraw/zinc/43/37/51/652433751.db2.gz WQUXWTBNVQEXNN-MRXNPFEDSA-N 0 3 318.465 2.249 20 10 DECDHN CC(=O)c1cc(F)cc(CN(C)[C@H](C[NH3+])C(F)(F)F)c1[O-] ZINC000852762755 652452540 /nfs/dbraw/zinc/45/25/40/652452540.db2.gz VRFXRHDPCOWEEA-LLVKDONJSA-N 0 3 308.275 2.055 20 10 DECDHN CC[C@](C)(O)C[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000111384752 652561904 /nfs/dbraw/zinc/56/19/04/652561904.db2.gz BLBOXCIBSDWGOM-ZDUSSCGKSA-N 0 3 318.211 2.414 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@H+](C)C[C@H]3COCCO3)c2c1 ZINC000853560641 652568415 /nfs/dbraw/zinc/56/84/15/652568415.db2.gz XQRVGDVHPLGUEV-HNNXBMFYSA-N 0 3 317.385 2.401 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@@H+](C)C[C@H]3COCCO3)c2c1 ZINC000853560641 652568418 /nfs/dbraw/zinc/56/84/18/652568418.db2.gz XQRVGDVHPLGUEV-HNNXBMFYSA-N 0 3 317.385 2.401 20 10 DECDHN CC(C)N1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000127019755 684159476 /nfs/dbraw/zinc/15/94/76/684159476.db2.gz HGENMJUCAUOBBX-UHFFFAOYSA-N 0 3 321.440 2.188 20 10 DECDHN Cc1ccc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c([O-])c1O ZINC000246475247 685131092 /nfs/dbraw/zinc/13/10/92/685131092.db2.gz OJLSIFWDTLRUPL-YPMHNXCESA-N 0 3 306.406 2.256 20 10 DECDHN Cc1ccc(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)c([O-])c1O ZINC000246475247 685131094 /nfs/dbraw/zinc/13/10/94/685131094.db2.gz OJLSIFWDTLRUPL-YPMHNXCESA-N 0 3 306.406 2.256 20 10 DECDHN CN(C)c1cc(F)c(CN(C)CC2(O)CCOCC2)cc1F ZINC000862335438 686277346 /nfs/dbraw/zinc/27/73/46/686277346.db2.gz GAARIMMKQXPLHG-UHFFFAOYSA-N 0 3 314.376 2.004 20 10 DECDHN CN(C)c1ccc(/C=C/CNC2CN(c3ccncn3)C2)cc1 ZINC000865747110 687321031 /nfs/dbraw/zinc/32/10/31/687321031.db2.gz OJGRSTGSYJIUSG-ONEGZZNKSA-N 0 3 309.417 2.034 20 10 DECDHN [O-]c1cc2c(cc1C[NH2+][C@@H](C1CCC1)[C@H]1CCOC1)OCO2 ZINC000865762919 687326439 /nfs/dbraw/zinc/32/64/39/687326439.db2.gz YQQRFGNSFMDLFL-SJCJKPOMSA-N 0 3 305.374 2.416 20 10 DECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000865781100 687332177 /nfs/dbraw/zinc/33/21/77/687332177.db2.gz VUAJWIVWBVQPHF-ZDUSSCGKSA-N 0 3 307.390 2.076 20 10 DECDHN CC(C)(C)OC(=O)COCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000866437259 687572905 /nfs/dbraw/zinc/57/29/05/687572905.db2.gz DCSOFOYIJRXIKL-CYBMUJFWSA-N 0 3 307.390 2.327 20 10 DECDHN CO[C@@]1(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CCOC1 ZINC000876531651 689849308 /nfs/dbraw/zinc/84/93/08/689849308.db2.gz LJPDGERTBSKXGI-FUHWJXTLSA-N 0 3 321.417 2.179 20 10 DECDHN CO[C@@]1(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CCOC1 ZINC000876531651 689849309 /nfs/dbraw/zinc/84/93/09/689849309.db2.gz LJPDGERTBSKXGI-FUHWJXTLSA-N 0 3 321.417 2.179 20 10 DECDHN Cc1ccc(C[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)c([O-])c1 ZINC000877126168 690024391 /nfs/dbraw/zinc/02/43/91/690024391.db2.gz FWZWLMRYCORMAN-FUHWJXTLSA-N 0 3 301.386 2.275 20 10 DECDHN CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877501292 690132512 /nfs/dbraw/zinc/13/25/12/690132512.db2.gz NYSDTDFZDOBHSP-SFHVURJKSA-N 0 3 321.417 2.492 20 10 DECDHN CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877501292 690132514 /nfs/dbraw/zinc/13/25/14/690132514.db2.gz NYSDTDFZDOBHSP-SFHVURJKSA-N 0 3 321.417 2.492 20 10 DECDHN Cc1ccc(C[NH2+][C@H]2CCO[C@H](c3ccnn3C)C2)c([O-])c1 ZINC000877569967 690155072 /nfs/dbraw/zinc/15/50/72/690155072.db2.gz BPYQDXLVAAJTTI-YOEHRIQHSA-N 0 3 301.390 2.444 20 10 DECDHN Cc1ccc(C[NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)c([O-])c1 ZINC000877576296 690156783 /nfs/dbraw/zinc/15/67/83/690156783.db2.gz ITJRBITZXVPPKH-ZBFHGGJFSA-N 0 3 301.390 2.444 20 10 DECDHN Cc1ccc(C[NH2+][C@H]2CCO[C@@H](c3nccn3C)C2)c([O-])c1 ZINC000877576294 690156878 /nfs/dbraw/zinc/15/68/78/690156878.db2.gz ITJRBITZXVPPKH-GOEBONIOSA-N 0 3 301.390 2.444 20 10 DECDHN COc1ccc(N2CCN(C[C@@H]3CCCOC3)CC2)c(OC)c1 ZINC000877708143 690198558 /nfs/dbraw/zinc/19/85/58/690198558.db2.gz BIQVZVLEJAHRFB-HNNXBMFYSA-N 0 3 320.433 2.252 20 10 DECDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2C[C@H](O)C2)c1[O-] ZINC000877811543 690238582 /nfs/dbraw/zinc/23/85/82/690238582.db2.gz OCOWYIQUGYWUII-OTCDBFHCSA-N 0 3 300.196 2.324 20 10 DECDHN CN(C)c1ccc(CN2CCC(c3nnc(N)o3)CC2)cc1 ZINC000878814883 690506053 /nfs/dbraw/zinc/50/60/53/690506053.db2.gz WSEJQGJKMJDMJL-UHFFFAOYSA-N 0 3 301.394 2.097 20 10 DECDHN C[C@H]([NH2+]CC(=O)NCC(=O)c1cccs1)c1ccccc1[O-] ZINC000879650873 690699000 /nfs/dbraw/zinc/69/90/00/690699000.db2.gz VCFYWXOZLNVMMW-NSHDSACASA-N 0 3 318.398 2.103 20 10 DECDHN C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000879650337 690699196 /nfs/dbraw/zinc/69/91/96/690699196.db2.gz VPJPFMPDRYAASL-QWHCGFSZSA-N 0 3 324.421 2.271 20 10 DECDHN Nc1ccnc2c1CN(Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000931516030 694417885 /nfs/dbraw/zinc/41/78/85/694417885.db2.gz GNJXDAGENQIBFF-UHFFFAOYSA-N 0 3 324.428 2.059 20 10 DECDHN CN(C)c1cc(F)c(CN[C@@H](CO)C[C@@H]2CCCO2)cc1F ZINC000886220778 692027659 /nfs/dbraw/zinc/02/76/59/692027659.db2.gz MSNWAYWCDSBQHJ-OLZOCXBDSA-N 0 3 314.376 2.050 20 10 DECDHN C[C@@H]([NH2+]C[C@H](C)CN1CCN(C)CC1)c1c([O-])cccc1F ZINC000886522270 692100712 /nfs/dbraw/zinc/10/07/12/692100712.db2.gz GFFSPFVFDLDVMX-UONOGXRCSA-N 0 3 309.429 2.065 20 10 DECDHN COC1(OC)CC[C@@H]1N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000924794468 693186156 /nfs/dbraw/zinc/18/61/56/693186156.db2.gz FLTJLAXGGBHRSJ-YOEHRIQHSA-N 0 3 320.433 2.325 20 10 DECDHN C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cc(F)ccc1[O-] ZINC000927038141 693544533 /nfs/dbraw/zinc/54/45/33/693544533.db2.gz CJNRUCWPZDDEOD-SMHCIBLRSA-N 0 3 313.394 2.290 20 10 DECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC001353593208 1151840946 /nfs/dbraw/zinc/84/09/46/1151840946.db2.gz LHENAQLFYBZPFW-IBGZPJMESA-N 0 3 310.397 2.330 20 10 DECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC001353593208 1151840948 /nfs/dbraw/zinc/84/09/48/1151840948.db2.gz LHENAQLFYBZPFW-IBGZPJMESA-N 0 3 310.397 2.330 20 10 DECDHN CNC(=O)[C@H](Cc1ccccc1)NCc1ccc(OC)c(C)c1 ZINC001178482673 794935131 /nfs/dbraw/zinc/93/51/31/794935131.db2.gz IXNOTDRGRDVGDM-KRWDZBQOSA-N 0 3 312.413 2.451 20 10 DECDHN [NH3+][C@H]1C[C@@H](F)CN(Cc2c([O-])cccc2Br)C1 ZINC001206423706 795332079 /nfs/dbraw/zinc/33/20/79/795332079.db2.gz LOMUKPKWBSKEEZ-BDAKNGLRSA-N 0 3 303.175 2.026 20 10 DECDHN COC(=O)CC(C)(C)[N@H+](C)Cc1ccc(OC)c(OC)c1[O-] ZINC001119936937 795375904 /nfs/dbraw/zinc/37/59/04/795375904.db2.gz OLOOETGIFSXRQH-UHFFFAOYSA-N 0 3 311.378 2.183 20 10 DECDHN COC(=O)CC(C)(C)[N@@H+](C)Cc1ccc(OC)c(OC)c1[O-] ZINC001119936937 795375908 /nfs/dbraw/zinc/37/59/08/795375908.db2.gz OLOOETGIFSXRQH-UHFFFAOYSA-N 0 3 311.378 2.183 20 10 DECDHN CN(C)C[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001204324965 795620750 /nfs/dbraw/zinc/62/07/50/795620750.db2.gz PUCDXXUBKBIQJZ-GOSISDBHSA-N 0 3 303.450 2.049 20 10 DECDHN CCOc1cccc(CN2C[C@H](CO)[C@@H](C(F)(F)F)C2)c1O ZINC001203602289 796151558 /nfs/dbraw/zinc/15/15/58/796151558.db2.gz MPORZIMFHZDICG-NEPJUHHUSA-N 0 3 319.323 2.394 20 10 DECDHN Cc1cc(CN2CCC3(CC(=O)CO3)CC2)ccc1N(C)C ZINC001139671158 796408082 /nfs/dbraw/zinc/40/80/82/796408082.db2.gz SUODDPAGQFORGB-UHFFFAOYSA-N 0 3 302.418 2.385 20 10 DECDHN COC[C@H]1Cn2nccc2CN(Cc2cc(C)ccc2O)C1 ZINC001140620108 796546963 /nfs/dbraw/zinc/54/69/63/796546963.db2.gz CJVTZCACRNPWKR-CQSZACIVSA-N 0 3 301.390 2.176 20 10 DECDHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1ccc(N2CCOCC2)cc1F ZINC001140665917 796553293 /nfs/dbraw/zinc/55/32/93/796553293.db2.gz ZNWANVHYZYOOAS-LSDHHAIUSA-N 0 3 321.440 2.187 20 10 DECDHN Cc1c(O)ccc(CN2CCCC[C@@H]2C(=O)N2CCCC2)c1O ZINC001140746025 796566781 /nfs/dbraw/zinc/56/67/81/796566781.db2.gz SOKFSQNLKHEMHE-OAHLLOKOSA-N 0 3 318.417 2.383 20 10 DECDHN COC[C@@H]1CN(Cc2ccc(C)cc2O)Cc2cn(C)nc21 ZINC001140952193 796606776 /nfs/dbraw/zinc/60/67/76/796606776.db2.gz HZLBKJQQTRNCDS-HNNXBMFYSA-N 0 3 301.390 2.180 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CC(C)(C)C[C@]2(C)CO)c(OC)c1 ZINC001141031325 796621566 /nfs/dbraw/zinc/62/15/66/796621566.db2.gz DBEGFKKVLQRMBL-QGZVFWFLSA-N 0 3 309.406 2.392 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CC(C)(C)C[C@]2(C)CO)c(OC)c1 ZINC001141031325 796621570 /nfs/dbraw/zinc/62/15/70/796621570.db2.gz DBEGFKKVLQRMBL-QGZVFWFLSA-N 0 3 309.406 2.392 20 10 DECDHN O[C@H]1CN(Cc2cc3c4c(c2)CCCN4CCC3)CC[C@H]1F ZINC001141074866 796632215 /nfs/dbraw/zinc/63/22/15/796632215.db2.gz VNCNIZGIWFPCKW-SJORKVTESA-N 0 3 304.409 2.290 20 10 DECDHN CCOC(=O)[C@@H]1CCCN(Cc2ccc3c(c2)OCCN3C)C1 ZINC001141143945 796638997 /nfs/dbraw/zinc/63/89/97/796638997.db2.gz PDHYQSKRUHYXQA-OAHLLOKOSA-N 0 3 318.417 2.290 20 10 DECDHN Oc1ccc(O)c(CN2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)c1 ZINC001141155935 796641402 /nfs/dbraw/zinc/64/14/02/796641402.db2.gz AZOHPEAWDMCTHX-STQMWFEESA-N 0 3 323.286 2.325 20 10 DECDHN O=C1OC2(CC[NH+](Cc3ccccc3[O-])CC2)c2cnccc21 ZINC001203561316 800080434 /nfs/dbraw/zinc/08/04/34/800080434.db2.gz QANULWMXHLUKIJ-UHFFFAOYSA-N 0 3 310.353 2.449 20 10 DECDHN COc1ccc(C[NH+]2CCC(N3CC(F)(F)C3)CC2)c([O-])c1 ZINC001203627900 800094806 /nfs/dbraw/zinc/09/48/06/800094806.db2.gz RIKDLCQHWOHXGQ-UHFFFAOYSA-N 0 3 312.360 2.316 20 10 DECDHN CCC(=O)N(C)C1CC[NH+](Cc2ccc(OC)cc2[O-])CC1 ZINC001203634766 800095568 /nfs/dbraw/zinc/09/55/68/800095568.db2.gz URMCMOHGDIYXAK-UHFFFAOYSA-N 0 3 306.406 2.234 20 10 DECDHN CN(CCCNC(=O)OC(C)(C)C)Cc1ccc(O)c(O)c1 ZINC001203877380 800138095 /nfs/dbraw/zinc/13/80/95/800138095.db2.gz FEZVQYVFZAQNSL-UHFFFAOYSA-N 0 3 310.394 2.444 20 10 DECDHN Oc1ccc(CN2CC[C@@H](N3CCCCC3)[C@@H](F)C2)cc1O ZINC001203883095 800139646 /nfs/dbraw/zinc/13/96/46/800139646.db2.gz DPGMHQGPBJHDMN-LSDHHAIUSA-N 0 3 308.397 2.496 20 10 DECDHN COC[C@H]1COCCC12CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001204274845 800198091 /nfs/dbraw/zinc/19/80/91/800198091.db2.gz UQHAFMZVFUZQLC-HNNXBMFYSA-N 0 3 321.417 2.363 20 10 DECDHN O=C1NC[C@@]2(CCCN(Cc3ccc(N4CCCC4)cc3)C2)O1 ZINC001204322416 800204595 /nfs/dbraw/zinc/20/45/95/800204595.db2.gz RFPZBXBESWSTSY-GOSISDBHSA-N 0 3 315.417 2.361 20 10 DECDHN CC(C)(O)CN1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204329273 800205069 /nfs/dbraw/zinc/20/50/69/800205069.db2.gz JPZDSZJZTYPTPP-UHFFFAOYSA-N 0 3 317.477 2.175 20 10 DECDHN C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccc(Cl)cc1[O-] ZINC001205414553 800355094 /nfs/dbraw/zinc/35/50/94/800355094.db2.gz JMDYRSFFUGSYAQ-LBPRGKRZSA-N 0 3 312.841 2.323 20 10 DECDHN C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1ccc(Cl)cc1[O-] ZINC001205414553 800355098 /nfs/dbraw/zinc/35/50/98/800355098.db2.gz JMDYRSFFUGSYAQ-LBPRGKRZSA-N 0 3 312.841 2.323 20 10 DECDHN COc1ccc(N2CCN(CCCn3cccn3)CC2)cc1 ZINC001208082629 800909004 /nfs/dbraw/zinc/90/90/04/800909004.db2.gz NZSHLXREISDRGG-UHFFFAOYSA-N 0 3 300.406 2.104 20 10 DECDHN CC(C)(C)[N@@H+](Cc1c([O-])ccc2ccccc21)C[C@@H](O)CO ZINC001231587820 801690768 /nfs/dbraw/zinc/69/07/68/801690768.db2.gz ZOBDUZVHSNLZRW-CQSZACIVSA-N 0 3 303.402 2.499 20 10 DECDHN CC(C)(C)[N@H+](Cc1c([O-])ccc2ccccc21)C[C@@H](O)CO ZINC001231587820 801690771 /nfs/dbraw/zinc/69/07/71/801690771.db2.gz ZOBDUZVHSNLZRW-CQSZACIVSA-N 0 3 303.402 2.499 20 10 DECDHN COC(=O)[C@@H]1CN(Cc2ccc(N(C)C)cc2OC)CC12CC2 ZINC001231856050 801738929 /nfs/dbraw/zinc/73/89/29/801738929.db2.gz KKGFSOFNZAYFIX-HNNXBMFYSA-N 0 3 318.417 2.146 20 10 DECDHN CCN1CCO[C@@H]2C[N@H+](Cc3cccc(Cl)c3[O-])C[C@@H]2C1 ZINC001231911432 801748465 /nfs/dbraw/zinc/74/84/65/801748465.db2.gz LMZCADIHTJFUTI-DZGCQCFKSA-N 0 3 310.825 2.198 20 10 DECDHN CCN1CCO[C@@H]2C[N@@H+](Cc3cccc(Cl)c3[O-])C[C@@H]2C1 ZINC001231911432 801748468 /nfs/dbraw/zinc/74/84/68/801748468.db2.gz LMZCADIHTJFUTI-DZGCQCFKSA-N 0 3 310.825 2.198 20 10 DECDHN CC[N@H+]1C[C@H]2CN(Cc3cc(Cl)c(OC)cc3[O-])C[C@H]2C1 ZINC001232271257 801835110 /nfs/dbraw/zinc/83/51/10/801835110.db2.gz TWJWYTIYBVSOIK-BETUJISGSA-N 0 3 310.825 2.438 20 10 DECDHN CC[N@@H+]1C[C@H]2CN(Cc3cc(Cl)c(OC)cc3[O-])C[C@H]2C1 ZINC001232271257 801835116 /nfs/dbraw/zinc/83/51/16/801835116.db2.gz TWJWYTIYBVSOIK-BETUJISGSA-N 0 3 310.825 2.438 20 10 DECDHN Oc1cc(CN2CC[C@@H](N3CCCCC3)[C@@H](F)C2)cc(O)c1O ZINC001233018525 802004321 /nfs/dbraw/zinc/00/43/21/802004321.db2.gz XTKYRYCHASIXCK-UONOGXRCSA-N 0 3 324.396 2.202 20 10 DECDHN CN(Cc1cc(C#N)n(C)c1)Cc1ccc(N2CCOCC2)cc1 ZINC000191193168 802373601 /nfs/dbraw/zinc/37/36/01/802373601.db2.gz SWACHNAQDUKGTM-UHFFFAOYSA-N 0 3 324.428 2.365 20 10 DECDHN C[C@]1(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])CC[NH2+]C1 ZINC001220212656 802426545 /nfs/dbraw/zinc/42/65/45/802426545.db2.gz RHLGVPWPCJPJJN-INIZCTEOSA-N 0 3 319.792 2.210 20 10 DECDHN CN(C)c1ccc(CN2C[C@H](O)CC3(CCOCC3)C2)cc1F ZINC001331565872 1149536535 /nfs/dbraw/zinc/53/65/35/1149536535.db2.gz PVYRWCKOHFESDM-OAHLLOKOSA-N 0 3 322.424 2.255 20 10 DECDHN CCN(CC)c1ccc(CN[C@H]2CS(=O)(=O)C[C@H]2C)cc1 ZINC001461767940 1058709154 /nfs/dbraw/zinc/70/91/54/1058709154.db2.gz VOPQNXAIMGPREE-CJNGLKHVSA-N 0 3 310.463 2.056 20 10 DECDHN COc1cc(C)c(C[N@H+](C)C[C@H]2CCN(C(C)=O)C2)c([O-])c1 ZINC001461926679 1058738480 /nfs/dbraw/zinc/73/84/80/1058738480.db2.gz MADVBWGHBNDYRJ-CQSZACIVSA-N 0 3 306.406 2.009 20 10 DECDHN COc1cc(C)c(C[N@@H+](C)C[C@H]2CCN(C(C)=O)C2)c([O-])c1 ZINC001461926679 1058738493 /nfs/dbraw/zinc/73/84/93/1058738493.db2.gz MADVBWGHBNDYRJ-CQSZACIVSA-N 0 3 306.406 2.009 20 10 DECDHN CCOC(=O)C1=CC[C@@H]([NH2+]Cc2c(C)cc(OC)cc2[O-])C1 ZINC001462423434 1058821929 /nfs/dbraw/zinc/82/19/29/1058821929.db2.gz FARKVFSVNIIRDV-CYBMUJFWSA-N 0 3 305.374 2.451 20 10 DECDHN COc1ccc(CNC/C=C/CNC(=O)[C@H]2C[C@@H]2C)cc1C ZINC001497650168 1066211794 /nfs/dbraw/zinc/21/17/94/1066211794.db2.gz JTMPAMZOYXQTSQ-UXGDDLMTSA-N 0 3 302.418 2.422 20 10 DECDHN O=C1N(CC(F)F)CC[C@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001272618704 1079015575 /nfs/dbraw/zinc/01/55/75/1079015575.db2.gz NNBRDCUYUMFOMO-INIZCTEOSA-N 0 3 310.344 2.082 20 10 DECDHN O=C1N(CC(F)F)CC[C@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001272618704 1079015580 /nfs/dbraw/zinc/01/55/80/1079015580.db2.gz NNBRDCUYUMFOMO-INIZCTEOSA-N 0 3 310.344 2.082 20 10 DECDHN CN(C)c1ccc(/C=C\CN2CCC([C@@H](F)C(N)=O)CC2)cc1 ZINC001653047430 1079910335 /nfs/dbraw/zinc/91/03/35/1079910335.db2.gz FZVBDILSAISLMD-CWIOURORSA-N 0 3 319.424 2.301 20 10 DECDHN COc1cc(C)c(C[NH2+]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)c([O-])c1 ZINC001660140867 1080275523 /nfs/dbraw/zinc/27/55/23/1080275523.db2.gz UAAIPNGJXDXSSR-SOUVJXGZSA-N 0 3 322.449 2.297 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)c([O-])c1 ZINC001660316427 1080308874 /nfs/dbraw/zinc/30/88/74/1080308874.db2.gz PIBHSPWQMJIDGX-AWEZNQCLSA-N 0 3 318.417 2.154 20 10 DECDHN COc1cc(C)c(C[N@H+]2CC[C@H](CN3CCCC3=O)C2)c([O-])c1 ZINC001660316427 1080308878 /nfs/dbraw/zinc/30/88/78/1080308878.db2.gz PIBHSPWQMJIDGX-AWEZNQCLSA-N 0 3 318.417 2.154 20 10 DECDHN O=C(c1cccc(O)c1[O-])N1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001269607698 1081306474 /nfs/dbraw/zinc/30/64/74/1081306474.db2.gz GTYDUIUISYZAMS-UHFFFAOYSA-N 0 3 316.401 2.188 20 10 DECDHN O=C(c1cccc(O)c1[O-])N1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001269607698 1081306479 /nfs/dbraw/zinc/30/64/79/1081306479.db2.gz GTYDUIUISYZAMS-UHFFFAOYSA-N 0 3 316.401 2.188 20 10 DECDHN Cc1c(O)ccc(CN2CC3(CN(Cc4ccc[nH]4)C3)C2)c1O ZINC001276118051 1091555135 /nfs/dbraw/zinc/55/51/35/1091555135.db2.gz LMFVVVLMAJEYEI-UHFFFAOYSA-N 0 3 313.401 2.052 20 10 DECDHN [O-]c1ccccc1C[N@@H+]1CCCC2(CN(Cc3cn[nH]c3)C2)C1 ZINC001275266624 1091643511 /nfs/dbraw/zinc/64/35/11/1091643511.db2.gz BQZMRZBOWSZDLM-UHFFFAOYSA-N 0 3 312.417 2.213 20 10 DECDHN [O-]c1ccccc1C[N@H+]1CCCC2(CN(Cc3cn[nH]c3)C2)C1 ZINC001275266624 1091643517 /nfs/dbraw/zinc/64/35/17/1091643517.db2.gz BQZMRZBOWSZDLM-UHFFFAOYSA-N 0 3 312.417 2.213 20 10 DECDHN Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N3CCCCO3)C2)c([O-])c1 ZINC001277566456 1138330430 /nfs/dbraw/zinc/33/04/30/1138330430.db2.gz INQXIKLHEKUWPJ-CRAIPNDOSA-N 0 3 316.401 2.077 20 10 DECDHN Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C(=O)N3CCCCO3)C2)c([O-])c1 ZINC001277566456 1138330432 /nfs/dbraw/zinc/33/04/32/1138330432.db2.gz INQXIKLHEKUWPJ-CRAIPNDOSA-N 0 3 316.401 2.077 20 10 DECDHN COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001236812029 1138436586 /nfs/dbraw/zinc/43/65/86/1138436586.db2.gz YFCCNNOOVVVYOD-DGCLKSJQSA-N 0 3 307.390 2.340 20 10 DECDHN COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001236812029 1138436594 /nfs/dbraw/zinc/43/65/94/1138436594.db2.gz YFCCNNOOVVVYOD-DGCLKSJQSA-N 0 3 307.390 2.340 20 10 DECDHN COc1cc(C)c(CN2CCC[C@@H](NC(=O)C(C)C)C2)c(O)c1 ZINC001236815669 1138438295 /nfs/dbraw/zinc/43/82/95/1138438295.db2.gz MLMYYFTVEUEIDB-CQSZACIVSA-N 0 3 320.433 2.446 20 10 DECDHN COC(=O)[C@@H]1CCC[N@H+](Cc2c(C)cc(OC)cc2[O-])CC1 ZINC001236815415 1138438650 /nfs/dbraw/zinc/43/86/50/1138438650.db2.gz LIRKNQWJBFITJH-CYBMUJFWSA-N 0 3 307.390 2.484 20 10 DECDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2c(C)cc(OC)cc2[O-])CC1 ZINC001236815415 1138438655 /nfs/dbraw/zinc/43/86/55/1138438655.db2.gz LIRKNQWJBFITJH-CYBMUJFWSA-N 0 3 307.390 2.484 20 10 DECDHN C[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2F)CCCO1 ZINC001236932589 1138460442 /nfs/dbraw/zinc/46/04/42/1138460442.db2.gz SEGVCNFESFMPKF-HNNXBMFYSA-N 0 3 321.440 2.188 20 10 DECDHN COC(=O)CC[N@H+](C)Cc1cc(Br)c(C)cc1[O-] ZINC001237686715 1138759078 /nfs/dbraw/zinc/75/90/78/1138759078.db2.gz XDCWINMXLNVLLO-UHFFFAOYSA-N 0 3 316.195 2.458 20 10 DECDHN COC(=O)CC[N@@H+](C)Cc1cc(Br)c(C)cc1[O-] ZINC001237686715 1138759092 /nfs/dbraw/zinc/75/90/92/1138759092.db2.gz XDCWINMXLNVLLO-UHFFFAOYSA-N 0 3 316.195 2.458 20 10 DECDHN Cc1cc(F)cc(CN2CC[C@H](Oc3ncccn3)C2)c1O ZINC001238067281 1138819673 /nfs/dbraw/zinc/81/96/73/1138819673.db2.gz RHABDEQTASGNKB-AWEZNQCLSA-N 0 3 303.337 2.283 20 10 DECDHN COc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC001252734275 1142812824 /nfs/dbraw/zinc/81/28/24/1142812824.db2.gz VMDKASZTHIPMNI-KBPBESRZSA-N 0 3 317.385 2.491 20 10 DECDHN CCN(C)c1ccc(CN2CCCC[C@@H]2CNC(=O)NC)cc1 ZINC001308003117 1147441903 /nfs/dbraw/zinc/44/19/03/1147441903.db2.gz RGQFMUCFJGNOKF-QGZVFWFLSA-N 0 3 318.465 2.426 20 10 DECDHN CCCNC(=O)C1CC[NH+](Cc2c(C)cc(OC)cc2[O-])CC1 ZINC001308632184 1147481723 /nfs/dbraw/zinc/48/17/23/1147481723.db2.gz FDUSNBIIDKNLBU-UHFFFAOYSA-N 0 3 320.433 2.447 20 10 DECDHN COCCNC(=O)C1(N[C@H]2C[C@H](C)c3c2c(O)ccc3C)CC1 ZINC001325575159 1147953736 /nfs/dbraw/zinc/95/37/36/1147953736.db2.gz VZPUNGKAGIDGED-STQMWFEESA-N 0 3 318.417 2.134 20 10 DECDHN C[C@@H]1CC[C@H](NCc2ccc(N3CCCC3)cc2)CS1(=O)=O ZINC001327211170 1148349007 /nfs/dbraw/zinc/34/90/07/1148349007.db2.gz XEGZQRHIXMZNCL-ZBFHGGJFSA-N 0 3 322.474 2.342 20 10 DECDHN CC1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000066862532 354736373 /nfs/dbraw/zinc/73/63/73/354736373.db2.gz CFVWEGCYYQMLOT-UHFFFAOYSA-N 0 3 303.450 2.443 20 10 DECDHN CN(Cc1ccc(N2CCCCC2)cc1)CC(C)(CO)CO ZINC000093502543 355683798 /nfs/dbraw/zinc/68/37/98/355683798.db2.gz YQJKZOMNCXIEFE-UHFFFAOYSA-N 0 3 306.450 2.100 20 10 DECDHN COc1cccc(CN2CCCC[C@H]2C(=O)N2CCCC2)c1O ZINC000371420423 533476111 /nfs/dbraw/zinc/47/61/11/533476111.db2.gz XDKXSEDJLNBEFP-HNNXBMFYSA-N 0 3 318.417 2.378 20 10 DECDHN Cc1ccc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c([O-])c1O ZINC000272765161 130061482 /nfs/dbraw/zinc/06/14/82/130061482.db2.gz RCGZHSRUGMIUKG-CQSZACIVSA-N 0 3 318.417 2.210 20 10 DECDHN CCN1CC[C@H](C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])C1 ZINC000273303907 130104976 /nfs/dbraw/zinc/10/49/76/130104976.db2.gz CGPJAMAWEINYSQ-CHWSQXEVSA-N 0 3 306.406 2.171 20 10 DECDHN C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1cc2c(cc1[O-])CCCC2 ZINC000273404495 130117160 /nfs/dbraw/zinc/11/71/60/130117160.db2.gz ODUYCVSGDVXNOE-CHWSQXEVSA-N 0 3 323.458 2.356 20 10 DECDHN C[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1cc2c(cc1[O-])CCCC2 ZINC000273550465 130134824 /nfs/dbraw/zinc/13/48/24/130134824.db2.gz FVURMRDBVTUVGF-XIKOKIGWSA-N 0 3 315.417 2.389 20 10 DECDHN COC[C@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000275337365 130305927 /nfs/dbraw/zinc/30/59/27/130305927.db2.gz OAOJIJFDIGJHBU-GXSJLCMTSA-N 0 3 318.211 2.121 20 10 DECDHN COc1ccc([O-])c(C[NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)c1 ZINC000275671920 130359823 /nfs/dbraw/zinc/35/98/23/130359823.db2.gz VPDWLKMMVQBZMM-DOTOQJQBSA-N 0 3 317.389 2.144 20 10 DECDHN Cc1cc(C(=O)N[C@@H](C)CN(C)C)c(C)n1-c1ccccn1 ZINC000287227227 131269875 /nfs/dbraw/zinc/26/98/75/131269875.db2.gz PCMNQCDIZMVXSL-LBPRGKRZSA-N 0 3 300.406 2.169 20 10 DECDHN COc1ccc(O)c(CN2CCCN(CC(F)F)CC2)c1 ZINC000290514966 131494517 /nfs/dbraw/zinc/49/45/17/131494517.db2.gz PUKTTYQZLCTERS-UHFFFAOYSA-N 0 3 300.349 2.174 20 10 DECDHN CN(C)[C@H](CNC(=O)NCc1ccccc1O)c1ccccc1 ZINC000299469790 132107107 /nfs/dbraw/zinc/10/71/07/132107107.db2.gz CPLMVKTXBFEIKI-MRXNPFEDSA-N 0 3 313.401 2.494 20 10 DECDHN CCN1CCC[C@@H]1CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000078400360 401849970 /nfs/dbraw/zinc/84/99/70/401849970.db2.gz VXTCAWCMPIEIQF-MRXNPFEDSA-N 0 3 304.438 2.036 20 10 DECDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CCN(C)CC2)c([O-])c1 ZINC000185344322 402345454 /nfs/dbraw/zinc/34/54/54/402345454.db2.gz JMIOIRSELWLWBP-JKSUJKDBSA-N 0 3 305.466 2.235 20 10 DECDHN COc1ccc(O)c([C@@H](C)N[C@H]2CC(=O)N(C(C)(C)C)C2)c1 ZINC000186086096 402399754 /nfs/dbraw/zinc/39/97/54/402399754.db2.gz QKSBBOCPJXRIHC-NEPJUHHUSA-N 0 3 306.406 2.451 20 10 DECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)c1 ZINC000186086096 402399757 /nfs/dbraw/zinc/39/97/57/402399757.db2.gz QKSBBOCPJXRIHC-NEPJUHHUSA-N 0 3 306.406 2.451 20 10 DECDHN CCOc1ccc([O-])c(C[NH2+][C@]2(CO)C[C@H](OCC)C2(C)C)c1 ZINC000186591764 402445727 /nfs/dbraw/zinc/44/57/27/402445727.db2.gz XFLAVIBHYHCHKP-WMZOPIPTSA-N 0 3 323.433 2.447 20 10 DECDHN Cc1cc(Br)cc(CN2CCC[C@@H]2CO)c1O ZINC000271718561 402883085 /nfs/dbraw/zinc/88/30/85/402883085.db2.gz JHRSAXVJNXVUPK-GFCCVEGCSA-N 0 3 300.196 2.420 20 10 DECDHN COc1c([O-])c(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000278948907 402889467 /nfs/dbraw/zinc/88/94/67/402889467.db2.gz YZLBMJUNQBVQPO-OLZOCXBDSA-N 0 3 321.377 2.025 20 10 DECDHN COc1c([O-])c(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000278948907 402889469 /nfs/dbraw/zinc/88/94/69/402889469.db2.gz YZLBMJUNQBVQPO-OLZOCXBDSA-N 0 3 321.377 2.025 20 10 DECDHN COc1ccc(O)c(CN2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1 ZINC000280619458 403019735 /nfs/dbraw/zinc/01/97/35/403019735.db2.gz ZPGIVZFHGKTBGP-AHIWAGSCSA-N 0 3 307.390 2.169 20 10 DECDHN CCOc1ccc([O-])c(C[N@@H+]2C[C@@H](C)[C@](C)(C(=O)OC)C2)c1 ZINC000282771870 403159492 /nfs/dbraw/zinc/15/94/92/403159492.db2.gz PPWAWULDEWFERW-SJKOYZFVSA-N 0 3 307.390 2.422 20 10 DECDHN CCOc1ccc([O-])c(C[N@H+]2C[C@@H](C)[C@](C)(C(=O)OC)C2)c1 ZINC000282771870 403159493 /nfs/dbraw/zinc/15/94/93/403159493.db2.gz PPWAWULDEWFERW-SJKOYZFVSA-N 0 3 307.390 2.422 20 10 DECDHN Cc1ccc([O-])c(C[NH2+][C@H](CO)C[C@H](O)c2ccccc2)c1 ZINC000269911213 403175276 /nfs/dbraw/zinc/17/52/76/403175276.db2.gz IHHBXTXYVRZLEQ-WMZOPIPTSA-N 0 3 301.386 2.275 20 10 DECDHN CCC[C@@H](C)C(=O)NCC[NH2+]Cc1cccc(OCC)c1[O-] ZINC000292665643 403373981 /nfs/dbraw/zinc/37/39/81/403373981.db2.gz LZELUSFSKGTZIT-CYBMUJFWSA-N 0 3 308.422 2.433 20 10 DECDHN COCCOC1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CCOCC1 ZINC000295861431 404017179 /nfs/dbraw/zinc/01/71/79/404017179.db2.gz BMRIRMRSSJRUGH-OAHLLOKOSA-N 0 3 321.417 2.181 20 10 DECDHN Cc1cc(O)c(CN[C@@H]2CCCc3c2cnn3CCO)cc1C ZINC000363263809 404135170 /nfs/dbraw/zinc/13/51/70/404135170.db2.gz BVEVFCDUWDEWJX-MRXNPFEDSA-N 0 3 315.417 2.365 20 10 DECDHN Cc1cc([O-])c(C[NH2+][C@@H]2CCCc3c2cnn3CCO)cc1C ZINC000363263809 404135178 /nfs/dbraw/zinc/13/51/78/404135178.db2.gz BVEVFCDUWDEWJX-MRXNPFEDSA-N 0 3 315.417 2.365 20 10 DECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCN2CCC(O)CC2)c1[O-] ZINC000834901908 649858825 /nfs/dbraw/zinc/85/88/25/649858825.db2.gz BEPMGHHOUXYDBA-LBPRGKRZSA-N 0 3 312.841 2.461 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@H](C)[C@H](CO)SC)c1[O-] ZINC000230934746 533952897 /nfs/dbraw/zinc/95/28/97/533952897.db2.gz PNEKJTXXUKUFMD-PELKAZGASA-N 0 3 305.827 2.256 20 10 DECDHN COc1ccc(N2CCCN(Cc3cnn(C)c3)CC2)cc1 ZINC000195097040 534003278 /nfs/dbraw/zinc/00/32/78/534003278.db2.gz BXWHTQBGAZQTIT-UHFFFAOYSA-N 0 3 300.406 2.141 20 10 DECDHN CN(C)c1ccc(CN[C@H]2COc3ccccc3[C@H]2O)cc1F ZINC000288471941 517914557 /nfs/dbraw/zinc/91/45/57/517914557.db2.gz FUVVCYLADFEAJI-MAUKXSAKSA-N 0 3 316.376 2.476 20 10 DECDHN COc1cc([O-])c(C[N@H+](C[C@@H]2CCOC2)C2CC2)cc1OC ZINC000159830725 522775569 /nfs/dbraw/zinc/77/55/69/522775569.db2.gz GFIOMXZLAUUMQS-LBPRGKRZSA-N 0 3 307.390 2.410 20 10 DECDHN COc1cc([O-])c(C[N@@H+](C[C@@H]2CCOC2)C2CC2)cc1OC ZINC000159830725 522775576 /nfs/dbraw/zinc/77/55/76/522775576.db2.gz GFIOMXZLAUUMQS-LBPRGKRZSA-N 0 3 307.390 2.410 20 10 DECDHN COc1cc([O-])c(C[NH2+]C[C@@H](c2ccco2)N(C)C)cc1OC ZINC000181616425 522782505 /nfs/dbraw/zinc/78/25/05/522782505.db2.gz LQOJRQYTWHWVBZ-ZDUSSCGKSA-N 0 3 320.389 2.395 20 10 DECDHN CSC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000188057630 525646129 /nfs/dbraw/zinc/64/61/29/525646129.db2.gz GWLPLXDOMXSFAS-GJZGRUSLSA-N 0 3 311.447 2.097 20 10 DECDHN CSC[C@@H](O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000188057630 525646135 /nfs/dbraw/zinc/64/61/35/525646135.db2.gz GWLPLXDOMXSFAS-GJZGRUSLSA-N 0 3 311.447 2.097 20 10 DECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000180066432 526349734 /nfs/dbraw/zinc/34/97/34/526349734.db2.gz FDZZGDNHOHNVAH-CQSZACIVSA-N 0 3 308.397 2.076 20 10 DECDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000180066432 526349740 /nfs/dbraw/zinc/34/97/40/526349740.db2.gz FDZZGDNHOHNVAH-CQSZACIVSA-N 0 3 308.397 2.076 20 10 DECDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C(=O)NCCc1ccccc1 ZINC000835072604 649875274 /nfs/dbraw/zinc/87/52/74/649875274.db2.gz HXUGWNYBHGBXDB-CYBMUJFWSA-N 0 3 316.376 2.368 20 10 DECDHN C[N@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)Cc1ccccc1O ZINC000821610958 606971811 /nfs/dbraw/zinc/97/18/11/606971811.db2.gz LNOYDQPAEUGGFY-UHFFFAOYSA-N 0 3 313.336 2.343 20 10 DECDHN C[N@@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)Cc1ccccc1O ZINC000821610958 606971813 /nfs/dbraw/zinc/97/18/13/606971813.db2.gz LNOYDQPAEUGGFY-UHFFFAOYSA-N 0 3 313.336 2.343 20 10 DECDHN CC(C)(O)CN1CCN(Cc2cc3c(cc2O)CCCC3)CC1 ZINC000160244750 622752550 /nfs/dbraw/zinc/75/25/50/622752550.db2.gz PWWJGLTYCPQWGS-UHFFFAOYSA-N 0 3 318.461 2.160 20 10 DECDHN CC(C)[C@H](F)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246778 623790524 /nfs/dbraw/zinc/79/05/24/623790524.db2.gz DJDKIKGQEXBPJC-CVEARBPZSA-N 0 3 309.429 2.466 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)Cc2ccoc2)N(C)C)cc1 ZINC000891248812 623794798 /nfs/dbraw/zinc/79/47/98/623794798.db2.gz OFIJXJKYCLCZEJ-QGZVFWFLSA-N 0 3 315.417 2.307 20 10 DECDHN CC[C@@H](C)OCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251059 623797317 /nfs/dbraw/zinc/79/73/17/623797317.db2.gz CRFINMNLSKFUIV-RHSMWYFYSA-N 0 3 321.465 2.287 20 10 DECDHN COc1ccc(N2CCCN(c3ccncc3CO)CC2)cc1 ZINC000891933088 624669242 /nfs/dbraw/zinc/66/92/42/624669242.db2.gz ANUYDRIJSKCJDJ-UHFFFAOYSA-N 0 3 313.401 2.299 20 10 DECDHN Cc1cc(N(C)C)ccc1CNC(=O)NCCN1CCCCC1 ZINC000734651855 633411265 /nfs/dbraw/zinc/41/12/65/633411265.db2.gz CRGRRCYIVHHPPI-UHFFFAOYSA-N 0 3 318.465 2.346 20 10 DECDHN CCCN(CCO)Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000893892667 636061740 /nfs/dbraw/zinc/06/17/40/636061740.db2.gz BDBFTWPICQUDLB-UHFFFAOYSA-N 0 3 322.380 2.308 20 10 DECDHN COc1cc(Br)cc(C[NH2+][C@H]2COC[C@@H]2C)c1[O-] ZINC000922641424 636296662 /nfs/dbraw/zinc/29/66/62/636296662.db2.gz LJCVPZQLHWDMAJ-KWQFWETISA-N 0 3 316.195 2.288 20 10 DECDHN CN(C)c1ccc(CNC(=O)CN2CCC(C)(C)CC2)cc1 ZINC000726970334 637473763 /nfs/dbraw/zinc/47/37/63/637473763.db2.gz PCPOUMHYCIIVGG-UHFFFAOYSA-N 0 3 303.450 2.491 20 10 DECDHN Cc1cccc(CN2CCc3nc[nH]c3C23CCOCC3)c1O ZINC000895071969 637489972 /nfs/dbraw/zinc/48/99/72/637489972.db2.gz ZMTYKROZBDPVAQ-UHFFFAOYSA-N 0 3 313.401 2.488 20 10 DECDHN C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000741140384 637942845 /nfs/dbraw/zinc/94/28/45/637942845.db2.gz QDBSDIGOPNXNCV-STQMWFEESA-N 0 3 307.413 2.381 20 10 DECDHN Cc1cc(N(C)C)ccc1CN1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000840938686 650390105 /nfs/dbraw/zinc/39/01/05/650390105.db2.gz FGTRFMFSRWKBTG-MRXNPFEDSA-N 0 3 316.449 2.097 20 10 DECDHN COc1cccc(CN2CC[C@@](CO)(C(F)(F)F)C2)c1O ZINC000895845812 638220693 /nfs/dbraw/zinc/22/06/93/638220693.db2.gz PBCZTKDNKLZWMK-CYBMUJFWSA-N 0 3 305.296 2.148 20 10 DECDHN COC[C@@]1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCCN1 ZINC000841067206 650421010 /nfs/dbraw/zinc/42/10/10/650421010.db2.gz KORXYBVWKICYBK-AWEZNQCLSA-N 0 3 302.777 2.043 20 10 DECDHN C[C@H](CN1CCOCC1)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756413098 639660119 /nfs/dbraw/zinc/66/01/19/639660119.db2.gz BQKPJHXICIQWHI-OUCADQQQSA-N 0 3 308.397 2.390 20 10 DECDHN C[C@H](CCS(C)(=O)=O)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756659209 639683199 /nfs/dbraw/zinc/68/31/99/639683199.db2.gz PMGIUZZVYACBAE-CKYFFXLPSA-N 0 3 315.410 2.492 20 10 DECDHN COc1cc(Cl)cc(CNCC(=O)NCc2ccco2)c1O ZINC000761197975 640284155 /nfs/dbraw/zinc/28/41/55/640284155.db2.gz JJJWHGDPGGFIJC-UHFFFAOYSA-N 0 3 324.764 2.053 20 10 DECDHN C[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc2ccccc2c1[O-] ZINC000762788759 640459577 /nfs/dbraw/zinc/45/95/77/640459577.db2.gz QOCDXNQFCKESBM-FZKQIMNGSA-N 0 3 300.402 2.263 20 10 DECDHN Cc1cc(Br)cc(C[NH2+][C@H]2C[C@@](C)(O)C2)c1[O-] ZINC000841891677 650595628 /nfs/dbraw/zinc/59/56/28/650595628.db2.gz OMXYIASYGAOYMN-BJHJDKERSA-N 0 3 300.196 2.466 20 10 DECDHN CCN(CC)C(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000765335201 640767862 /nfs/dbraw/zinc/76/78/62/640767862.db2.gz STJXAUMTSOWNTP-HNNXBMFYSA-N 0 3 319.449 2.042 20 10 DECDHN Cc1cc(Br)cc(CN2C[C@@H](C)[C@H](O)C2)c1O ZINC000897679984 640900562 /nfs/dbraw/zinc/90/05/62/640900562.db2.gz DOFYAVZJRIXLTP-BXKDBHETSA-N 0 3 300.196 2.276 20 10 DECDHN Cc1cc(Br)cc(C[N@H+]2C[C@@H](C)[C@H](O)C2)c1[O-] ZINC000897679984 640900564 /nfs/dbraw/zinc/90/05/64/640900564.db2.gz DOFYAVZJRIXLTP-BXKDBHETSA-N 0 3 300.196 2.276 20 10 DECDHN Cc1cc(Br)cc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)c1[O-] ZINC000897679984 640900567 /nfs/dbraw/zinc/90/05/67/640900567.db2.gz DOFYAVZJRIXLTP-BXKDBHETSA-N 0 3 300.196 2.276 20 10 DECDHN CC(C)COC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768442137 641082349 /nfs/dbraw/zinc/08/23/49/641082349.db2.gz JIVBPHMZHWPUOM-KRWDZBQOSA-N 0 3 321.417 2.455 20 10 DECDHN C[N@H+](CCC1CCOCC1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768463702 641084964 /nfs/dbraw/zinc/08/49/64/641084964.db2.gz LLNWMVIJHDDXLF-INIZCTEOSA-N 0 3 307.390 2.067 20 10 DECDHN C[N@@H+](CCC1CCOCC1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768463702 641084971 /nfs/dbraw/zinc/08/49/71/641084971.db2.gz LLNWMVIJHDDXLF-INIZCTEOSA-N 0 3 307.390 2.067 20 10 DECDHN C[N@@H+]1CCC[C@H](N2CCN(Cc3c([O-])cccc3Cl)CC2)C1 ZINC000769381513 641229907 /nfs/dbraw/zinc/22/99/07/641229907.db2.gz PDZVUMQHJJHJTR-AWEZNQCLSA-N 0 3 323.868 2.257 20 10 DECDHN C[N@H+]1CCC[C@H](N2CCN(Cc3c([O-])cccc3Cl)CC2)C1 ZINC000769381513 641229915 /nfs/dbraw/zinc/22/99/15/641229915.db2.gz PDZVUMQHJJHJTR-AWEZNQCLSA-N 0 3 323.868 2.257 20 10 DECDHN COC(=O)C[C@@]1(NCc2ccc(N(C)C)c(F)c2)CCCOC1 ZINC000770675398 641406806 /nfs/dbraw/zinc/40/68/06/641406806.db2.gz FDPODIZWWCXNFX-KRWDZBQOSA-N 0 3 324.396 2.094 20 10 DECDHN CCn1ccnc1CNC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898452490 641666721 /nfs/dbraw/zinc/66/67/21/641666721.db2.gz YSSARQCIKLTWBX-KRWDZBQOSA-N 0 3 315.465 2.362 20 10 DECDHN CCOCCN1CCN(Cc2ccc(N(C)CC)cc2)CC1 ZINC000773758353 641821347 /nfs/dbraw/zinc/82/13/47/641821347.db2.gz UAVCCAVVNYNNQO-UHFFFAOYSA-N 0 3 305.466 2.297 20 10 DECDHN C[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899101663 641934810 /nfs/dbraw/zinc/93/48/10/641934810.db2.gz KJKMBIQSJHPEMX-PBHICJAKSA-N 0 3 318.465 2.407 20 10 DECDHN C[C@H](NCC(=O)NC(=O)NC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000775835422 642102979 /nfs/dbraw/zinc/10/29/79/642102979.db2.gz YOSOBECLPNGNQC-LBPRGKRZSA-N 0 3 320.437 2.028 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCn3ccnc3C2)c1[O-] ZINC000779194143 642471077 /nfs/dbraw/zinc/47/10/77/642471077.db2.gz WBUPJTIFCAMBHB-LBPRGKRZSA-N 0 3 307.781 2.355 20 10 DECDHN Cc1ccc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c([O-])c1O ZINC000780918563 642688923 /nfs/dbraw/zinc/68/89/23/642688923.db2.gz VTGQSQNTRHEQFT-UHFFFAOYSA-N 0 3 306.406 2.353 20 10 DECDHN Cc1ccc(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)c([O-])c1O ZINC000780918563 642688926 /nfs/dbraw/zinc/68/89/26/642688926.db2.gz VTGQSQNTRHEQFT-UHFFFAOYSA-N 0 3 306.406 2.353 20 10 DECDHN COC[C@H](C[NH2+]Cc1cc(Br)cc(C)c1[O-])OC ZINC000781529019 642762985 /nfs/dbraw/zinc/76/29/85/642762985.db2.gz ITQNZUIEGSLEBN-LBPRGKRZSA-N 0 3 318.211 2.214 20 10 DECDHN COc1cccc([O-])c1C[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000784681336 643164254 /nfs/dbraw/zinc/16/42/54/643164254.db2.gz SVLLAFHTHVILRL-HNNXBMFYSA-N 0 3 301.386 2.484 20 10 DECDHN COC(=O)[C@H]1CCN(Cc2cc(Cl)cc(OC)c2O)[C@H]1C ZINC000787422089 643493400 /nfs/dbraw/zinc/49/34/00/643493400.db2.gz ZHLHVPXCTNIAON-CABZTGNLSA-N 0 3 313.781 2.438 20 10 DECDHN COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])[C@H]1C ZINC000787422089 643493404 /nfs/dbraw/zinc/49/34/04/643493404.db2.gz ZHLHVPXCTNIAON-CABZTGNLSA-N 0 3 313.781 2.438 20 10 DECDHN COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])[C@H]1C ZINC000787422089 643493409 /nfs/dbraw/zinc/49/34/09/643493409.db2.gz ZHLHVPXCTNIAON-CABZTGNLSA-N 0 3 313.781 2.438 20 10 DECDHN CCOc1ccc(C[N@H+](C)CCN2CCOC(C)(C)C2)c([O-])c1 ZINC000789766182 643771599 /nfs/dbraw/zinc/77/15/99/643771599.db2.gz XMYWOQCRHRIKCZ-UHFFFAOYSA-N 0 3 322.449 2.334 20 10 DECDHN CCOc1ccc(C[N@@H+](C)CCN2CCOC(C)(C)C2)c([O-])c1 ZINC000789766182 643771603 /nfs/dbraw/zinc/77/16/03/643771603.db2.gz XMYWOQCRHRIKCZ-UHFFFAOYSA-N 0 3 322.449 2.334 20 10 DECDHN Oc1cc2c(cc1CN1CCO[C@@]3(CCCOC3)C1)CCC2 ZINC000795633671 644608405 /nfs/dbraw/zinc/60/84/05/644608405.db2.gz DVBSSEIOJZTIER-SFHVURJKSA-N 0 3 303.402 2.262 20 10 DECDHN CCCN(C)CC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839917505 645294743 /nfs/dbraw/zinc/29/47/43/645294743.db2.gz FCFMGEHIKCIIAD-OAHLLOKOSA-N 0 3 305.466 2.450 20 10 DECDHN COc1ccc(O)c(CNCc2c3c(nn2C)CCCC3)c1 ZINC000812773258 646692778 /nfs/dbraw/zinc/69/27/78/646692778.db2.gz BLHPQENYAVJHRL-UHFFFAOYSA-N 0 3 301.390 2.303 20 10 DECDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1-c1ccccn1 ZINC000813113474 646733181 /nfs/dbraw/zinc/73/31/81/646733181.db2.gz DQHYJJYTVLGWNB-LLVKDONJSA-N 0 3 303.318 2.311 20 10 DECDHN O=C(NCc1c([O-])cccc1F)NC1CC[NH+](CC2CC2)CC1 ZINC000914248044 647237157 /nfs/dbraw/zinc/23/71/57/647237157.db2.gz MUJJQUMCLMDTDW-UHFFFAOYSA-N 0 3 321.396 2.205 20 10 DECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCC(=O)N(C)C2=O)c1[O-] ZINC000818361678 647458307 /nfs/dbraw/zinc/45/83/07/647458307.db2.gz MNEGLNLFRBZGAJ-SKDRFNHKSA-N 0 3 310.781 2.152 20 10 DECDHN CN1CCCc2cc(CNC[C@](C)(O)C(F)(F)F)ccc21 ZINC000818985423 647557428 /nfs/dbraw/zinc/55/74/28/647557428.db2.gz TXNBAOFAHLCXBO-AWEZNQCLSA-N 0 3 302.340 2.472 20 10 DECDHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCN1C1CCCC1 ZINC000821807545 648112296 /nfs/dbraw/zinc/11/22/96/648112296.db2.gz VOUKUSSBSGSAOI-IUODEOHRSA-N 0 3 318.417 2.162 20 10 DECDHN C[C@@](CO)(NCc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000237653634 648399739 /nfs/dbraw/zinc/39/97/39/648399739.db2.gz UWNPZAZQRMTZCX-KRWDZBQOSA-N 0 3 301.342 2.118 20 10 DECDHN COc1cccc([O-])c1C[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000824501229 648598293 /nfs/dbraw/zinc/59/82/93/648598293.db2.gz GIKJRYMVHQFOCK-AWEZNQCLSA-N 0 3 305.349 2.233 20 10 DECDHN O=S1(=O)C[C@@H](C[NH2+]Cc2ccccc2[O-])c2ccccc21 ZINC000824514626 648600196 /nfs/dbraw/zinc/60/01/96/648600196.db2.gz AEWFYRPWADLKHL-CYBMUJFWSA-N 0 3 303.383 2.053 20 10 DECDHN C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])C[C@H](C)N1CCO ZINC000824926715 648673742 /nfs/dbraw/zinc/67/37/42/648673742.db2.gz QQXIDSFMMGFKMH-GASCZTMLSA-N 0 3 314.429 2.432 20 10 DECDHN C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])C[C@H](C)N1CCO ZINC000824926715 648673743 /nfs/dbraw/zinc/67/37/43/648673743.db2.gz QQXIDSFMMGFKMH-GASCZTMLSA-N 0 3 314.429 2.432 20 10 DECDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2c(C)n[nH]c2C)c1 ZINC000182339764 648879622 /nfs/dbraw/zinc/87/96/22/648879622.db2.gz XIPAKUKEKLXWFA-SECBINFHSA-N 0 3 318.377 2.030 20 10 DECDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c1[O-] ZINC000827133570 648978875 /nfs/dbraw/zinc/97/88/75/648978875.db2.gz UWCYIWOFIHTFDL-ZWNOBZJWSA-N 0 3 324.808 2.155 20 10 DECDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c1[O-] ZINC000827133570 648978876 /nfs/dbraw/zinc/97/88/76/648978876.db2.gz UWCYIWOFIHTFDL-ZWNOBZJWSA-N 0 3 324.808 2.155 20 10 DECDHN CCN(CC)c1ccc(CNC(=O)[C@@H](N)C2CCC2)cc1F ZINC000829038127 649263813 /nfs/dbraw/zinc/26/38/13/649263813.db2.gz ABJHKCPBNPZGMX-INIZCTEOSA-N 0 3 307.413 2.416 20 10 DECDHN CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000185029695 649421609 /nfs/dbraw/zinc/42/16/09/649421609.db2.gz GTJGXHSEXDJMBK-CYBMUJFWSA-N 0 3 314.451 2.023 20 10 DECDHN CC(=O)c1cc(Cl)cc(CN2C[C@H]3CC[N@@H+](C)[C@H]3C2)c1[O-] ZINC000831723149 649634179 /nfs/dbraw/zinc/63/41/79/649634179.db2.gz KLRNZVKTHFNMOA-ABAIWWIYSA-N 0 3 308.809 2.384 20 10 DECDHN CC(=O)c1cc(Cl)cc(CN2C[C@H]3CC[N@H+](C)[C@H]3C2)c1[O-] ZINC000831723149 649634181 /nfs/dbraw/zinc/63/41/81/649634181.db2.gz KLRNZVKTHFNMOA-ABAIWWIYSA-N 0 3 308.809 2.384 20 10 DECDHN COc1cc(CNCC(=O)NCC2CC2)c(O)c(C(C)(C)C)c1 ZINC000850238347 651872744 /nfs/dbraw/zinc/87/27/44/651872744.db2.gz YAYBMLQWCWPMIZ-UHFFFAOYSA-N 0 3 320.433 2.314 20 10 DECDHN CCOc1ccc(C[NH2+]CC(C)(C)[C@]2(O)CCCOC2)c([O-])c1 ZINC000850400255 651920592 /nfs/dbraw/zinc/92/05/92/651920592.db2.gz CQWCUFQSSQRFBJ-SFHVURJKSA-N 0 3 323.433 2.448 20 10 DECDHN CCS(=O)(=O)C1(CN[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000850557751 651952376 /nfs/dbraw/zinc/95/23/76/651952376.db2.gz PSENUPGWBDZMKA-ZDUSSCGKSA-N 0 3 310.463 2.371 20 10 DECDHN CO[C@@]1(C)C[C@H]1N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000850571193 651955028 /nfs/dbraw/zinc/95/50/28/651955028.db2.gz OMPGVDNMZBQHFT-JLZZUVOBSA-N 0 3 308.397 2.490 20 10 DECDHN C[C@@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1CO ZINC000857061955 652044525 /nfs/dbraw/zinc/04/45/25/652044525.db2.gz XBYDQIITYPTOSJ-ZBFHGGJFSA-N 0 3 322.424 2.113 20 10 DECDHN CN(C)c1cc(F)c(CNCC[C@]2(O)CCCOC2)cc1F ZINC000858184232 652273896 /nfs/dbraw/zinc/27/38/96/652273896.db2.gz NPZNQMTVBIYYIY-MRXNPFEDSA-N 0 3 314.376 2.052 20 10 DECDHN Cn1c2cc(CNCc3ccc4c(c3)CCO4)ccc2oc1=O ZINC000858293171 652298062 /nfs/dbraw/zinc/29/80/62/652298062.db2.gz BPMDRDOZCIJJSL-UHFFFAOYSA-N 0 3 310.353 2.356 20 10 DECDHN NC1(C(=O)NCCCSc2nccs2)CC2(CCC2)C1 ZINC000852840588 652467127 /nfs/dbraw/zinc/46/71/27/652467127.db2.gz QOHOXRDHKCJREB-UHFFFAOYSA-N 0 3 311.476 2.403 20 10 DECDHN COc1cccc([C@H](C)N[C@H]2CCN(C3CCC3)C2=O)c1O ZINC000858603252 685566952 /nfs/dbraw/zinc/56/69/52/685566952.db2.gz VGZLKCDSLLWAHG-FZMZJTMJSA-N 0 3 304.390 2.205 20 10 DECDHN C[N@@H+]1C[C@H]2CCN(Cc3c([O-])cccc3Br)[C@@H]2C1 ZINC000862372765 686284831 /nfs/dbraw/zinc/28/48/31/686284831.db2.gz AFEJPMYHKNKNGR-ZWNOBZJWSA-N 0 3 311.223 2.291 20 10 DECDHN C[N@H+]1C[C@H]2CCN(Cc3c([O-])cccc3Br)[C@@H]2C1 ZINC000862372765 686284834 /nfs/dbraw/zinc/28/48/34/686284834.db2.gz AFEJPMYHKNKNGR-ZWNOBZJWSA-N 0 3 311.223 2.291 20 10 DECDHN CC(C)N1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000874328859 689389306 /nfs/dbraw/zinc/38/93/06/689389306.db2.gz HBXMJYAGIKKVTH-UHFFFAOYSA-N 0 3 317.393 2.405 20 10 DECDHN CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1c(C)cccc1[O-])CC2 ZINC000876763863 689929636 /nfs/dbraw/zinc/92/96/36/689929636.db2.gz MFLLYRWTGZJXAR-IRXDYDNUSA-N 0 3 305.418 2.453 20 10 DECDHN COC(=O)CC[N@H+](Cc1ccc(C)cc1[O-])C1CCOCC1 ZINC000876774336 689933634 /nfs/dbraw/zinc/93/36/34/689933634.db2.gz RZMMPVNMLYBIEE-UHFFFAOYSA-N 0 3 307.390 2.245 20 10 DECDHN COC(=O)CC[N@@H+](Cc1ccc(C)cc1[O-])C1CCOCC1 ZINC000876774336 689933639 /nfs/dbraw/zinc/93/36/39/689933639.db2.gz RZMMPVNMLYBIEE-UHFFFAOYSA-N 0 3 307.390 2.245 20 10 DECDHN CN(C(=O)CC1(N2CCOCC2)CCCC1)c1ccc(N)cc1 ZINC000877077578 690014060 /nfs/dbraw/zinc/01/40/60/690014060.db2.gz NMGJZTWVNINDPN-UHFFFAOYSA-N 0 3 317.433 2.267 20 10 DECDHN CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877501291 690132825 /nfs/dbraw/zinc/13/28/25/690132825.db2.gz NYSDTDFZDOBHSP-GOSISDBHSA-N 0 3 321.417 2.492 20 10 DECDHN CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877501291 690132828 /nfs/dbraw/zinc/13/28/28/690132828.db2.gz NYSDTDFZDOBHSP-GOSISDBHSA-N 0 3 321.417 2.492 20 10 DECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000877619858 690169718 /nfs/dbraw/zinc/16/97/18/690169718.db2.gz ARRYIIPKNKXJNI-INIZCTEOSA-N 0 3 304.434 2.387 20 10 DECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000877619858 690169724 /nfs/dbraw/zinc/16/97/24/690169724.db2.gz ARRYIIPKNKXJNI-INIZCTEOSA-N 0 3 304.434 2.387 20 10 DECDHN COc1cc(Br)cc(C[NH2+]C2CSC2)c1[O-] ZINC000877635240 690174834 /nfs/dbraw/zinc/17/48/34/690174834.db2.gz KBMFUWCPONYROG-UHFFFAOYSA-N 0 3 304.209 2.368 20 10 DECDHN CC(=O)c1cc(F)cc(CN2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1[O-] ZINC000879571551 690676306 /nfs/dbraw/zinc/67/63/06/690676306.db2.gz BQXPXDKDCDNYGR-MLGOLLRUSA-N 0 3 306.381 2.260 20 10 DECDHN CC(=O)c1cc(F)cc(CN2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1[O-] ZINC000879571551 690676309 /nfs/dbraw/zinc/67/63/09/690676309.db2.gz BQXPXDKDCDNYGR-MLGOLLRUSA-N 0 3 306.381 2.260 20 10 DECDHN C[C@@H]([NH2+]CC(=O)NC(=O)NC1CCCCC1)c1ccccc1[O-] ZINC000879648559 690699149 /nfs/dbraw/zinc/69/91/49/690699149.db2.gz TYNNEUQRWQMNIF-GFCCVEGCSA-N 0 3 319.405 2.201 20 10 DECDHN Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879652247 690699396 /nfs/dbraw/zinc/69/93/96/690699396.db2.gz XYKDVKMYWJPRJR-JQWIXIFHSA-N 0 3 316.405 2.420 20 10 DECDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)NC(=O)NC(C)(C)C ZINC000879651330 690699426 /nfs/dbraw/zinc/69/94/26/690699426.db2.gz RJSXGOQLYIHWBY-QWRGUYRKSA-N 0 3 307.394 2.056 20 10 DECDHN C[C@H]([NH2+]CC(=O)NCCOc1ccccc1)c1ccccc1[O-] ZINC000879653711 690699833 /nfs/dbraw/zinc/69/98/33/690699833.db2.gz UDFDTCBSGLFUQE-AWEZNQCLSA-N 0 3 314.385 2.238 20 10 DECDHN Cc1cc(CN2CCC[C@H]3CCNC(=O)[C@@H]32)ccc1N(C)C ZINC000880524028 690917649 /nfs/dbraw/zinc/91/76/49/690917649.db2.gz OIRQFFCHCOGQOF-DOTOQJQBSA-N 0 3 301.434 2.162 20 10 DECDHN CC[NH+](CC)CC[C@H](CO)NCc1c([O-])cccc1Cl ZINC000883161593 691444729 /nfs/dbraw/zinc/44/47/29/691444729.db2.gz VYXAUMXDURKSJD-GFCCVEGCSA-N 0 3 300.830 2.228 20 10 DECDHN CC(C)[C@@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)N1CCN(C)CC1 ZINC000886500213 692094579 /nfs/dbraw/zinc/09/45/79/692094579.db2.gz LHMVSWZOSYMLMN-GOEBONIOSA-N 0 3 323.456 2.454 20 10 DECDHN CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2c([O-])cccc2F)CC1 ZINC000886504237 692095869 /nfs/dbraw/zinc/09/58/69/692095869.db2.gz XQMFAXGVQITEDZ-UONOGXRCSA-N 0 3 309.429 2.208 20 10 DECDHN CN(C)c1ccc(CN2CC[C@@](CO)(C(F)(F)F)C2)cc1 ZINC000886810809 692196451 /nfs/dbraw/zinc/19/64/51/692196451.db2.gz DVAQWFFSKRTRRT-CQSZACIVSA-N 0 3 302.340 2.499 20 10 DECDHN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000925322759 693256148 /nfs/dbraw/zinc/25/61/48/693256148.db2.gz BNYDRIGXNFVEQR-HIFRSBDPSA-N 0 3 305.422 2.406 20 10 DECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC001353593209 1151840789 /nfs/dbraw/zinc/84/07/89/1151840789.db2.gz LHENAQLFYBZPFW-LJQANCHMSA-N 0 3 310.397 2.330 20 10 DECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC001353593209 1151840791 /nfs/dbraw/zinc/84/07/91/1151840791.db2.gz LHENAQLFYBZPFW-LJQANCHMSA-N 0 3 310.397 2.330 20 10 DECDHN CN(C)Cc1cccc(NC(=O)NCc2ccc(O)c(O)c2)c1 ZINC000176500074 782476148 /nfs/dbraw/zinc/47/61/48/782476148.db2.gz PCWOIXADNPPKJF-UHFFFAOYSA-N 0 3 315.373 2.481 20 10 DECDHN CCOC(=O)[C@@H]1CC[C@H]([N@H+](CC)Cc2ccccc2[O-])CO1 ZINC001169411377 785183541 /nfs/dbraw/zinc/18/35/41/785183541.db2.gz SFQVMOHTXIMRPM-HOCLYGCPSA-N 0 3 307.390 2.325 20 10 DECDHN CCOC(=O)[C@@H]1CC[C@H]([N@@H+](CC)Cc2ccccc2[O-])CO1 ZINC001169411377 785183542 /nfs/dbraw/zinc/18/35/42/785183542.db2.gz SFQVMOHTXIMRPM-HOCLYGCPSA-N 0 3 307.390 2.325 20 10 DECDHN COc1cccc2c1C[C@H](NCc1ccc(O)c(O)c1)CO2 ZINC001173158028 793611253 /nfs/dbraw/zinc/61/12/53/793611253.db2.gz ZTNJUKQGHSPXOX-LBPRGKRZSA-N 0 3 301.342 2.200 20 10 DECDHN c1ncn(-c2ccccc2CNCc2ccc3c(c2)CCO3)n1 ZINC001177586918 794704427 /nfs/dbraw/zinc/70/44/27/794704427.db2.gz OCEBOGXQXNKIEC-UHFFFAOYSA-N 0 3 306.369 2.492 20 10 DECDHN COC(=O)N1CCCN(Cc2ccc(N(C)C)cc2C)CC1 ZINC001117945245 795128751 /nfs/dbraw/zinc/12/87/51/795128751.db2.gz QNQITWASIVTYEK-UHFFFAOYSA-N 0 3 305.422 2.335 20 10 DECDHN CC(C)CC(=O)N1CCCN(Cc2ccc(O)cc2O)CC1 ZINC001204280708 795369653 /nfs/dbraw/zinc/36/96/53/795369653.db2.gz NHVRNGUMGRBTKG-UHFFFAOYSA-N 0 3 306.406 2.178 20 10 DECDHN CN(C)c1ccncc1NC(=O)CCc1ccc(O)c(O)c1 ZINC001182153948 795614407 /nfs/dbraw/zinc/61/44/07/795614407.db2.gz RALDVZLQDHDIPF-UHFFFAOYSA-N 0 3 301.346 2.130 20 10 DECDHN Cc1c(CN2CCN([C@@H]3CCOC3)CC2)c2ccccc2n1C ZINC001138252866 796188297 /nfs/dbraw/zinc/18/82/97/796188297.db2.gz XCBGQKVCPPESDE-MRXNPFEDSA-N 0 3 313.445 2.393 20 10 DECDHN CN(C)C(=O)[C@@H]1CCCN1Cc1ccc2c(c1)CCCN2C ZINC001138356952 796204307 /nfs/dbraw/zinc/20/43/07/796204307.db2.gz VWNFIFXVEQTSSI-KRWDZBQOSA-N 0 3 301.434 2.122 20 10 DECDHN Cc1cc(CN2CCC(=O)N3CCC[C@H]3C2)ccc1N(C)C ZINC001139674080 796408813 /nfs/dbraw/zinc/40/88/13/796408813.db2.gz MWTSABRHPDGQJU-INIZCTEOSA-N 0 3 301.434 2.258 20 10 DECDHN C[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2F)CC[C@H]1O ZINC001140660210 796552595 /nfs/dbraw/zinc/55/25/95/796552595.db2.gz JOGRVFNTHVFADQ-KBXCAEBGSA-N 0 3 322.424 2.255 20 10 DECDHN Fc1cc(N2CCOCC2)ccc1CN1CC[C@H]2COC[C@@H]2C1 ZINC001140664727 796553205 /nfs/dbraw/zinc/55/32/05/796553205.db2.gz QHNXTORZULUNRA-HOTGVXAUSA-N 0 3 320.408 2.131 20 10 DECDHN Cc1c(O)ccc(CN2CCCN(C(=O)C3CCC3)CC2)c1O ZINC001140745862 796566683 /nfs/dbraw/zinc/56/66/83/796566683.db2.gz OGYHFHBLUPNRDX-UHFFFAOYSA-N 0 3 318.417 2.241 20 10 DECDHN COC[C@@H]1Cn2nccc2CN(Cc2ccc(C)cc2O)C1 ZINC001140950155 796606397 /nfs/dbraw/zinc/60/63/97/796606397.db2.gz PBFQLXXMFTWJQJ-AWEZNQCLSA-N 0 3 301.390 2.176 20 10 DECDHN COc1cc([O-])c(C[NH+]2CCC(n3ccnc3)CC2)c(OC)c1 ZINC001141029358 796621373 /nfs/dbraw/zinc/62/13/73/796621373.db2.gz QVKACXITYRPCBG-UHFFFAOYSA-N 0 3 317.389 2.443 20 10 DECDHN Cc1cc(O[C@@H]2CCCN(Cc3cc(O)ccc3O)C2)ncn1 ZINC001141163126 796644234 /nfs/dbraw/zinc/64/42/34/796644234.db2.gz QFHRADJPVFPPLO-OAHLLOKOSA-N 0 3 315.373 2.240 20 10 DECDHN CCN(C)c1ccc(CN[C@H]2CCO[C@H]2c2nc(C)no2)cc1 ZINC001196657001 798088544 /nfs/dbraw/zinc/08/85/44/798088544.db2.gz FZBVTUFHVNGQHC-JKSUJKDBSA-N 0 3 316.405 2.454 20 10 DECDHN CN(C)c1ccc(CN2CCC3(CCCNC3=O)CC2)cc1 ZINC001203934664 798481531 /nfs/dbraw/zinc/48/15/31/798481531.db2.gz YYAMJUQATNQFET-UHFFFAOYSA-N 0 3 301.434 2.245 20 10 DECDHN CCOC[C@H]1CN(Cc2ccccc2O)Cc2cnn(C)c21 ZINC001203552534 800079447 /nfs/dbraw/zinc/07/94/47/800079447.db2.gz NHTBQKSTOBYFHK-OAHLLOKOSA-N 0 3 301.390 2.262 20 10 DECDHN O=C(NC1CC[NH+](Cc2ccccc2[O-])CC1)c1cccnc1 ZINC001203560851 800080564 /nfs/dbraw/zinc/08/05/64/800080564.db2.gz IBMPJMXHBRBFIH-UHFFFAOYSA-N 0 3 311.385 2.182 20 10 DECDHN O=C(N[C@@H]1CCCN(Cc2ccccc2O)C1)c1cccnc1 ZINC001203561371 800081058 /nfs/dbraw/zinc/08/10/58/800081058.db2.gz SXKIHGAGGRUDDU-MRXNPFEDSA-N 0 3 311.385 2.182 20 10 DECDHN Oc1ccc(CN2CCCN(Cc3ccncc3)CC2)cc1O ZINC001203875776 800138826 /nfs/dbraw/zinc/13/88/26/800138826.db2.gz USTXOFJBGHXNII-UHFFFAOYSA-N 0 3 313.401 2.201 20 10 DECDHN CC[C@@H]1[N@H+](Cc2ccc(O)cc2[O-])CCC[C@]12CCC(=O)N2 ZINC001204273748 800198349 /nfs/dbraw/zinc/19/83/49/800198349.db2.gz GZBVGCRARJEYEH-RDJZCZTQSA-N 0 3 304.390 2.121 20 10 DECDHN CC[C@@H]1[N@@H+](Cc2ccc(O)cc2[O-])CCC[C@]12CCC(=O)N2 ZINC001204273748 800198352 /nfs/dbraw/zinc/19/83/52/800198352.db2.gz GZBVGCRARJEYEH-RDJZCZTQSA-N 0 3 304.390 2.121 20 10 DECDHN CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204272613 800198575 /nfs/dbraw/zinc/19/85/75/800198575.db2.gz RJRRUPOVUBNEQX-CQSZACIVSA-N 0 3 306.406 2.178 20 10 DECDHN CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204272613 800198578 /nfs/dbraw/zinc/19/85/78/800198578.db2.gz RJRRUPOVUBNEQX-CQSZACIVSA-N 0 3 306.406 2.178 20 10 DECDHN Oc1ccc(CN2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)c(O)c1 ZINC001204276298 800198967 /nfs/dbraw/zinc/19/89/67/800198967.db2.gz JTESVTIPKNDOJO-OLZOCXBDSA-N 0 3 323.286 2.325 20 10 DECDHN COC(=O)[C@]1(C)CCC[N@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001206322019 800509277 /nfs/dbraw/zinc/50/92/77/800509277.db2.gz ZUCLLZJQZDGPIT-QGZVFWFLSA-N 0 3 307.390 2.484 20 10 DECDHN COC(=O)[C@]1(C)CCC[N@@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001206322019 800509280 /nfs/dbraw/zinc/50/92/80/800509280.db2.gz ZUCLLZJQZDGPIT-QGZVFWFLSA-N 0 3 307.390 2.484 20 10 DECDHN COc1cccc(N2CCN(Cc3cccc(C)c3O)CC2)n1 ZINC001231594067 801692277 /nfs/dbraw/zinc/69/22/77/801692277.db2.gz SLAFSHJXDCWDRE-UHFFFAOYSA-N 0 3 313.401 2.426 20 10 DECDHN COc1cc(CN2CC[C@H](Oc3ccncc3)C2)c(O)cc1O ZINC001231637581 801701679 /nfs/dbraw/zinc/70/16/79/801701679.db2.gz NIHMKYTVTSYQGO-AWEZNQCLSA-N 0 3 316.357 2.155 20 10 DECDHN OC[C@@H]1CCCN1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232195792 801814807 /nfs/dbraw/zinc/81/48/07/801814807.db2.gz YZUYIIAPJGZHPB-AWEZNQCLSA-N 0 3 310.825 2.133 20 10 DECDHN CN(C)c1ccc(CN2CC(N3CCC(F)CC3)C2)c(O)c1 ZINC001232840103 801969026 /nfs/dbraw/zinc/96/90/26/801969026.db2.gz MZHFBWZHIPIIGW-UHFFFAOYSA-N 0 3 307.413 2.076 20 10 DECDHN C[NH2+][C@H]1C[C@@H](Oc2cccc3c2C(=O)c2cccc([O-])c2C3=O)C1 ZINC001217957335 802123932 /nfs/dbraw/zinc/12/39/32/802123932.db2.gz GKUPIKUGSUNAKM-PHIMTYICSA-N 0 3 323.348 2.297 20 10 DECDHN Cc1cc(O[C@H]2C[NH2+][C@@H]2C)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001218384281 802175374 /nfs/dbraw/zinc/17/53/74/802175374.db2.gz IXAUGCAYYNPXLO-BMIGLBTASA-N 0 3 323.348 2.215 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](F)[C@H](O)C3)c2c1 ZINC001234525857 802403491 /nfs/dbraw/zinc/40/34/91/802403491.db2.gz LSWVQBLWLAMMQK-DOTOQJQBSA-N 0 3 305.349 2.459 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](F)[C@H](O)C3)c2c1 ZINC001234525857 802403492 /nfs/dbraw/zinc/40/34/92/802403492.db2.gz LSWVQBLWLAMMQK-DOTOQJQBSA-N 0 3 305.349 2.459 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](F)[C@@H](O)C3)c2c1 ZINC001234525859 802403518 /nfs/dbraw/zinc/40/35/18/802403518.db2.gz LSWVQBLWLAMMQK-RDJZCZTQSA-N 0 3 305.349 2.459 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](F)[C@@H](O)C3)c2c1 ZINC001234525859 802403523 /nfs/dbraw/zinc/40/35/23/802403523.db2.gz LSWVQBLWLAMMQK-RDJZCZTQSA-N 0 3 305.349 2.459 20 10 DECDHN Cc1cc(CN2CCC3(CCNC3=O)CC2)ccc1N(C)C ZINC001331173936 1149391478 /nfs/dbraw/zinc/39/14/78/1149391478.db2.gz VFXTVTDOXBDGHT-UHFFFAOYSA-N 0 3 301.434 2.163 20 10 DECDHN C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1cc(C(=O)[O-])ccc1[O-] ZINC001593285622 994637797 /nfs/dbraw/zinc/63/77/97/994637797.db2.gz HGTBAMOUHQBBTP-UXEPBGEESA-N 0 3 304.390 2.273 20 10 DECDHN Nc1ccc(CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC001524009878 1069792233 /nfs/dbraw/zinc/79/22/33/1069792233.db2.gz WQBZEOSWVQQDOJ-KRWDZBQOSA-N 0 3 324.428 2.192 20 10 DECDHN CCO/C=C\C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001603555404 1069986420 /nfs/dbraw/zinc/98/64/20/1069986420.db2.gz PWDBKKZUDZOOAY-JNSOCZORSA-N 0 3 305.422 2.022 20 10 DECDHN [NH3+]C[C@@H](NCc1ccc(Br)cc1[O-])C(F)(F)F ZINC001580229880 1067531686 /nfs/dbraw/zinc/53/16/86/1067531686.db2.gz VGWMCCCIBNGUGN-SECBINFHSA-N 0 3 313.117 2.134 20 10 DECDHN CC[C@@H](C)N1CC[C@]2(CCCN2Cc2cc(O)ccc2O)C1=O ZINC001272385549 1078844956 /nfs/dbraw/zinc/84/49/56/1078844956.db2.gz BYGIDYNHOGTFDN-FZKQIMNGSA-N 0 3 318.417 2.463 20 10 DECDHN CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cccc(O)c1[O-] ZINC001542839177 1072466877 /nfs/dbraw/zinc/46/68/77/1072466877.db2.gz OTKKWNQVAJZQNE-UHFFFAOYSA-N 0 3 306.406 2.434 20 10 DECDHN CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cccc(O)c1[O-] ZINC001542839177 1072466885 /nfs/dbraw/zinc/46/68/85/1072466885.db2.gz OTKKWNQVAJZQNE-UHFFFAOYSA-N 0 3 306.406 2.434 20 10 DECDHN CCN(CC)c1ccc(CNCc2ccc(C(N)=O)nc2)cc1 ZINC001620855148 1076484459 /nfs/dbraw/zinc/48/44/59/1076484459.db2.gz MEMUNIZZOZLUFV-UHFFFAOYSA-N 0 3 312.417 2.317 20 10 DECDHN C[C@@H]([NH2+]CC(=O)NC(=O)Nc1ccccc1)c1ccccc1[O-] ZINC001655349116 1079994609 /nfs/dbraw/zinc/99/46/09/1079994609.db2.gz DGEOLIBLVAWPJT-GFCCVEGCSA-N 0 3 313.357 2.391 20 10 DECDHN C[C@@H]1C[C@H]1N1C[C@H](NCc2ccc3c(c2)CCCO3)CC1=O ZINC001657314638 1080169847 /nfs/dbraw/zinc/16/98/47/1080169847.db2.gz YBZPDSBRBVFTCK-DAXOMENPSA-N 0 3 300.402 2.111 20 10 DECDHN Cc1cc(Br)cc(CN2CC[C@H](O)[C@@H]2C)c1O ZINC001658116943 1080196304 /nfs/dbraw/zinc/19/63/04/1080196304.db2.gz KPLVGEXOUOPAAL-CABZTGNLSA-N 0 3 300.196 2.418 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c([O-])c1 ZINC001658912020 1080220977 /nfs/dbraw/zinc/22/09/77/1080220977.db2.gz YUGQFMVATFZSEE-GDBMZVCRSA-N 0 3 309.431 2.416 20 10 DECDHN COc1cc(C)c(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c([O-])c1 ZINC001658912020 1080220979 /nfs/dbraw/zinc/22/09/79/1080220979.db2.gz YUGQFMVATFZSEE-GDBMZVCRSA-N 0 3 309.431 2.416 20 10 DECDHN COc1cc(C)c(C[NH+]2CCC(O[C@H]3CCOC3)CC2)c([O-])c1 ZINC001659427755 1080240180 /nfs/dbraw/zinc/24/01/80/1080240180.db2.gz SPPWRYBVEYGYJC-HNNXBMFYSA-N 0 3 321.417 2.479 20 10 DECDHN OC[C@@H]1CN(Cc2ccccc2O)CCN1Cc1ccccc1 ZINC001203547304 1083999943 /nfs/dbraw/zinc/99/99/43/1083999943.db2.gz NSBKEVNULMOHLE-SFHVURJKSA-N 0 3 312.413 2.071 20 10 DECDHN Cc1ccc(CN2CC3(C[C@H]3C(=O)NC(C)(C)C)C2)c(O)c1 ZINC001277567394 1084039903 /nfs/dbraw/zinc/03/99/03/1084039903.db2.gz GJQFFJXOEDJJFU-AWEZNQCLSA-N 0 3 302.418 2.437 20 10 DECDHN CCN1CCN(c2ccc(OC3CN(C(C)C)C3)cc2)CC1 ZINC001234658253 1084190370 /nfs/dbraw/zinc/19/03/70/1084190370.db2.gz YRULTXSCEVTOKB-UHFFFAOYSA-N 0 3 303.450 2.300 20 10 DECDHN Cc1cc([O-])c(CN2CCC[C@H]3[NH2+]C[C@H]32)cc1Br ZINC001235303259 1084380052 /nfs/dbraw/zinc/38/00/52/1084380052.db2.gz KLPLICQRGIMRPQ-CHWSQXEVSA-N 0 3 311.223 2.399 20 10 DECDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@@](C)(CO)C2)c([O-])c1 ZINC001235674956 1084495875 /nfs/dbraw/zinc/49/58/75/1084495875.db2.gz JSXXCRFUMJKKLK-SJLPKXTDSA-N 0 3 307.434 2.255 20 10 DECDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@@H](O)[C@@](C)(CO)C2)c([O-])c1 ZINC001235674956 1084495880 /nfs/dbraw/zinc/49/58/80/1084495880.db2.gz JSXXCRFUMJKKLK-SJLPKXTDSA-N 0 3 307.434 2.255 20 10 DECDHN COc1cc(C)c(C[N@H+](C)[C@@H]2CCC3(C2)OCCO3)c([O-])c1 ZINC001236815452 1138438570 /nfs/dbraw/zinc/43/85/70/1138438570.db2.gz LUBBQDQSEVWILE-CYBMUJFWSA-N 0 3 307.390 2.437 20 10 DECDHN COc1cc(C)c(C[N@@H+](C)[C@@H]2CCC3(C2)OCCO3)c([O-])c1 ZINC001236815452 1138438573 /nfs/dbraw/zinc/43/85/73/1138438573.db2.gz LUBBQDQSEVWILE-CYBMUJFWSA-N 0 3 307.390 2.437 20 10 DECDHN C[C@]1(O)CCN(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236921384 1138456898 /nfs/dbraw/zinc/45/68/98/1138456898.db2.gz FFMSMNYAQWGFIU-INIZCTEOSA-N 0 3 310.825 2.133 20 10 DECDHN CCOc1ccc(CN2CCN(CCC(C)(C)O)CC2)c(O)c1 ZINC001237047097 1138487416 /nfs/dbraw/zinc/48/74/16/1138487416.db2.gz RFIGLXMAWYJLOP-UHFFFAOYSA-N 0 3 322.449 2.070 20 10 DECDHN Cc1cc(F)cc(CN2C[C@H](CO)[C@@H](C(F)(F)F)C2)c1O ZINC001238064025 1138819518 /nfs/dbraw/zinc/81/95/18/1138819518.db2.gz NSIGCYZDQJZPNQ-PWSUYJOCSA-N 0 3 307.287 2.442 20 10 DECDHN O=S(=O)(NC1CNC1)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238182399 1138832840 /nfs/dbraw/zinc/83/28/40/1138832840.db2.gz OLVBHDYBWZLCLF-ISLYRVAYSA-N 0 3 316.386 2.352 20 10 DECDHN COC[C@H]1CCCC[N@@H+]1Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249177865 1141857143 /nfs/dbraw/zinc/85/71/43/1141857143.db2.gz KRDAFABOSGTVJT-OAHLLOKOSA-N 0 3 307.390 2.109 20 10 DECDHN COC[C@H]1CCCC[N@H+]1Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249177865 1141857149 /nfs/dbraw/zinc/85/71/49/1141857149.db2.gz KRDAFABOSGTVJT-OAHLLOKOSA-N 0 3 307.390 2.109 20 10 DECDHN [O-]c1ccccc1C[NH2+]C[C@H](O)CCOCc1ccccc1 ZINC001253291913 1142861535 /nfs/dbraw/zinc/86/15/35/1142861535.db2.gz OHAIEOWYELEGPQ-QGZVFWFLSA-N 0 3 301.386 2.450 20 10 DECDHN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccc(N2CCCC2)cc1 ZINC001338769016 1142877038 /nfs/dbraw/zinc/87/70/38/1142877038.db2.gz HMBNDMDXWNOPHG-JQHSSLGASA-N 0 3 313.445 2.373 20 10 DECDHN CCOc1ccc(N2CCN(C(=O)CN(CC)CC)CC2)cc1 ZINC001256600128 1143856734 /nfs/dbraw/zinc/85/67/34/1143856734.db2.gz WSKYRZJAZMJVQG-UHFFFAOYSA-N 0 3 319.449 2.076 20 10 DECDHN CCN(CC)c1ccc(CN(C)C[C@@H]2CN(C)C(=O)O2)cc1 ZINC001326239533 1148062411 /nfs/dbraw/zinc/06/24/11/1148062411.db2.gz IWLMLPBVQIOMCZ-MRXNPFEDSA-N 0 3 305.422 2.415 20 10 DECDHN Cc1cc(O)c(CN(CCO)CCOCC(F)(F)F)cc1C ZINC000093319975 193231482 /nfs/dbraw/zinc/23/14/82/193231482.db2.gz MHSNAARZPJJVQE-UHFFFAOYSA-N 0 3 321.339 2.382 20 10 DECDHN Cc1cc([O-])c(C[N@H+](CCO)CCOCC(F)(F)F)cc1C ZINC000093319975 193231484 /nfs/dbraw/zinc/23/14/84/193231484.db2.gz MHSNAARZPJJVQE-UHFFFAOYSA-N 0 3 321.339 2.382 20 10 DECDHN Cc1cc([O-])c(C[N@@H+](CCO)CCOCC(F)(F)F)cc1C ZINC000093319975 193231486 /nfs/dbraw/zinc/23/14/86/193231486.db2.gz MHSNAARZPJJVQE-UHFFFAOYSA-N 0 3 321.339 2.382 20 10 DECDHN CCN(C)CCNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000105329102 194097658 /nfs/dbraw/zinc/09/76/58/194097658.db2.gz ZZXZXBMJKJAMSL-UHFFFAOYSA-N 0 3 300.406 2.171 20 10 DECDHN COc1cccc(CNCc2c[nH]nc2-c2cccnc2)c1O ZINC000377654540 533513532 /nfs/dbraw/zinc/51/35/32/533513532.db2.gz JMSJJOCSDOUNMQ-UHFFFAOYSA-N 0 3 310.357 2.476 20 10 DECDHN C[C@@H](N[C@H](CO)c1cnn(C)c1)c1cc2c(cc1O)CCCC2 ZINC000273452786 130123921 /nfs/dbraw/zinc/12/39/21/130123921.db2.gz GHTFBEIRNKDRCS-SJKOYZFVSA-N 0 3 315.417 2.389 20 10 DECDHN COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cccc(OC)c2[O-])[C@H]1C ZINC000289377926 131380613 /nfs/dbraw/zinc/38/06/13/131380613.db2.gz CALSCTQBRTZYGY-OBJOEFQTSA-N 0 3 307.390 2.468 20 10 DECDHN COC(=O)CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000117340597 401875221 /nfs/dbraw/zinc/87/52/21/401875221.db2.gz MIDNRVBSQRACJT-OAHLLOKOSA-N 0 3 307.390 2.326 20 10 DECDHN COC(=O)CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000117340597 401875223 /nfs/dbraw/zinc/87/52/23/401875223.db2.gz MIDNRVBSQRACJT-OAHLLOKOSA-N 0 3 307.390 2.326 20 10 DECDHN CCN(CCC[NH2+][C@@H](C)c1cc(C)ccc1[O-])S(C)(=O)=O ZINC000038035533 401921217 /nfs/dbraw/zinc/92/12/17/401921217.db2.gz VLABITOSWHARGJ-ZDUSSCGKSA-N 0 3 314.451 2.023 20 10 DECDHN CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cc(C)ccc1[O-])CC2 ZINC000093614179 402017321 /nfs/dbraw/zinc/01/73/21/402017321.db2.gz XNVYBQKWQBSTBW-IAGOWNOFSA-N 0 3 305.418 2.453 20 10 DECDHN CC(C)(C)CNC(=O)C(C)(C)NCc1cc2c(cc1O)OCO2 ZINC000121314259 402027495 /nfs/dbraw/zinc/02/74/95/402027495.db2.gz HYZHAFIWSOSBME-UHFFFAOYSA-N 0 3 322.405 2.151 20 10 DECDHN CCOc1ccc(O)c(CN2CCCN(C(=O)CC)CC2)c1 ZINC000092187183 402002714 /nfs/dbraw/zinc/00/27/14/402002714.db2.gz ZSYVYXDIUADLMH-UHFFFAOYSA-N 0 3 306.406 2.235 20 10 DECDHN CCCOc1ccc(CN2CCN(C[C@H](O)CC)CC2)c(O)c1 ZINC000123578475 402135629 /nfs/dbraw/zinc/13/56/29/402135629.db2.gz YCMPXIJXWZHLJK-MRXNPFEDSA-N 0 3 322.449 2.070 20 10 DECDHN CCN(CCNC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000102068270 402162467 /nfs/dbraw/zinc/16/24/67/402162467.db2.gz HKEDURZBKMRSAL-UHFFFAOYSA-N 0 3 318.465 2.378 20 10 DECDHN CCN(CC)c1ccc(CN[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000069142594 402214062 /nfs/dbraw/zinc/21/40/62/402214062.db2.gz QYBQUCGCPVHVKK-OAHLLOKOSA-N 0 3 310.463 2.200 20 10 DECDHN CN(C)c1ccc(CN2CCC[C@H]2CN2CCOCC2)cc1F ZINC000125638938 402243475 /nfs/dbraw/zinc/24/34/75/402243475.db2.gz TWADSSDHFVARIA-INIZCTEOSA-N 0 3 321.440 2.188 20 10 DECDHN C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])CN1CCN(C)CC1 ZINC000185343857 402345187 /nfs/dbraw/zinc/34/51/87/402345187.db2.gz YJCKBEWUQORPNW-ZIAGYGMSSA-N 0 3 309.429 2.065 20 10 DECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)[C@@H](C)N2CCOCC2)c1 ZINC000185375951 402348012 /nfs/dbraw/zinc/34/80/12/402348012.db2.gz WZSJOYQJPVCBEL-MGPQQGTHSA-N 0 3 308.422 2.161 20 10 DECDHN C[C@H](C(=O)NCCc1ccc(O)c(O)c1)N1[C@H](C)CC[C@H]1C ZINC000245689041 402479891 /nfs/dbraw/zinc/47/98/91/402479891.db2.gz LIVHKYIIQBXOFA-JHJVBQTASA-N 0 3 306.406 2.018 20 10 DECDHN CCOC(=O)N[C@@H]1CCCN(Cc2cc(OC)ccc2O)C1 ZINC000179692003 402598302 /nfs/dbraw/zinc/59/83/02/402598302.db2.gz BJEPEDMFHZSBSX-CYBMUJFWSA-N 0 3 308.378 2.111 20 10 DECDHN COc1cc([O-])c(C[N@H+](C)CCc2ccncc2)cc1OC ZINC000183754549 402794813 /nfs/dbraw/zinc/79/48/13/402794813.db2.gz WJKHQQNXFYPVAM-UHFFFAOYSA-N 0 3 302.374 2.479 20 10 DECDHN COc1cc([O-])c(C[N@@H+](C)CCc2ccncc2)cc1OC ZINC000183754549 402794816 /nfs/dbraw/zinc/79/48/16/402794816.db2.gz WJKHQQNXFYPVAM-UHFFFAOYSA-N 0 3 302.374 2.479 20 10 DECDHN C[C@@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1ccccc1[O-] ZINC000278183059 402861848 /nfs/dbraw/zinc/86/18/48/402861848.db2.gz BPFBOIPOEQPBFY-ZIAGYGMSSA-N 0 3 300.406 2.445 20 10 DECDHN OCC[C@@]1(NCc2ccc(N3CCCCC3)cc2)CCOC1 ZINC000278541186 402868145 /nfs/dbraw/zinc/86/81/45/402868145.db2.gz XLHJAIWYMJXAKK-GOSISDBHSA-N 0 3 304.434 2.308 20 10 DECDHN COC[C@H](CO)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000279679095 402960557 /nfs/dbraw/zinc/96/05/57/402960557.db2.gz ITUYSGGNDJRKKU-INIZCTEOSA-N 0 3 317.385 2.068 20 10 DECDHN C[C@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1cc(F)ccc1[O-] ZINC000280939932 403052357 /nfs/dbraw/zinc/05/23/57/403052357.db2.gz ISPMBBQPJVUVPR-JTQLQIEISA-N 0 3 301.383 2.149 20 10 DECDHN O=C1N[C@H]2CC[N@@H+](Cc3c([O-])ccc4ccccc43)C[C@@H]2CO1 ZINC000281160313 403059653 /nfs/dbraw/zinc/05/96/53/403059653.db2.gz GBABCFJCDYSTBX-CJNGLKHVSA-N 0 3 312.369 2.476 20 10 DECDHN O=C1N[C@H]2CC[N@H+](Cc3c([O-])ccc4ccccc43)C[C@@H]2CO1 ZINC000281160313 403059655 /nfs/dbraw/zinc/05/96/55/403059655.db2.gz GBABCFJCDYSTBX-CJNGLKHVSA-N 0 3 312.369 2.476 20 10 DECDHN C[C@@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)C(=O)NCCF ZINC000282904270 403163325 /nfs/dbraw/zinc/16/33/25/403163325.db2.gz WXEHREDCBFZCEQ-NWDGAFQWSA-N 0 3 308.397 2.396 20 10 DECDHN COc1ccc([O-])c(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c1 ZINC000282989297 403164627 /nfs/dbraw/zinc/16/46/27/403164627.db2.gz JWESEYCFBQSZIL-DYVFJYSZSA-N 0 3 321.417 2.058 20 10 DECDHN CCCCN(CC(=O)NCCOCC)Cc1ccccc1O ZINC000282545889 403156008 /nfs/dbraw/zinc/15/60/08/403156008.db2.gz WLYNSJVMMPKNBP-UHFFFAOYSA-N 0 3 308.422 2.147 20 10 DECDHN CN(C)c1ccc(CN2CCC[C@@H](C3OCCO3)C2)cc1F ZINC000271146300 403269047 /nfs/dbraw/zinc/26/90/47/403269047.db2.gz IDWDFZIRQLNZBB-CQSZACIVSA-N 0 3 308.397 2.477 20 10 DECDHN C[C@@H]1C[C@H](N2CCOCC2)CN1Cc1ccc(N(C)C)c(F)c1 ZINC000289655927 403991666 /nfs/dbraw/zinc/99/16/66/403991666.db2.gz MZTKCENHBJVDSI-ZBFHGGJFSA-N 0 3 321.440 2.187 20 10 DECDHN CCOc1cccc(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c1[O-] ZINC000290521670 404203865 /nfs/dbraw/zinc/20/38/65/404203865.db2.gz QAQFTNODWJVSCE-OAHLLOKOSA-N 0 3 318.417 2.235 20 10 DECDHN CCOc1cccc(C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c1[O-] ZINC000290521670 404203870 /nfs/dbraw/zinc/20/38/70/404203870.db2.gz QAQFTNODWJVSCE-OAHLLOKOSA-N 0 3 318.417 2.235 20 10 DECDHN CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000296433180 404245246 /nfs/dbraw/zinc/24/52/46/404245246.db2.gz LZFRADXQRYXSOR-OCCSQVGLSA-N 0 3 314.451 2.069 20 10 DECDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000378418184 227213757 /nfs/dbraw/zinc/21/37/57/227213757.db2.gz COKIULPRUVMTGB-WMLDXEAASA-N 0 3 307.390 2.219 20 10 DECDHN COc1ccc(O)c(CN2CCC[C@H](c3noc(C)n3)C2)c1 ZINC000375840895 534200194 /nfs/dbraw/zinc/20/01/94/534200194.db2.gz MMITYEOANUOZIU-LBPRGKRZSA-N 0 3 303.362 2.472 20 10 DECDHN CCC1(CO)CC[NH+](Cc2cc(OC)c(OC)cc2[O-])CC1 ZINC000180383172 519844609 /nfs/dbraw/zinc/84/46/09/519844609.db2.gz ITVLPDKUXGIXKL-UHFFFAOYSA-N 0 3 309.406 2.394 20 10 DECDHN CCC1(CO)CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000180383172 519844612 /nfs/dbraw/zinc/84/46/12/519844612.db2.gz ITVLPDKUXGIXKL-UHFFFAOYSA-N 0 3 309.406 2.394 20 10 DECDHN CCOc1cccc(CN2CC[C@@H](C(=O)OC)[C@H](C)C2)c1O ZINC000188114975 521341069 /nfs/dbraw/zinc/34/10/69/521341069.db2.gz KLYLBMWLQVHCPI-TZMCWYRMSA-N 0 3 307.390 2.422 20 10 DECDHN CCOc1cccc(C[NH2+]CCCCCS(C)(=O)=O)c1[O-] ZINC000185217029 521362013 /nfs/dbraw/zinc/36/20/13/521362013.db2.gz RJRDSBCBSNKXMU-UHFFFAOYSA-N 0 3 315.435 2.095 20 10 DECDHN CN(CCOCC(F)F)Cc1ccc(N2CCOCC2)cc1 ZINC000188638715 522887626 /nfs/dbraw/zinc/88/76/26/522887626.db2.gz XWQLHZMFNZEQPI-UHFFFAOYSA-N 0 3 314.376 2.237 20 10 DECDHN COc1ccc([O-])c(C[NH+]2CCC(CC(=O)N(C)C)CC2)c1 ZINC000180330157 524739926 /nfs/dbraw/zinc/73/99/26/524739926.db2.gz OZBGCCUHXYDWRL-UHFFFAOYSA-N 0 3 306.406 2.091 20 10 DECDHN COc1ccc(O)c(CN2CCC(CC(=O)N(C)C)CC2)c1 ZINC000180330157 524739931 /nfs/dbraw/zinc/73/99/31/524739931.db2.gz OZBGCCUHXYDWRL-UHFFFAOYSA-N 0 3 306.406 2.091 20 10 DECDHN COc1ccc([O-])c(C[NH2+][C@H](CO)Cc2cccc(C)c2)c1 ZINC000191684128 524755816 /nfs/dbraw/zinc/75/58/16/524755816.db2.gz CWYCFOKPXJRLIO-INIZCTEOSA-N 0 3 301.386 2.402 20 10 DECDHN Cc1ccc([O-])c(C[NH+]2CCC(N3CCCNC3=O)CC2)c1 ZINC000093669476 525339742 /nfs/dbraw/zinc/33/97/42/525339742.db2.gz CHDGNRSTDZAVGP-UHFFFAOYSA-N 0 3 303.406 2.080 20 10 DECDHN C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(F)cc1[O-] ZINC000184983140 525401389 /nfs/dbraw/zinc/40/13/89/525401389.db2.gz SWNOIDPQQJXQLO-CYBMUJFWSA-N 0 3 309.429 2.208 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@H](C)CC[S@@](C)=O)c1[O-] ZINC000169091676 625345788 /nfs/dbraw/zinc/34/57/88/625345788.db2.gz DYXREEIKHZXJQN-HOGDKLEQSA-N 0 3 305.827 2.301 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CC23CC3)N(C)C)cc1 ZINC000891246266 623790033 /nfs/dbraw/zinc/79/00/33/623790033.db2.gz BPUXQDBEYCOKPD-HOTGVXAUSA-N 0 3 301.434 2.272 20 10 DECDHN COC1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCC1 ZINC000891247889 623791500 /nfs/dbraw/zinc/79/15/00/623791500.db2.gz IPFFYCYGYGFKIW-INIZCTEOSA-N 0 3 319.449 2.041 20 10 DECDHN CC[C@@](C)(OC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248774 623794519 /nfs/dbraw/zinc/79/45/19/623794519.db2.gz NVGYMOOFHBYYSB-SJLPKXTDSA-N 0 3 321.465 2.287 20 10 DECDHN CS[C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251294 623797761 /nfs/dbraw/zinc/79/77/61/623797761.db2.gz BPZLMCUEXRWBPP-IUODEOHRSA-N 0 3 309.479 2.223 20 10 DECDHN Cc1ccc(C(=O)NCCN(C)Cc2ccccc2)c(O)c1O ZINC000177675660 625055857 /nfs/dbraw/zinc/05/58/57/625055857.db2.gz LXBNCCUIWOONST-UHFFFAOYSA-N 0 3 314.385 2.268 20 10 DECDHN CCN(CC)c1ccc(CNC2CC(S(C)(=O)=O)C2)cc1 ZINC000892614603 625196399 /nfs/dbraw/zinc/19/63/99/625196399.db2.gz KZAKVIKTPLJZFO-UHFFFAOYSA-N 0 3 310.463 2.198 20 10 DECDHN C[C@@H]1[C@H](C)NCCN1C(=O)NCCCSc1nccs1 ZINC000841856403 636923654 /nfs/dbraw/zinc/92/36/54/636923654.db2.gz JETHIAZYXNSTCN-WDEREUQCSA-N 0 3 314.480 2.017 20 10 DECDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@H]1COCO1 ZINC000894876415 637282510 /nfs/dbraw/zinc/28/25/10/637282510.db2.gz RFEQSHKKNHGUIN-KRWDZBQOSA-N 0 3 315.369 2.434 20 10 DECDHN C[C@@H]1CC[C@H](C)CN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839499781 637897056 /nfs/dbraw/zinc/89/70/56/637897056.db2.gz TXXACQNOCGOMIQ-LSDHHAIUSA-N 0 3 303.450 2.489 20 10 DECDHN Cc1cc(N(C)C)ccc1CN1CCC[C@H]1C(=O)NC1CC1 ZINC000840909372 650376741 /nfs/dbraw/zinc/37/67/41/650376741.db2.gz AMKOEIYKXARQMJ-KRWDZBQOSA-N 0 3 301.434 2.304 20 10 DECDHN Cc1cc(N(C)C)ccc1CN1CCOC2(CCOCC2)C1 ZINC000840920657 650383645 /nfs/dbraw/zinc/38/36/45/650383645.db2.gz XVCYUWLAJFTDKC-UHFFFAOYSA-N 0 3 304.434 2.442 20 10 DECDHN COc1cc(C)cc(CN[C@@H]2Cc3ccccc3NC2=O)c1O ZINC000895402013 638001630 /nfs/dbraw/zinc/00/16/30/638001630.db2.gz HYFVXTFFTOQTCB-OAHLLOKOSA-N 0 3 312.369 2.362 20 10 DECDHN Cc1cc(N(C)C)ccc1CN[C@H]1C[C@H]2CCCCN2C1=O ZINC000840953332 650394296 /nfs/dbraw/zinc/39/42/96/650394296.db2.gz QCZLKOMKADUFER-SJORKVTESA-N 0 3 301.434 2.304 20 10 DECDHN Cc1cc(N(C)C)ccc1CN[C@H]1CC(=O)N(CC2CC2)C1 ZINC000895716926 638160703 /nfs/dbraw/zinc/16/07/03/638160703.db2.gz NEKCSWAIFVVZQY-INIZCTEOSA-N 0 3 301.434 2.162 20 10 DECDHN C[C@]1([C@@H]2CCC[N@H+](Cc3cc(F)ccc3[O-])C2)COC(=O)N1 ZINC000896394545 638500526 /nfs/dbraw/zinc/50/05/26/638500526.db2.gz FKTARYKJSGSKOJ-MLGOLLRUSA-N 0 3 308.353 2.242 20 10 DECDHN C[C@]1([C@@H]2CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)COC(=O)N1 ZINC000896394545 638500529 /nfs/dbraw/zinc/50/05/29/638500529.db2.gz FKTARYKJSGSKOJ-MLGOLLRUSA-N 0 3 308.353 2.242 20 10 DECDHN Cc1ccc(CN[C@H]2CON(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000896999353 639120951 /nfs/dbraw/zinc/12/09/51/639120951.db2.gz VZLCJPSJZZNRPU-CYBMUJFWSA-N 0 3 308.378 2.341 20 10 DECDHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)c2c1c(F)ccc2[O-] ZINC000756368985 639654784 /nfs/dbraw/zinc/65/47/84/639654784.db2.gz AIFLQPKETQWAHD-SCVCMEIPSA-N 0 3 313.394 2.104 20 10 DECDHN C[C@@H](C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)S(C)(=O)=O ZINC000756768957 639692985 /nfs/dbraw/zinc/69/29/85/639692985.db2.gz BQFXEAQLXVWFTK-YWVKMMECSA-N 0 3 301.383 2.102 20 10 DECDHN C[C@@H]1C[C@H](N[C@H](CO)c2cnn(C)c2)c2c1c(F)ccc2O ZINC000756775003 639693687 /nfs/dbraw/zinc/69/36/87/639693687.db2.gz GHRCTEGWCSTKDT-JIMOISOXSA-N 0 3 305.353 2.136 20 10 DECDHN C[C@@H]1C[C@H]([NH2+][C@H](CO)C2CCOCC2)c2c1c(F)ccc2[O-] ZINC000757658664 639866423 /nfs/dbraw/zinc/86/64/23/639866423.db2.gz JARLNNYPXDRLBA-DDTOSNHZSA-N 0 3 309.381 2.457 20 10 DECDHN CCN(CC)c1ccc(CNC(=O)N2CCN[C@@H](C)[C@H]2C)cc1 ZINC000841717980 650550530 /nfs/dbraw/zinc/55/05/30/650550530.db2.gz OYDJGVDDQABYEE-LSDHHAIUSA-N 0 3 318.465 2.425 20 10 DECDHN COc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2CC(N)=O)c1[O-] ZINC000761195824 640284326 /nfs/dbraw/zinc/28/43/26/640284326.db2.gz PHMSSSSIDCMXKW-LBPRGKRZSA-N 0 3 312.797 2.284 20 10 DECDHN COc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2CC(N)=O)c1[O-] ZINC000761195824 640284330 /nfs/dbraw/zinc/28/43/30/640284330.db2.gz PHMSSSSIDCMXKW-LBPRGKRZSA-N 0 3 312.797 2.284 20 10 DECDHN COc1cc(CN2CCCN(C(=O)C(C)C)CC2)c(O)cc1C ZINC000768445328 641082549 /nfs/dbraw/zinc/08/25/49/641082549.db2.gz GDYFWNUZZDAVRM-UHFFFAOYSA-N 0 3 320.433 2.400 20 10 DECDHN COc1ccc(N2CCCN(Cc3cnc(N)s3)CC2)cc1 ZINC000768998565 641154035 /nfs/dbraw/zinc/15/40/35/641154035.db2.gz PKDBIGUOSVMINJ-UHFFFAOYSA-N 0 3 318.446 2.446 20 10 DECDHN CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1c([O-])cccc1OC)CC2 ZINC000769478486 641248113 /nfs/dbraw/zinc/24/81/13/641248113.db2.gz DUYIHJAAISZNGE-IRXDYDNUSA-N 0 3 321.417 2.153 20 10 DECDHN C[C@H]([NH2+]C[C@@H]1CCN1C1CCOCC1)c1cc(F)ccc1[O-] ZINC000927104223 641629900 /nfs/dbraw/zinc/62/99/00/641629900.db2.gz KFWRHTQTNRPPER-WFASDCNBSA-N 0 3 308.397 2.435 20 10 DECDHN C[C@@H]([NH2+]C[C@H]1CCN1C1CCOCC1)c1cc(F)ccc1[O-] ZINC000927104221 641630115 /nfs/dbraw/zinc/63/01/15/641630115.db2.gz KFWRHTQTNRPPER-IUODEOHRSA-N 0 3 308.397 2.435 20 10 DECDHN COC(=O)/C(C)=C/CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775255936 642022340 /nfs/dbraw/zinc/02/23/40/642022340.db2.gz SBDZTOXRYCKAKQ-UJMHRVFCSA-N 0 3 318.417 2.293 20 10 DECDHN CCC[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CCO1 ZINC000775709603 642082736 /nfs/dbraw/zinc/08/27/36/642082736.db2.gz VHCOEDHFXLYMQI-LJQANCHMSA-N 0 3 317.477 2.439 20 10 DECDHN CC[C@H]([NH2+][C@H]1CCOC[C@H]1OCCOC)c1ccccc1[O-] ZINC000776866668 642213973 /nfs/dbraw/zinc/21/39/73/642213973.db2.gz GKNAXSHHHUREIU-YQQAZPJKSA-N 0 3 309.406 2.253 20 10 DECDHN COc1cc(CN2CCC(O)(C(F)F)CC2)c(O)cc1C ZINC000777570533 642282596 /nfs/dbraw/zinc/28/25/96/642282596.db2.gz OPXITFQMKMEVEH-UHFFFAOYSA-N 0 3 301.333 2.301 20 10 DECDHN O=[N+]([O-])c1ccc(N2CCN(Cc3ccccc3O)CC2)cn1 ZINC000778996654 642453352 /nfs/dbraw/zinc/45/33/52/642453352.db2.gz WHHHLWMFTJOHLM-UHFFFAOYSA-N 0 3 314.345 2.018 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@H+](C)CCNC(C)=O)c2c1 ZINC000842631556 650789611 /nfs/dbraw/zinc/78/96/11/650789611.db2.gz OCMHHJHSXMQTII-UHFFFAOYSA-N 0 3 302.374 2.122 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@@H+](C)CCNC(C)=O)c2c1 ZINC000842631556 650789613 /nfs/dbraw/zinc/78/96/13/650789613.db2.gz OCMHHJHSXMQTII-UHFFFAOYSA-N 0 3 302.374 2.122 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](c3cccnc3)C1)[C@H](O)CO2 ZINC000842625039 650786145 /nfs/dbraw/zinc/78/61/45/650786145.db2.gz HSUCDLBWLVUBFT-SUMWQHHRSA-N 0 3 312.369 2.203 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](c3cccnc3)C1)[C@H](O)CO2 ZINC000842625039 650786147 /nfs/dbraw/zinc/78/61/47/650786147.db2.gz HSUCDLBWLVUBFT-SUMWQHHRSA-N 0 3 312.369 2.203 20 10 DECDHN C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)CCN1CC(C)(C)O ZINC000783722835 643042348 /nfs/dbraw/zinc/04/23/48/643042348.db2.gz IZSSOVFKQVTRHP-CQSZACIVSA-N 0 3 323.456 2.169 20 10 DECDHN Cc1cc(O)c(CN2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1C(C)C ZINC000902615706 643084627 /nfs/dbraw/zinc/08/46/27/643084627.db2.gz SDKFVXHAZMIRAB-GASCZTMLSA-N 0 3 323.458 2.300 20 10 DECDHN COc1cccc([O-])c1C[NH2+]C[C@H](O)CCc1ccccc1 ZINC000784681339 643164083 /nfs/dbraw/zinc/16/40/83/643164083.db2.gz SVLLAFHTHVILRL-OAHLLOKOSA-N 0 3 301.386 2.484 20 10 DECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCc2nnnn2C)c1[O-] ZINC000903348432 643322084 /nfs/dbraw/zinc/32/20/84/643322084.db2.gz CDPFIJGJADVDML-SNVBAGLBSA-N 0 3 309.801 2.161 20 10 DECDHN COc1cccc(O)c1CNCc1ccc(NC(C)=O)nc1 ZINC000788524753 643620727 /nfs/dbraw/zinc/62/07/27/643620727.db2.gz SXXGZPAVNPRXRU-UHFFFAOYSA-N 0 3 301.346 2.044 20 10 DECDHN COc1ccc(N2CCC(NCc3cn(C)cn3)CC2)cc1 ZINC000798227311 644987471 /nfs/dbraw/zinc/98/74/71/644987471.db2.gz CIWQXRUWIUODKV-UHFFFAOYSA-N 0 3 300.406 2.187 20 10 DECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCS(C)(=O)=O)c1[O-] ZINC000808692586 645294491 /nfs/dbraw/zinc/29/44/91/645294491.db2.gz RNELJJMKGMJDBF-SNVBAGLBSA-N 0 3 305.827 2.439 20 10 DECDHN CCN(CC)CC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839919708 645302769 /nfs/dbraw/zinc/30/27/69/645302769.db2.gz SNYDGHOCTNDHIV-HNNXBMFYSA-N 0 3 305.466 2.450 20 10 DECDHN COC(=O)c1cc(CNCc2ccc3c(c2)CCO3)n(C)c1C ZINC000812747721 646692441 /nfs/dbraw/zinc/69/24/41/646692441.db2.gz CJXBTIGESPBLHL-UHFFFAOYSA-N 0 3 314.385 2.345 20 10 DECDHN COC(=O)c1cc(C[NH2+]Cc2ccc(OC)cc2[O-])n(C)c1C ZINC000812758695 646693022 /nfs/dbraw/zinc/69/30/22/646693022.db2.gz LHEIKUXQVQIWJN-UHFFFAOYSA-N 0 3 318.373 2.124 20 10 DECDHN Cc1cc(C)c([C@H](C)[NH2+]CC2CCS(=O)(=O)CC2)c([O-])c1 ZINC000815598847 647034403 /nfs/dbraw/zinc/03/44/03/647034403.db2.gz DUIMBZFKBCTDIA-ZDUSSCGKSA-N 0 3 311.447 2.484 20 10 DECDHN [O-]c1c(C[NH2+]C[C@H]2CN3CCC[C@H]3CO2)ccc2ccccc21 ZINC000816548478 647150824 /nfs/dbraw/zinc/15/08/24/647150824.db2.gz JGEQCWVDZOVVJL-IRXDYDNUSA-N 0 3 312.413 2.498 20 10 DECDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])[C@@H]1n1cccn1 ZINC000816672093 647166917 /nfs/dbraw/zinc/16/69/17/647166917.db2.gz PKAVXMLJLOKRDF-IMJJTQAJSA-N 0 3 305.353 2.236 20 10 DECDHN COc1ccc(N2CC[C@@H](CN[C@@H]3CCn4ccnc43)C2)cc1 ZINC000818341817 647456366 /nfs/dbraw/zinc/45/63/66/647456366.db2.gz GZQDAVNZLHAMBJ-WMLDXEAASA-N 0 3 312.417 2.453 20 10 DECDHN COCC(C)(C)N1CCN(Cc2cc(OC)c(C)cc2O)CC1 ZINC000819895922 647736445 /nfs/dbraw/zinc/73/64/45/647736445.db2.gz VFOIXSOUBJGTEX-UHFFFAOYSA-N 0 3 322.449 2.252 20 10 DECDHN CCN1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC000994496201 647970428 /nfs/dbraw/zinc/97/04/28/647970428.db2.gz OVGLSVNMHDMOMF-RISCZKNCSA-N 0 3 317.393 2.452 20 10 DECDHN C[C@H]1[C@@H](NC(=O)NCCCSc2nccs2)CCN1C ZINC000921447743 648318780 /nfs/dbraw/zinc/31/87/80/648318780.db2.gz RJGRRIFVPZRPQW-QWRGUYRKSA-N 0 3 314.480 2.017 20 10 DECDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCN2CCCO)c1[O-] ZINC000824564985 648611660 /nfs/dbraw/zinc/61/16/60/648611660.db2.gz POOJCGSXHRQGLX-HNNXBMFYSA-N 0 3 312.841 2.290 20 10 DECDHN CCOc1ccc(CN2CC[C@@H](OC(=O)N(C)C)C2)c(O)c1 ZINC000824576174 648614466 /nfs/dbraw/zinc/61/44/66/648614466.db2.gz CDZQSFWAQTTWDJ-CQSZACIVSA-N 0 3 308.378 2.063 20 10 DECDHN CCOc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c([O-])c1 ZINC000824655190 648630397 /nfs/dbraw/zinc/63/03/97/648630397.db2.gz UQICWWXTCICYJJ-ZMSDIMECSA-N 0 3 321.417 2.153 20 10 DECDHN CCOc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c([O-])c1 ZINC000824655190 648630402 /nfs/dbraw/zinc/63/04/02/648630402.db2.gz UQICWWXTCICYJJ-ZMSDIMECSA-N 0 3 321.417 2.153 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCOC[C@@H]2OC)c1[O-] ZINC000824710544 648640412 /nfs/dbraw/zinc/64/04/12/648640412.db2.gz ZWPPAPAATDDXBS-YGRLFVJLSA-N 0 3 315.797 2.195 20 10 DECDHN [O-]c1cc2c(cc1C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1)OCO2 ZINC000824845135 648661124 /nfs/dbraw/zinc/66/11/24/648661124.db2.gz IFAOYOZOCUUERU-GUYCJALGSA-N 0 3 305.374 2.008 20 10 DECDHN COc1cc(Cl)cc(C[N@H+](CCO)[C@@H]2CCO[C@H]2C)c1[O-] ZINC000825130253 648707923 /nfs/dbraw/zinc/70/79/23/648707923.db2.gz QQULGZMDNBVHAM-GXFFZTMASA-N 0 3 315.797 2.026 20 10 DECDHN COc1cc(Cl)cc(C[N@@H+](CCO)[C@@H]2CCO[C@H]2C)c1[O-] ZINC000825130253 648707927 /nfs/dbraw/zinc/70/79/27/648707927.db2.gz QQULGZMDNBVHAM-GXFFZTMASA-N 0 3 315.797 2.026 20 10 DECDHN Cc1cc([O-])c(C[NH2+]C[C@H]2CN3CCC[C@H]3CO2)cc1Cl ZINC000825247186 648730878 /nfs/dbraw/zinc/73/08/78/648730878.db2.gz OEOFDJFTNWPRED-KBPBESRZSA-N 0 3 310.825 2.307 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](OC)[C@@H]2CCOC2)c1[O-] ZINC000826821769 648931672 /nfs/dbraw/zinc/93/16/72/648931672.db2.gz CSOMVCPIYHRRET-QMTHXVAHSA-N 0 3 315.797 2.195 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](OC)[C@H]2CCOC2)c1[O-] ZINC000826821768 648931748 /nfs/dbraw/zinc/93/17/48/648931748.db2.gz CSOMVCPIYHRRET-IINYFYTJSA-N 0 3 315.797 2.195 20 10 DECDHN [O-]c1c(C[NH+]2CCN([C@@H]3CCOC3)CC2)ccc2ccccc21 ZINC000827120459 648975560 /nfs/dbraw/zinc/97/55/60/648975560.db2.gz SMCDBOAOLQXNCV-QGZVFWFLSA-N 0 3 312.413 2.452 20 10 DECDHN COc1cccc([C@@H](C)NCCS(=O)(=O)C(C)(C)C)c1O ZINC000846151083 651311305 /nfs/dbraw/zinc/31/13/05/651311305.db2.gz UYYMMKTZNHSWCG-LLVKDONJSA-N 0 3 315.435 2.265 20 10 DECDHN CCOc1ccc(C[NH2+]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000848561966 651471110 /nfs/dbraw/zinc/47/11/10/651471110.db2.gz FCIGTIIDLNBPPY-KFWWJZLASA-N 0 3 322.449 2.378 20 10 DECDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)c1[O-] ZINC000848928439 651564637 /nfs/dbraw/zinc/56/46/37/651564637.db2.gz DITWHOLDVWAJDS-CYBMUJFWSA-N 0 3 310.781 2.427 20 10 DECDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccnn1C ZINC000850567624 651953984 /nfs/dbraw/zinc/95/39/84/651953984.db2.gz HPOASIGGQPKTMK-CQSZACIVSA-N 0 3 314.433 2.232 20 10 DECDHN C[C@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1CO ZINC000857061954 652044576 /nfs/dbraw/zinc/04/45/76/652044576.db2.gz XBYDQIITYPTOSJ-HOCLYGCPSA-N 0 3 322.424 2.113 20 10 DECDHN COc1ccc(N2CCCN(CCOC(F)F)CC2)cc1 ZINC000851733045 652219922 /nfs/dbraw/zinc/21/99/22/652219922.db2.gz IOKRLWDGKXFEGH-UHFFFAOYSA-N 0 3 300.349 2.447 20 10 DECDHN CN(C)c1cc(F)c(CNCC2([S@](C)=O)CC2)cc1F ZINC000858162039 652269705 /nfs/dbraw/zinc/26/97/05/652269705.db2.gz MGEIABNMPLLXRP-FQEVSTJZSA-N 0 3 302.390 2.032 20 10 DECDHN C[C@H]1C[C@H](C)CN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000039519479 683888010 /nfs/dbraw/zinc/88/80/10/683888010.db2.gz GHUHGWLMDSVPJQ-GJZGRUSLSA-N 0 3 303.450 2.347 20 10 DECDHN COc1ccc(O)c(CNC(=O)c2cccc(CN(C)C)c2)c1 ZINC000156454057 684289262 /nfs/dbraw/zinc/28/92/62/684289262.db2.gz CSYOZTDRIJFRCN-UHFFFAOYSA-N 0 3 314.385 2.392 20 10 DECDHN COc1cc(Cl)cc(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)c1[O-] ZINC000862427872 686301197 /nfs/dbraw/zinc/30/11/97/686301197.db2.gz GNRBODPRCAWWEQ-LBPRGKRZSA-N 0 3 312.797 2.107 20 10 DECDHN COc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)c1[O-] ZINC000862427872 686301206 /nfs/dbraw/zinc/30/12/06/686301206.db2.gz GNRBODPRCAWWEQ-LBPRGKRZSA-N 0 3 312.797 2.107 20 10 DECDHN Cc1cc(O)c(CNC[C@H](n2cncn2)C(F)(F)F)cc1C ZINC000865682068 687299943 /nfs/dbraw/zinc/29/99/43/687299943.db2.gz GCLSTXMWXGYLMC-ZDUSSCGKSA-N 0 3 314.311 2.494 20 10 DECDHN CONC(=O)C1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000872792994 689094768 /nfs/dbraw/zinc/09/47/68/689094768.db2.gz HTEGONAFHSJGFA-UHFFFAOYSA-N 0 3 314.385 2.435 20 10 DECDHN CO[C@]1(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CCOC1 ZINC000876531650 689848966 /nfs/dbraw/zinc/84/89/66/689848966.db2.gz LJPDGERTBSKXGI-AEFFLSMTSA-N 0 3 321.417 2.179 20 10 DECDHN CO[C@]1(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CCOC1 ZINC000876531650 689848970 /nfs/dbraw/zinc/84/89/70/689848970.db2.gz LJPDGERTBSKXGI-AEFFLSMTSA-N 0 3 321.417 2.179 20 10 DECDHN CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(C)cc1[O-])CC2 ZINC000876763272 689929373 /nfs/dbraw/zinc/92/93/73/689929373.db2.gz JROQLXBPGPVDMM-IAGOWNOFSA-N 0 3 305.418 2.453 20 10 DECDHN Cc1cccc([O-])c1C[NH2+]CCc1nnc2n1CCCCC2 ZINC000876920371 689972971 /nfs/dbraw/zinc/97/29/71/689972971.db2.gz PDVBPGVAVPUINF-UHFFFAOYSA-N 0 3 300.406 2.351 20 10 DECDHN COc1ccc(C(=O)NCC[NH2+]Cc2c(C)cccc2[O-])cc1 ZINC000876956138 689982450 /nfs/dbraw/zinc/98/24/50/689982450.db2.gz HMPTTYLTXKDNGP-UHFFFAOYSA-N 0 3 314.385 2.229 20 10 DECDHN Cc1cccc(O)c1CN1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000877483988 690126818 /nfs/dbraw/zinc/12/68/18/690126818.db2.gz SJCNFIMUSFAAPK-HNNXBMFYSA-N 0 3 317.433 2.278 20 10 DECDHN CCOC(=O)CC1([NH2+]Cc2ccc(C)cc2[O-])CCOCC1 ZINC000877640115 690176056 /nfs/dbraw/zinc/17/60/56/690176056.db2.gz VBLLJEOKLIXCKK-UHFFFAOYSA-N 0 3 307.390 2.293 20 10 DECDHN COc1ccc(N2CCN(CC[C@H](O)C(C)C)CC2)cc1F ZINC000878181156 690337970 /nfs/dbraw/zinc/33/79/70/690337970.db2.gz MJUBIYBWBBEQNR-INIZCTEOSA-N 0 3 310.413 2.363 20 10 DECDHN Cc1cc(CN2CCN(C)C[C@@H]2CO)ccc1N1CCCCC1 ZINC000879001325 690546269 /nfs/dbraw/zinc/54/62/69/690546269.db2.gz UPKRRUNUVCLCPM-GOSISDBHSA-N 0 3 317.477 2.094 20 10 DECDHN CCCn1nccc1NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651416 690699382 /nfs/dbraw/zinc/69/93/82/690699382.db2.gz UTSDBKHOKYIARP-LBPRGKRZSA-N 0 3 302.378 2.288 20 10 DECDHN Cc1cc(CN2CCNC(=O)CC23CCC3)ccc1N(C)C ZINC000880166833 690827950 /nfs/dbraw/zinc/82/79/50/690827950.db2.gz DWIDZOZOMKQEQN-UHFFFAOYSA-N 0 3 301.434 2.306 20 10 DECDHN CC(=O)c1cc(F)cc(CN2CCC3(CC2)COCCO3)c1O ZINC000880542281 690922665 /nfs/dbraw/zinc/92/26/65/690922665.db2.gz UQIKBWVHJWEXNX-UHFFFAOYSA-N 0 3 323.364 2.115 20 10 DECDHN C[C@H]([NH2+]CC(=O)N1C[C@@H](C)OC(C)(C)C1)c1ccccc1[O-] ZINC000931553870 694427803 /nfs/dbraw/zinc/42/78/03/694427803.db2.gz IGVRYGFRCWYHDT-OLZOCXBDSA-N 0 3 306.406 2.069 20 10 DECDHN C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1cnccn1 ZINC000883289398 691473818 /nfs/dbraw/zinc/47/38/18/691473818.db2.gz NKMBXENMXYKFHG-HNNXBMFYSA-N 0 3 311.433 2.079 20 10 DECDHN C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000895328477 692995427 /nfs/dbraw/zinc/99/54/27/692995427.db2.gz GKPFGPYTHOJNIX-MJGOQNOKSA-N 0 3 313.397 2.377 20 10 DECDHN C[C@@]1(CO)C[C@@H](O)C[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000895328477 692995430 /nfs/dbraw/zinc/99/54/30/692995430.db2.gz GKPFGPYTHOJNIX-MJGOQNOKSA-N 0 3 313.397 2.377 20 10 DECDHN COc1ccc(N2CC[C@@H](N[C@@H]3CCC3(OC)OC)C2)cc1 ZINC000926681239 693491831 /nfs/dbraw/zinc/49/18/31/693491831.db2.gz XBVAWZAMQVVKRA-CZUORRHYSA-N 0 3 306.406 2.015 20 10 DECDHN CN(C)c1ccc(CNC(=O)CN2CC3CCC2CC3)cc1 ZINC001345028956 1150859634 /nfs/dbraw/zinc/85/96/34/1150859634.db2.gz CRRBERBFMMCPGC-UHFFFAOYSA-N 0 3 301.434 2.243 20 10 DECDHN CCS(=O)(=O)C1(CNCc2ccc(N3CCCC3)cc2)CC1 ZINC001350583458 1151371763 /nfs/dbraw/zinc/37/17/63/1151371763.db2.gz LENDOVPTKTXWHY-UHFFFAOYSA-N 0 3 322.474 2.344 20 10 DECDHN CNc1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cn1 ZINC001167434472 777034342 /nfs/dbraw/zinc/03/43/42/777034342.db2.gz LTIUACLOSYMZFU-UHFFFAOYSA-N 0 3 311.433 2.487 20 10 DECDHN CS(=O)(=O)c1cccc(C[NH2+]Cc2cc(F)ccc2[O-])c1 ZINC001181788044 795539235 /nfs/dbraw/zinc/53/92/35/795539235.db2.gz WSFKCLBSZNTPJQ-UHFFFAOYSA-N 0 3 309.362 2.225 20 10 DECDHN Cc1ccc(C)c(CN2CCN(C[C@H]3CCCO3)CC2)c1O ZINC001140179708 796486594 /nfs/dbraw/zinc/48/65/94/796486594.db2.gz MWLAZBUACYAQHU-MRXNPFEDSA-N 0 3 304.434 2.306 20 10 DECDHN C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2F)CC[C@@]1(C)O ZINC001140660600 796552569 /nfs/dbraw/zinc/55/25/69/796552569.db2.gz XNEKBFFHPCMPTM-RDTXWAMCSA-N 0 3 322.424 2.255 20 10 DECDHN Fc1cc(N2CCOCC2)ccc1CN1CCC2(COC2)CC1 ZINC001140662595 796553190 /nfs/dbraw/zinc/55/31/90/796553190.db2.gz ZWFVPHKNHRJMFZ-UHFFFAOYSA-N 0 3 320.408 2.275 20 10 DECDHN OC[C@H]1CCCCN1Cc1ccc(N2CCOCC2)cc1F ZINC001140662465 796553681 /nfs/dbraw/zinc/55/36/81/796553681.db2.gz VOIPENFLRSMUIA-MRXNPFEDSA-N 0 3 308.397 2.009 20 10 DECDHN CCOCCN(CCOCC)Cc1ccc2c(c1)OCCN2C ZINC001141144077 796638909 /nfs/dbraw/zinc/63/89/09/796638909.db2.gz VWXHNWJCUCGBBL-UHFFFAOYSA-N 0 3 322.449 2.390 20 10 DECDHN Oc1ccc(O)c(CN2CC[C@H](N3CCCCC3)[C@@H](F)C2)c1 ZINC001141162693 796643250 /nfs/dbraw/zinc/64/32/50/796643250.db2.gz ABAPHHSLQBHSGL-HOTGVXAUSA-N 0 3 308.397 2.496 20 10 DECDHN CN(C)Cc1ccccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001159495433 798572005 /nfs/dbraw/zinc/57/20/05/798572005.db2.gz WFYJPQBXZKUGAU-UHFFFAOYSA-N 0 3 300.358 2.341 20 10 DECDHN [O-]c1ccccc1C[NH+]1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC001203552372 800078519 /nfs/dbraw/zinc/07/85/19/800078519.db2.gz LIKVJJMFHCPTRO-GJZGRUSLSA-N 0 3 315.442 2.413 20 10 DECDHN CCN1C(=O)CCC12CC[NH+](Cc1ccc(OC)cc1[O-])CC2 ZINC001203622146 800092173 /nfs/dbraw/zinc/09/21/73/800092173.db2.gz QNUKHRBRDVQMDM-UHFFFAOYSA-N 0 3 318.417 2.378 20 10 DECDHN COc1ccc(C[N@H+](C(C)C)[C@H]2CCN(C(C)=O)C2)c([O-])c1 ZINC001203634395 800095209 /nfs/dbraw/zinc/09/52/09/800095209.db2.gz CYTBSWGFQAHJLR-HNNXBMFYSA-N 0 3 306.406 2.232 20 10 DECDHN COc1ccc(C[N@@H+](C(C)C)[C@H]2CCN(C(C)=O)C2)c([O-])c1 ZINC001203634395 800095215 /nfs/dbraw/zinc/09/52/15/800095215.db2.gz CYTBSWGFQAHJLR-HNNXBMFYSA-N 0 3 306.406 2.232 20 10 DECDHN C[NH+](C)CCCN1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC001203664163 800101912 /nfs/dbraw/zinc/10/19/12/800101912.db2.gz PIWMEGAGJBSTKT-UHFFFAOYSA-N 0 3 311.857 2.115 20 10 DECDHN CN(C)c1ccc(CN2C[C@H](CO)[C@@H](C(F)(F)F)C2)cc1 ZINC001203930492 800148121 /nfs/dbraw/zinc/14/81/21/800148121.db2.gz VQQDXFLXUBDGHS-OCCSQVGLSA-N 0 3 302.340 2.355 20 10 DECDHN CC(C)(C)c1cc([O-])c(CN2C[C@H]([NH3+])C[C@@H](O)C2)cc1Cl ZINC001204954925 800277746 /nfs/dbraw/zinc/27/77/46/800277746.db2.gz IKSLSUSSUDISPK-VXGBXAGGSA-N 0 3 312.841 2.237 20 10 DECDHN CC(C)(C)c1cc([O-])c(CN2C[C@@H]([NH3+])C[C@H](O)C2)cc1Cl ZINC001204954923 800277885 /nfs/dbraw/zinc/27/78/85/800277885.db2.gz IKSLSUSSUDISPK-RYUDHWBXSA-N 0 3 312.841 2.237 20 10 DECDHN COc1ccc(N2CCN(CCCC3OCCO3)CC2)c(C)c1 ZINC001209308963 801168219 /nfs/dbraw/zinc/16/82/19/801168219.db2.gz MBIDIEXAGCLERQ-UHFFFAOYSA-N 0 3 320.433 2.279 20 10 DECDHN CCOC(=O)[C@H]1CN(Cc2c(C)cc(C)cc2O)CCS1 ZINC001231851041 801737047 /nfs/dbraw/zinc/73/70/47/801737047.db2.gz YBROSIANKRBRJE-OAHLLOKOSA-N 0 3 309.431 2.490 20 10 DECDHN COC(=O)c1c(CN2CCCC[C@H](O)C2)c2ccccc2n1C ZINC001232402376 801870922 /nfs/dbraw/zinc/87/09/22/801870922.db2.gz MGULZYQKDAFNBU-ZDUSSCGKSA-N 0 3 316.401 2.312 20 10 DECDHN CCOC(=O)c1c(CN(C)CC2COC2)c2ccccc2n1C ZINC001233272603 802059280 /nfs/dbraw/zinc/05/92/80/802059280.db2.gz RQLXFSVRMBKWSQ-UHFFFAOYSA-N 0 3 316.401 2.433 20 10 DECDHN CCOC(=O)c1c(CN2CCC[C@@H]2CO)c2ccccc2n1C ZINC001233270570 802060376 /nfs/dbraw/zinc/06/03/76/802060376.db2.gz RUIFFYOJEBLFGS-CYBMUJFWSA-N 0 3 316.401 2.312 20 10 DECDHN C[NH+](C)C[C@H]1CN(Cc2ccc(C(F)(F)F)cc2[O-])CCO1 ZINC001233452313 802120529 /nfs/dbraw/zinc/12/05/29/802120529.db2.gz QYGGQZKGBFNNAQ-ZDUSSCGKSA-N 0 3 318.339 2.173 20 10 DECDHN COc1ccc2c(c1O[C@@H]1CN[C@@H]1C)C(=O)c1ccccc1C2=O ZINC001218387543 802176355 /nfs/dbraw/zinc/17/63/55/802176355.db2.gz QECDPNVZMYEUFY-MEBBXXQBSA-N 0 3 323.348 2.210 20 10 DECDHN COc1cccc([C@H](C)N[C@H](C)C(=O)NCC(F)(F)F)c1O ZINC001328725223 1148828585 /nfs/dbraw/zinc/82/85/85/1148828585.db2.gz ALCOHVHYIOOWIF-DTWKUNHWSA-N 0 3 320.311 2.118 20 10 DECDHN CC1CCN(CCNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001625592759 1078248394 /nfs/dbraw/zinc/24/83/94/1078248394.db2.gz CCYAPUHCRFVNCC-UHFFFAOYSA-N 0 3 317.393 2.311 20 10 DECDHN COc1ccc(CNC2(CNC(=O)C(C)(C)F)CC2)cc1C ZINC001670738232 1078571105 /nfs/dbraw/zinc/57/11/05/1078571105.db2.gz AELFMSHGQQTTTO-UHFFFAOYSA-N 0 3 308.397 2.490 20 10 DECDHN COc1cc(C)c(C[NH+]2CCC(C3OCCO3)CC2)c([O-])c1 ZINC001560632656 1075143646 /nfs/dbraw/zinc/14/36/46/1075143646.db2.gz XPDGQLGHRGHQLX-UHFFFAOYSA-N 0 3 307.390 2.294 20 10 DECDHN COc1cc(C)c(C[NH2+]C[C@@]2(OC(C)C)CCOC2)c([O-])c1 ZINC001561017521 1075149319 /nfs/dbraw/zinc/14/93/19/1075149319.db2.gz AJXHAMHFEYKVDT-KRWDZBQOSA-N 0 3 309.406 2.383 20 10 DECDHN CC(=O)NCc1ccc(C[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC001665223127 1081002141 /nfs/dbraw/zinc/00/21/41/1081002141.db2.gz JXLZZDVCRDFBLC-UHFFFAOYSA-N 0 3 302.349 2.457 20 10 DECDHN O=C(NCC(F)F)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC001277441766 1083970970 /nfs/dbraw/zinc/97/09/70/1083970970.db2.gz OUVPTGMYLDUFQR-YWVIFJGQSA-N 0 3 324.371 2.232 20 10 DECDHN O=C(NCC(F)F)[C@H]1[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC001277441766 1083970979 /nfs/dbraw/zinc/97/09/79/1083970979.db2.gz OUVPTGMYLDUFQR-YWVIFJGQSA-N 0 3 324.371 2.232 20 10 DECDHN CCN1CCN(c2ccc(O[C@H]3C(=O)OCC3(C)C)cc2)CC1 ZINC001234657858 1084189002 /nfs/dbraw/zinc/18/90/02/1084189002.db2.gz KDCHSMKKQULHSW-INIZCTEOSA-N 0 3 318.417 2.159 20 10 DECDHN Cc1cc(CN2CC[C@@H]3[NH2+]CC[C@H]32)c([O-])cc1Br ZINC001235053889 1084287980 /nfs/dbraw/zinc/28/79/80/1084287980.db2.gz LEVWVEKUNSMTFM-QWHCGFSZSA-N 0 3 311.223 2.399 20 10 DECDHN CCc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NC)CC2)c([O-])c1 ZINC001274653918 1091353994 /nfs/dbraw/zinc/35/39/94/1091353994.db2.gz BFGKFROUZNMKGP-HNNXBMFYSA-N 0 3 302.418 2.303 20 10 DECDHN CCOC(=O)[C@H]1CN(Cc2ccc(CC)cc2O)CCS1 ZINC001236787693 1138428301 /nfs/dbraw/zinc/42/83/01/1138428301.db2.gz JXYCBJKZLGLMNM-OAHLLOKOSA-N 0 3 309.431 2.435 20 10 DECDHN CCc1ccc(C[NH+]2CCC(NC(=O)C3CC3)CC2)c([O-])c1 ZINC001236794276 1138430515 /nfs/dbraw/zinc/43/05/15/1138430515.db2.gz KJCUIGQVIHHCRU-UHFFFAOYSA-N 0 3 302.418 2.445 20 10 DECDHN CCOC(=O)[C@@H]1CCC[N@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001236810071 1138435460 /nfs/dbraw/zinc/43/54/60/1138435460.db2.gz BKFYKPIXPSAUIR-CYBMUJFWSA-N 0 3 307.390 2.484 20 10 DECDHN CCOC(=O)[C@@H]1CCC[N@@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001236810071 1138435468 /nfs/dbraw/zinc/43/54/68/1138435468.db2.gz BKFYKPIXPSAUIR-CYBMUJFWSA-N 0 3 307.390 2.484 20 10 DECDHN COc1cc(C)c(C[NH+]2CCC(NC(=O)C3CC3)CC2)c([O-])c1 ZINC001236813973 1138437862 /nfs/dbraw/zinc/43/78/62/1138437862.db2.gz NPZKAVXSGQUIEX-UHFFFAOYSA-N 0 3 318.417 2.200 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCCC[C@]23CC(=O)N(C)C3)c([O-])c1 ZINC001237043123 1138488260 /nfs/dbraw/zinc/48/82/60/1138488260.db2.gz NYXZNYSLZRNPJZ-GOSISDBHSA-N 0 3 318.417 2.378 20 10 DECDHN CCOc1ccc(C[N@H+]2CCCC[C@]23CC(=O)N(C)C3)c([O-])c1 ZINC001237043123 1138488269 /nfs/dbraw/zinc/48/82/69/1138488269.db2.gz NYXZNYSLZRNPJZ-GOSISDBHSA-N 0 3 318.417 2.378 20 10 DECDHN COC(=O)CO[C@H]1CC[N@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237050392 1138488844 /nfs/dbraw/zinc/48/88/44/1138488844.db2.gz AWNFKCZCEGHKHA-HNNXBMFYSA-N 0 3 307.390 2.280 20 10 DECDHN COC(=O)CO[C@H]1CC[N@@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237050392 1138488846 /nfs/dbraw/zinc/48/88/46/1138488846.db2.gz AWNFKCZCEGHKHA-HNNXBMFYSA-N 0 3 307.390 2.280 20 10 DECDHN CCCNC(=O)COC1CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC001237495533 1138657049 /nfs/dbraw/zinc/65/70/49/1138657049.db2.gz QZFTZFQJFOQITC-UHFFFAOYSA-N 0 3 320.433 2.208 20 10 DECDHN COC[C@@H]1CCCC[N@@H+]1Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249177864 1141857470 /nfs/dbraw/zinc/85/74/70/1141857470.db2.gz KRDAFABOSGTVJT-HNNXBMFYSA-N 0 3 307.390 2.109 20 10 DECDHN COC[C@@H]1CCCC[N@H+]1Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249177864 1141857471 /nfs/dbraw/zinc/85/74/71/1141857471.db2.gz KRDAFABOSGTVJT-HNNXBMFYSA-N 0 3 307.390 2.109 20 10 DECDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](OC(C)C)C2)c([O-])c1 ZINC001249215106 1141860268 /nfs/dbraw/zinc/86/02/68/1141860268.db2.gz VZYILSCSWVATOA-OAHLLOKOSA-N 0 3 307.390 2.107 20 10 DECDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](OC(C)C)C2)c([O-])c1 ZINC001249215106 1141860271 /nfs/dbraw/zinc/86/02/71/1141860271.db2.gz VZYILSCSWVATOA-OAHLLOKOSA-N 0 3 307.390 2.107 20 10 DECDHN CCCN1CCCC[C@@H]1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC001324120224 1142010839 /nfs/dbraw/zinc/01/08/39/1142010839.db2.gz AYNSJPDPEJHJNI-UKRRQHHQSA-N 0 3 320.433 2.410 20 10 DECDHN Cc1ccc(OC[C@@H](O)C[N@@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001253826936 1142965818 /nfs/dbraw/zinc/96/58/18/1142965818.db2.gz CCIYSJIJPQHLAC-INIZCTEOSA-N 0 3 313.397 2.499 20 10 DECDHN Cc1ccc(OC[C@@H](O)C[N@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001253826936 1142965827 /nfs/dbraw/zinc/96/58/27/1142965827.db2.gz CCIYSJIJPQHLAC-INIZCTEOSA-N 0 3 313.397 2.499 20 10 DECDHN CN(C)Cc1cccc(C(=O)NCc2c(O)cccc2O)c1 ZINC001304053425 1147344769 /nfs/dbraw/zinc/34/47/69/1147344769.db2.gz KTJVUDOIOWRUSM-UHFFFAOYSA-N 0 3 300.358 2.089 20 10 DECDHN COCCCNC(=O)C1CC[NH+](Cc2cc(C)ccc2[O-])CC1 ZINC000092362086 185313929 /nfs/dbraw/zinc/31/39/29/185313929.db2.gz BELDAPGGCXRMFN-UHFFFAOYSA-N 0 3 320.433 2.065 20 10 DECDHN Cc1cc(O)c(CN2CCN(c3cnn(C)c3)CC2)cc1C ZINC000074722193 355045368 /nfs/dbraw/zinc/04/53/68/355045368.db2.gz BUFLXMSGWBRWPR-UHFFFAOYSA-N 0 3 300.406 2.065 20 10 DECDHN O=C(c1cccc2c1CCNC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595923461 358582088 /nfs/dbraw/zinc/58/20/88/358582088.db2.gz WBYMAEKQJYXASX-UHFFFAOYSA-N 0 3 323.352 2.443 20 10 DECDHN COCCOCCOCCC[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000274655279 130252335 /nfs/dbraw/zinc/25/23/35/130252335.db2.gz MFAPYKDUWOSYFJ-HNNXBMFYSA-N 0 3 311.422 2.421 20 10 DECDHN C[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@H](O)c1ccccc1 ZINC000288549172 131330245 /nfs/dbraw/zinc/33/02/45/131330245.db2.gz LIJQTXXCTJEEOJ-DIFFPNOSSA-N 0 3 301.342 2.333 20 10 DECDHN CC[C@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)N(C)C ZINC000298684600 132073477 /nfs/dbraw/zinc/07/34/77/132073477.db2.gz USTUFVITGBXGFW-HZPDHXFCSA-N 0 3 320.433 2.240 20 10 DECDHN C[C@@H](NCCNC(=O)c1ccco1)c1ccc(N(C)C)cc1 ZINC000120280605 401984736 /nfs/dbraw/zinc/98/47/36/401984736.db2.gz GDPDEDVDMRCANN-CYBMUJFWSA-N 0 3 301.390 2.426 20 10 DECDHN C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C[C@@H]1n1ccnc1 ZINC000121707111 402049591 /nfs/dbraw/zinc/04/95/91/402049591.db2.gz QSVCFCBOYXSXPM-OCCSQVGLSA-N 0 3 315.373 2.401 20 10 DECDHN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C[C@@H]1n1ccnc1 ZINC000121707111 402049594 /nfs/dbraw/zinc/04/95/94/402049594.db2.gz QSVCFCBOYXSXPM-OCCSQVGLSA-N 0 3 315.373 2.401 20 10 DECDHN CCN(CC)c1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1F ZINC000155026548 402241758 /nfs/dbraw/zinc/24/17/58/402241758.db2.gz ZMVALMSIKYBFRR-CQSZACIVSA-N 0 3 307.413 2.369 20 10 DECDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](CNC(C)=O)C2)c1[O-] ZINC000155597635 402262458 /nfs/dbraw/zinc/26/24/58/402262458.db2.gz AOMZJQXRTQUROT-AWEZNQCLSA-N 0 3 306.406 2.139 20 10 DECDHN CCOc1cccc(C[N@H+]2CCC[C@@H](CNC(C)=O)C2)c1[O-] ZINC000155597635 402262459 /nfs/dbraw/zinc/26/24/59/402262459.db2.gz AOMZJQXRTQUROT-AWEZNQCLSA-N 0 3 306.406 2.139 20 10 DECDHN O=S1(=O)CC[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000071792500 402277218 /nfs/dbraw/zinc/27/72/18/402277218.db2.gz MJPHOAXKZKUHBG-MRXNPFEDSA-N 0 3 317.410 2.336 20 10 DECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCN2CCOCC2(C)C)c1 ZINC000185333782 402344804 /nfs/dbraw/zinc/34/48/04/402344804.db2.gz GISMNJLDANBDIY-CYBMUJFWSA-N 0 3 308.422 2.162 20 10 DECDHN COc1ccc([O-])c(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000237204691 402399450 /nfs/dbraw/zinc/39/94/50/402399450.db2.gz SBBMVUKEPBABOR-LLVKDONJSA-N 0 3 318.339 2.375 20 10 DECDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)CCN2CCN(C)CC2)c([O-])c1 ZINC000186569705 402442892 /nfs/dbraw/zinc/44/28/92/402442892.db2.gz JGXACSUPLXPTTQ-HZPDHXFCSA-N 0 3 305.466 2.377 20 10 DECDHN CCO[C@@H]1C[C@@](CO)(NCc2ccc3c(c2)CCO3)C1(C)C ZINC000186593989 402445899 /nfs/dbraw/zinc/44/58/99/402445899.db2.gz IGOGJZSPVYFDFR-AEFFLSMTSA-N 0 3 305.418 2.277 20 10 DECDHN C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cccc(O)c2[O-])C1 ZINC000186943774 402472590 /nfs/dbraw/zinc/47/25/90/402472590.db2.gz CDKVBFLKBSBFFW-CYBMUJFWSA-N 0 3 306.406 2.340 20 10 DECDHN C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cccc(O)c2[O-])C1 ZINC000186943774 402472593 /nfs/dbraw/zinc/47/25/93/402472593.db2.gz CDKVBFLKBSBFFW-CYBMUJFWSA-N 0 3 306.406 2.340 20 10 DECDHN Cc1cccc(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c1[O-] ZINC000179702268 402598081 /nfs/dbraw/zinc/59/80/81/402598081.db2.gz VXULKHIGRDKZQJ-MRXNPFEDSA-N 0 3 302.418 2.439 20 10 DECDHN Cc1cccc(C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c1[O-] ZINC000179702268 402598083 /nfs/dbraw/zinc/59/80/83/402598083.db2.gz VXULKHIGRDKZQJ-MRXNPFEDSA-N 0 3 302.418 2.439 20 10 DECDHN CCOc1cccc(C[NH2+]C(C)(C)CCS(C)(=O)=O)c1[O-] ZINC000174640262 402750325 /nfs/dbraw/zinc/75/03/25/402750325.db2.gz JDGNAHAOOQGWEF-UHFFFAOYSA-N 0 3 315.435 2.094 20 10 DECDHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)N1CCCCCC1 ZINC000183421690 402765714 /nfs/dbraw/zinc/76/57/14/402765714.db2.gz OMUYNRDVXOCOCM-ZIAGYGMSSA-N 0 3 320.433 2.410 20 10 DECDHN CCOc1ccc(O)c(CNCc2ccc(NC(C)=O)nc2)c1 ZINC000278597356 402868664 /nfs/dbraw/zinc/86/86/64/402868664.db2.gz HNEUFSPRHXYEEZ-UHFFFAOYSA-N 0 3 315.373 2.434 20 10 DECDHN COc1cccc(CN2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1O ZINC000280565721 403013687 /nfs/dbraw/zinc/01/36/87/403013687.db2.gz VIZFMDFZFYYISG-OGHNNQOOSA-N 0 3 307.390 2.169 20 10 DECDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1ncccn1 ZINC000269491709 403143266 /nfs/dbraw/zinc/14/32/66/403143266.db2.gz ZBMIYULHSQVBEE-ZDUSSCGKSA-N 0 3 314.389 2.421 20 10 DECDHN C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc(F)ccc1[O-] ZINC000282464069 403154840 /nfs/dbraw/zinc/15/48/40/403154840.db2.gz VTRVPYVLWLQFMW-ZDUSSCGKSA-N 0 3 309.429 2.208 20 10 DECDHN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000271162601 403271477 /nfs/dbraw/zinc/27/14/77/403271477.db2.gz YLDDEVZNFIPEGT-HUUCEWRRSA-N 0 3 320.433 2.064 20 10 DECDHN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000271162601 403271479 /nfs/dbraw/zinc/27/14/79/403271479.db2.gz YLDDEVZNFIPEGT-HUUCEWRRSA-N 0 3 320.433 2.064 20 10 DECDHN Cc1ccc([O-])c(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c1 ZINC000285416426 403291182 /nfs/dbraw/zinc/29/11/82/403291182.db2.gz GFENBPSISZSBML-CQSZACIVSA-N 0 3 318.339 2.053 20 10 DECDHN Cc1ccc(O)c(CNC[C@@H](N2CCOCC2)C(F)(F)F)c1 ZINC000285416426 403291187 /nfs/dbraw/zinc/29/11/87/403291187.db2.gz GFENBPSISZSBML-CQSZACIVSA-N 0 3 318.339 2.053 20 10 DECDHN C[N@@H+](Cc1cc2c(cc1[O-])OCO2)C[C@H](O)Cc1ccccc1 ZINC000293865754 403585397 /nfs/dbraw/zinc/58/53/97/403585397.db2.gz INFFYOZQICPRFX-OAHLLOKOSA-N 0 3 315.369 2.156 20 10 DECDHN C[N@H+](Cc1cc2c(cc1[O-])OCO2)C[C@H](O)Cc1ccccc1 ZINC000293865754 403585401 /nfs/dbraw/zinc/58/54/01/403585401.db2.gz INFFYOZQICPRFX-OAHLLOKOSA-N 0 3 315.369 2.156 20 10 DECDHN CS(=O)(=O)CC1CCC([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000295051013 403743167 /nfs/dbraw/zinc/74/31/67/403743167.db2.gz FVDXGLDXSXVIHN-UHFFFAOYSA-N 0 3 315.410 2.224 20 10 DECDHN CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000289684834 403993203 /nfs/dbraw/zinc/99/32/03/403993203.db2.gz OAFWLRKJEPJQOE-CYBMUJFWSA-N 0 3 320.389 2.002 20 10 DECDHN CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000289684834 403993208 /nfs/dbraw/zinc/99/32/08/403993208.db2.gz OAFWLRKJEPJQOE-CYBMUJFWSA-N 0 3 320.389 2.002 20 10 DECDHN Cc1cccc(C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)c1[O-] ZINC000289768737 403998267 /nfs/dbraw/zinc/99/82/67/403998267.db2.gz RFFUCWIIADTDKN-MRXNPFEDSA-N 0 3 317.433 2.470 20 10 DECDHN Cc1cn[nH]c1CNCc1ccc(N2CCC(CO)CC2)cc1 ZINC000290035707 404017875 /nfs/dbraw/zinc/01/78/75/404017875.db2.gz WDMSPZTWGYZWDP-UHFFFAOYSA-N 0 3 314.433 2.217 20 10 DECDHN CNC(=O)OC[C@@H]1CCCCN1Cc1cccc(OC)c1O ZINC000290226142 404088321 /nfs/dbraw/zinc/08/83/21/404088321.db2.gz SHXGIALDFQYWJK-ZDUSSCGKSA-N 0 3 308.378 2.111 20 10 DECDHN [O-]c1cccc2c1[C@H]([NH2+]C1CCN(c3cccnn3)CC1)CC2 ZINC000296314661 404191508 /nfs/dbraw/zinc/19/15/08/404191508.db2.gz FLBSKZDQDWNMJV-OAHLLOKOSA-N 0 3 310.401 2.428 20 10 DECDHN C[C@@H]1CN(CCC[NH2+][C@H]2CCc3cccc([O-])c32)CCCO1 ZINC000296618185 404311529 /nfs/dbraw/zinc/31/15/29/404311529.db2.gz YYXYNCJQLYLCGY-ZBFHGGJFSA-N 0 3 304.434 2.470 20 10 DECDHN CCOc1ccc([O-])c(C[NH2+]CC2(COC)CCOCC2)c1 ZINC000291796376 404526380 /nfs/dbraw/zinc/52/63/80/404526380.db2.gz WRMVIEAEEJWIHL-UHFFFAOYSA-N 0 3 309.406 2.324 20 10 DECDHN c1cnn([C@H]2CCN(Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000365829840 404727481 /nfs/dbraw/zinc/72/74/81/404727481.db2.gz CXVSVMKWTOKVTR-SFHVURJKSA-N 0 3 312.417 2.167 20 10 DECDHN COc1cccc(CN2C[C@H](C)O[C@@]3(CCCOC3)C2)c1O ZINC000366462591 404795753 /nfs/dbraw/zinc/79/57/53/404795753.db2.gz LSKKTNGYPMEUHS-GUYCJALGSA-N 0 3 307.390 2.171 20 10 DECDHN CCN(C)CCNC(=O)NCc1c(C)c2ccccc2n1C ZINC000471741579 406115087 /nfs/dbraw/zinc/11/50/87/406115087.db2.gz NVFONDAEXLIQOS-UHFFFAOYSA-N 0 3 302.422 2.238 20 10 DECDHN Cn1ccnc1[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000369684811 227037315 /nfs/dbraw/zinc/03/73/15/227037315.db2.gz XQBNLFYDSYQONW-LBPRGKRZSA-N 0 3 315.373 2.234 20 10 DECDHN Cn1ccnc1[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000369684811 227037317 /nfs/dbraw/zinc/03/73/17/227037317.db2.gz XQBNLFYDSYQONW-LBPRGKRZSA-N 0 3 315.373 2.234 20 10 DECDHN C[C@@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1ccccc1[O-] ZINC000315422326 337986903 /nfs/dbraw/zinc/98/69/03/337986903.db2.gz ISVSXBSKCRRFHB-DOMZBBRYSA-N 0 3 301.390 2.309 20 10 DECDHN Cc1ccc([O-])c(C[NH+]2CCC(C)(N3CCOCC3)CC2)c1 ZINC000529665491 340767165 /nfs/dbraw/zinc/76/71/65/340767165.db2.gz YZNZMUZHEUBPNR-UHFFFAOYSA-N 0 3 304.434 2.387 20 10 DECDHN COc1ccc(O)c(CN2CCC([C@H](O)c3ncc[nH]3)CC2)c1 ZINC000369093643 534198482 /nfs/dbraw/zinc/19/84/82/534198482.db2.gz WSPRLRRENHPOEV-INIZCTEOSA-N 0 3 317.389 2.070 20 10 DECDHN COc1ccc([O-])c(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)c1 ZINC000369093643 534198484 /nfs/dbraw/zinc/19/84/84/534198484.db2.gz WSPRLRRENHPOEV-INIZCTEOSA-N 0 3 317.389 2.070 20 10 DECDHN CCCOc1ccc(C[N@@H+]2CC[C@H](OCCOC)C2)c([O-])c1 ZINC000188826060 520350914 /nfs/dbraw/zinc/35/09/14/520350914.db2.gz HFYGNBDKAZILNP-INIZCTEOSA-N 0 3 309.406 2.418 20 10 DECDHN CCCOc1ccc(C[N@H+]2CC[C@H](OCCOC)C2)c([O-])c1 ZINC000188826060 520350918 /nfs/dbraw/zinc/35/09/18/520350918.db2.gz HFYGNBDKAZILNP-INIZCTEOSA-N 0 3 309.406 2.418 20 10 DECDHN CCOc1cccc(C[NH+]2CCC(C3OCCO3)CC2)c1[O-] ZINC000130077155 521337696 /nfs/dbraw/zinc/33/76/96/521337696.db2.gz AMDOWGKEUNVMEN-UHFFFAOYSA-N 0 3 307.390 2.376 20 10 DECDHN CCOc1cccc(CN2CC[C@H](C(=O)OC)[C@H](C)C2)c1O ZINC000188114952 521343650 /nfs/dbraw/zinc/34/36/50/521343650.db2.gz KLYLBMWLQVHCPI-OCCSQVGLSA-N 0 3 307.390 2.422 20 10 DECDHN CC[C@H]([NH2+]C[C@@H](C)CN1CCN(C)CC1)c1ccccc1[O-] ZINC000155655722 522608226 /nfs/dbraw/zinc/60/82/26/522608226.db2.gz OEBQPFYXCKJVEM-WBVHZDCISA-N 0 3 305.466 2.316 20 10 DECDHN CC[C@@H]([NH2+]C[C@@H](C)CN1CCN(C)CC1)c1ccccc1[O-] ZINC000155655834 522847749 /nfs/dbraw/zinc/84/77/49/522847749.db2.gz OEBQPFYXCKJVEM-NVXWUHKLSA-N 0 3 305.466 2.316 20 10 DECDHN C[C@]1(C(=O)NCc2ccc(N3CCCC3)cc2)CCCCN1 ZINC000180990321 525209935 /nfs/dbraw/zinc/20/99/35/525209935.db2.gz CZSXNKZWLVOMQM-GOSISDBHSA-N 0 3 301.434 2.435 20 10 DECDHN C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccccc1[O-] ZINC000179902902 525568866 /nfs/dbraw/zinc/56/88/66/525568866.db2.gz SPWJOCOBSIPEDO-GXSJLCMTSA-N 0 3 302.296 2.206 20 10 DECDHN Cc1nccn1CCC[N@@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000162816768 527410470 /nfs/dbraw/zinc/41/04/70/527410470.db2.gz KZQKGDIFSOYBIE-UHFFFAOYSA-N 0 3 303.362 2.148 20 10 DECDHN Cc1nccn1CCC[N@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000162816768 527410471 /nfs/dbraw/zinc/41/04/71/527410471.db2.gz KZQKGDIFSOYBIE-UHFFFAOYSA-N 0 3 303.362 2.148 20 10 DECDHN CCOc1ccc(O)c(CN[C@H]2C[C@H]3CCCCN3C2=O)c1 ZINC000835074706 649875868 /nfs/dbraw/zinc/87/58/68/649875868.db2.gz TVHQTVSKFXFARZ-HIFRSBDPSA-N 0 3 304.390 2.034 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)C[C@H]2CCCO2)N(C)C)cc1 ZINC000891246000 623789980 /nfs/dbraw/zinc/78/99/80/623789980.db2.gz LJXQCICJVJJGKR-SJORKVTESA-N 0 3 319.449 2.041 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)C[C@@H]2CCCO2)N(C)C)cc1 ZINC000891254973 623801046 /nfs/dbraw/zinc/80/10/46/623801046.db2.gz LJXQCICJVJJGKR-IRXDYDNUSA-N 0 3 319.449 2.041 20 10 DECDHN COc1ccc(N2CCC(Nc3nc(C)cc(N)n3)CC2)cc1 ZINC000892270112 624913996 /nfs/dbraw/zinc/91/39/96/624913996.db2.gz WPFQUCXZEQOCHU-UHFFFAOYSA-N 0 3 313.405 2.457 20 10 DECDHN COc1ccc(C[NH2+]Cc2cc(OC)c(O)c(OC)c2)c([O-])c1 ZINC000725850895 625136853 /nfs/dbraw/zinc/13/68/53/625136853.db2.gz DPTKODSMGNIUGK-UHFFFAOYSA-N 0 3 319.357 2.413 20 10 DECDHN COc1ccc(O)c([C@H](C)NCC(=O)NCc2cccs2)c1 ZINC000182405725 625257451 /nfs/dbraw/zinc/25/74/51/625257451.db2.gz PANFBMYJSIMOEA-NSHDSACASA-N 0 3 320.414 2.429 20 10 DECDHN CCN(CC)CC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000102382281 650069972 /nfs/dbraw/zinc/06/99/72/650069972.db2.gz YZNCHTNOZYBSLC-UHFFFAOYSA-N 0 3 319.449 2.122 20 10 DECDHN CCN1CCC[C@@H](NC/C=C/c2ccc(N(C)C)cc2)C1=O ZINC000922639326 636290066 /nfs/dbraw/zinc/29/00/66/636290066.db2.gz NNKSNVNNRVHGPL-QQOXCAACSA-N 0 3 301.434 2.366 20 10 DECDHN CCOc1cccc(CN2CCCc3c(cnn3C)C2)c1O ZINC000840955146 650394256 /nfs/dbraw/zinc/39/42/56/650394256.db2.gz SQUNCABGPAMGIB-UHFFFAOYSA-N 0 3 301.390 2.473 20 10 DECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F ZINC000895677836 638140161 /nfs/dbraw/zinc/14/01/61/638140161.db2.gz PKOFTZPIXPDHIG-SECBINFHSA-N 0 3 303.202 2.179 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@@H](CO)C[C@H]2CCCO2)c1[O-] ZINC000895750242 638179197 /nfs/dbraw/zinc/17/91/97/638179197.db2.gz YIYMKCQTKDTFGR-CHWSQXEVSA-N 0 3 315.797 2.074 20 10 DECDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000840976384 650399047 /nfs/dbraw/zinc/39/90/47/650399047.db2.gz VOCDKUVKEPFFRW-IEBWSBKVSA-N 0 3 313.397 2.234 20 10 DECDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000840976384 650399049 /nfs/dbraw/zinc/39/90/49/650399049.db2.gz VOCDKUVKEPFFRW-IEBWSBKVSA-N 0 3 313.397 2.234 20 10 DECDHN COc1cccc(O)c1CN1CC[C@@](CO)(C(F)(F)F)C1 ZINC000895843887 638221955 /nfs/dbraw/zinc/22/19/55/638221955.db2.gz JKFHWXSKDIMLEN-CYBMUJFWSA-N 0 3 305.296 2.148 20 10 DECDHN CCOC(=O)[C@@H]1[C@@H]2CCN(Cc3cc(OCC)ccc3O)C[C@@H]21 ZINC000896448288 638519027 /nfs/dbraw/zinc/51/90/27/638519027.db2.gz FWXMFFQATCZJTI-HLLBOEOZSA-N 0 3 319.401 2.422 20 10 DECDHN Cc1cccc([O-])c1C[NH+]1CCC([C@]2(C)COC(=O)N2)CC1 ZINC000896466209 638529630 /nfs/dbraw/zinc/52/96/30/638529630.db2.gz CILFOOQAOWYMKI-KRWDZBQOSA-N 0 3 304.390 2.411 20 10 DECDHN O=c1[nH]c2cccc(N3CCN(Cc4ccccc4O)CC3)c2[nH]1 ZINC000896749377 638664059 /nfs/dbraw/zinc/66/40/59/638664059.db2.gz QDSLWXLGHHYVST-UHFFFAOYSA-N 0 3 324.384 2.296 20 10 DECDHN Cc1ccc(C(=O)NCC(C)(C)[NH+]2CCCCC2)c([O-])c1O ZINC000751529741 639091114 /nfs/dbraw/zinc/09/11/14/639091114.db2.gz FBNGOGHSPYDUDV-UHFFFAOYSA-N 0 3 306.406 2.401 20 10 DECDHN CN(C)CCN(Cc1ccco1)C(=O)Nc1ccc(N)cc1 ZINC000841298625 650471436 /nfs/dbraw/zinc/47/14/36/650471436.db2.gz CGJDPJGXOIHXPP-UHFFFAOYSA-N 0 3 302.378 2.458 20 10 DECDHN COc1ccc(O)c([C@H](C)NC(=S)NC2CCN(C)CC2)c1 ZINC000728792826 639388052 /nfs/dbraw/zinc/38/80/52/639388052.db2.gz OIRMFQMPXUHBGT-NSHDSACASA-N 0 3 323.462 2.020 20 10 DECDHN CCN(CC)C(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000765335202 640767935 /nfs/dbraw/zinc/76/79/35/640767935.db2.gz STJXAUMTSOWNTP-OAHLLOKOSA-N 0 3 319.449 2.042 20 10 DECDHN C[C@H](NCc1ccc2c(c1)CCO2)c1ccc(-n2cnnn2)cc1 ZINC000765610668 640800699 /nfs/dbraw/zinc/80/06/99/640800699.db2.gz WUWFRVYYTVUMIR-ZDUSSCGKSA-N 0 3 321.384 2.448 20 10 DECDHN COc1cccc([O-])c1C[NH+]1CCC(N2CCCOC2=O)CC1 ZINC000897592321 640832644 /nfs/dbraw/zinc/83/26/44/640832644.db2.gz UNNKTVJAQBPCLB-UHFFFAOYSA-N 0 3 320.389 2.208 20 10 DECDHN COc1cccc([O-])c1C[NH2+]CCOCC(F)(F)C(F)F ZINC000766225448 640861011 /nfs/dbraw/zinc/86/10/11/640861011.db2.gz QGTDLBYUBPULEI-UHFFFAOYSA-N 0 3 311.275 2.407 20 10 DECDHN Cc1cc(Br)cc(CN2C[C@@H](C)[C@@H](O)C2)c1O ZINC000897679987 640900674 /nfs/dbraw/zinc/90/06/74/640900674.db2.gz DOFYAVZJRIXLTP-SKDRFNHKSA-N 0 3 300.196 2.276 20 10 DECDHN Cc1cc(Br)cc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)c1[O-] ZINC000897679987 640900679 /nfs/dbraw/zinc/90/06/79/640900679.db2.gz DOFYAVZJRIXLTP-SKDRFNHKSA-N 0 3 300.196 2.276 20 10 DECDHN Cc1cc(Br)cc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c1[O-] ZINC000897679987 640900681 /nfs/dbraw/zinc/90/06/81/640900681.db2.gz DOFYAVZJRIXLTP-SKDRFNHKSA-N 0 3 300.196 2.276 20 10 DECDHN O=C(NCc1ccccc1O)NC[C@H]1NCCc2ccccc21 ZINC000841992803 650621990 /nfs/dbraw/zinc/62/19/90/650621990.db2.gz YBDVYSWUNMFGSG-MRXNPFEDSA-N 0 3 311.385 2.078 20 10 DECDHN Cn1cc([C@@]2(C[NH2+]Cc3cc(F)ccc3[O-])CCCO2)cn1 ZINC000898056867 641011464 /nfs/dbraw/zinc/01/14/64/641011464.db2.gz PIYGBIMUIBDYFU-INIZCTEOSA-N 0 3 305.353 2.060 20 10 DECDHN CCOc1cccc(CN2CCN(C[C@H]3CCCO3)CC2)c1O ZINC000768193256 641058037 /nfs/dbraw/zinc/05/80/37/641058037.db2.gz YYWGAFUNSLSTMG-MRXNPFEDSA-N 0 3 320.433 2.088 20 10 DECDHN CC(C)CO[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768464126 641084490 /nfs/dbraw/zinc/08/44/90/641084490.db2.gz NMXFUGDQHCHVQS-CZUORRHYSA-N 0 3 307.390 2.065 20 10 DECDHN CC(C)CO[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768464126 641084494 /nfs/dbraw/zinc/08/44/94/641084494.db2.gz NMXFUGDQHCHVQS-CZUORRHYSA-N 0 3 307.390 2.065 20 10 DECDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000769409026 641234579 /nfs/dbraw/zinc/23/45/79/641234579.db2.gz AKPUJHDADFVREB-CYBMUJFWSA-N 0 3 307.390 2.219 20 10 DECDHN C[C@@H]1C[C@@H](NCCF)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000989838077 641246609 /nfs/dbraw/zinc/24/66/09/641246609.db2.gz JNYCHDVOOGNUOS-ZWNOBZJWSA-N 0 3 321.356 2.011 20 10 DECDHN C[C@H]1C[C@@H](NCCF)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000989838075 641246726 /nfs/dbraw/zinc/24/67/26/641246726.db2.gz JNYCHDVOOGNUOS-GXFFZTMASA-N 0 3 321.356 2.011 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](CNC(C)=O)C2)c([O-])c1 ZINC000771938239 641574880 /nfs/dbraw/zinc/57/48/80/641574880.db2.gz HYNAPZRUMQGRIJ-AWEZNQCLSA-N 0 3 306.406 2.139 20 10 DECDHN CCOc1ccc(C[N@H+]2CCC[C@@H](CNC(C)=O)C2)c([O-])c1 ZINC000771938239 641574882 /nfs/dbraw/zinc/57/48/82/641574882.db2.gz HYNAPZRUMQGRIJ-AWEZNQCLSA-N 0 3 306.406 2.139 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)N(C)CCCF)N(C)C)cc1 ZINC000899097693 641931150 /nfs/dbraw/zinc/93/11/50/641931150.db2.gz FKBQBUICPOYRIS-INIZCTEOSA-N 0 3 324.444 2.356 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@H](F)C2)N(C)C)cc1 ZINC000899099117 641940216 /nfs/dbraw/zinc/94/02/16/641940216.db2.gz VQMLJHPHRLWGEF-GOEBONIOSA-N 0 3 322.428 2.109 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)N(C)CC2CC2)N(C)C)cc1 ZINC000899100633 641942022 /nfs/dbraw/zinc/94/20/22/641942022.db2.gz BLSJYHPXSURPQY-KRWDZBQOSA-N 0 3 318.465 2.407 20 10 DECDHN Cc1cc(Br)cc(C[NH2+]CC2(O)CCC2)c1[O-] ZINC000776174751 642138970 /nfs/dbraw/zinc/13/89/70/642138970.db2.gz FXNKRHONQWPFCC-UHFFFAOYSA-N 0 3 300.196 2.468 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](OCC3CC3)C1)[C@H](O)CO2 ZINC000777554800 642280437 /nfs/dbraw/zinc/28/04/37/642280437.db2.gz JBSGIIOYDISLBF-WMLDXEAASA-N 0 3 319.401 2.209 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](OCC3CC3)C1)[C@H](O)CO2 ZINC000777554800 642280440 /nfs/dbraw/zinc/28/04/40/642280440.db2.gz JBSGIIOYDISLBF-WMLDXEAASA-N 0 3 319.401 2.209 20 10 DECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000779192143 642470592 /nfs/dbraw/zinc/47/05/92/642470592.db2.gz GGZPOZHIZYIQGG-LJQANCHMSA-N 0 3 324.380 2.497 20 10 DECDHN COc1cccc([O-])c1C[N@H+]1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000779192143 642470594 /nfs/dbraw/zinc/47/05/94/642470594.db2.gz GGZPOZHIZYIQGG-LJQANCHMSA-N 0 3 324.380 2.497 20 10 DECDHN COc1cc(CN2CCCN(C(=O)C3CC3)CC2)c(O)cc1C ZINC000780473134 642629742 /nfs/dbraw/zinc/62/97/42/642629742.db2.gz YWMNMWPGCGZZFF-UHFFFAOYSA-N 0 3 318.417 2.154 20 10 DECDHN Oc1cc2c(cc1CN1CCC[C@@H](OC(F)F)C1)[C@@H](O)CO2 ZINC000781150517 642719635 /nfs/dbraw/zinc/71/96/35/642719635.db2.gz DWFMSEJKTDMQDL-MFKMUULPSA-N 0 3 315.316 2.022 20 10 DECDHN C[C@H]1CC2(C[N@@H+]1Cc1cc3c(cc1[O-])OC[C@H]3O)CCOCC2 ZINC000842637740 650791729 /nfs/dbraw/zinc/79/17/29/650791729.db2.gz DQTPEABOKGXTLB-BLLLJJGKSA-N 0 3 319.401 2.209 20 10 DECDHN C[C@H]1CC2(C[N@H+]1Cc1cc3c(cc1[O-])OC[C@H]3O)CCOCC2 ZINC000842637740 650791731 /nfs/dbraw/zinc/79/17/31/650791731.db2.gz DQTPEABOKGXTLB-BLLLJJGKSA-N 0 3 319.401 2.209 20 10 DECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCCON)c1[O-] ZINC000902426391 643035121 /nfs/dbraw/zinc/03/51/21/643035121.db2.gz SBEFKXONAKUJOX-SECBINFHSA-N 0 3 303.200 2.394 20 10 DECDHN C[C@H]([NH2+]Cc1ccccc1[O-])[C@H](O)c1ccc2c(c1)OCO2 ZINC000785582416 643251524 /nfs/dbraw/zinc/25/15/24/643251524.db2.gz ZTBRZQXFGQLTCT-GTNSWQLSSA-N 0 3 301.342 2.333 20 10 DECDHN [O-]c1c(Cl)cccc1CN[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903971324 643530838 /nfs/dbraw/zinc/53/08/38/643530838.db2.gz AEXAVHODCYUBKU-CYBMUJFWSA-N 0 3 310.825 2.294 20 10 DECDHN [O-]c1ccc(Br)cc1CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904421157 643669328 /nfs/dbraw/zinc/66/93/28/643669328.db2.gz QLUMTHPGOJXNAE-CMPLNLGQSA-N 0 3 311.223 2.196 20 10 DECDHN CC[C@@H]1CN(Cc2cc(OC)c(C)cc2O)C[C@]2(CCOC2)O1 ZINC000794693709 644461681 /nfs/dbraw/zinc/46/16/81/644461681.db2.gz KIHOYQAFPZXMMG-QAPCUYQASA-N 0 3 321.417 2.479 20 10 DECDHN CCCN(Cc1nc(C(C)(C)N)no1)Cc1ccccc1O ZINC000843358209 650956305 /nfs/dbraw/zinc/95/63/05/650956305.db2.gz DBZGNCWOXPWGPW-UHFFFAOYSA-N 0 3 304.394 2.381 20 10 DECDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](N)CC(F)F ZINC000843484929 650982835 /nfs/dbraw/zinc/98/28/35/650982835.db2.gz FNXBGEHTPZTJGL-CQSZACIVSA-N 0 3 313.392 2.472 20 10 DECDHN COc1cc(CN2CCC[C@@H](OC(=O)N(C)C)C2)c(O)cc1C ZINC000840108672 645975176 /nfs/dbraw/zinc/97/51/76/645975176.db2.gz WANQRQBSFYEHBB-CQSZACIVSA-N 0 3 322.405 2.372 20 10 DECDHN CCOc1ccc(C[NH2+]C[C@@H](O)Cc2ccccc2)c([O-])c1 ZINC000808422350 646082948 /nfs/dbraw/zinc/08/29/48/646082948.db2.gz JDZCRKZBPOGBBH-INIZCTEOSA-N 0 3 301.386 2.484 20 10 DECDHN COc1ccc(C[NH2+]Cc2c3c(nn2C)CCCC3)c([O-])c1 ZINC000812773669 646693454 /nfs/dbraw/zinc/69/34/54/646693454.db2.gz LRDXOBSXYJRGLH-UHFFFAOYSA-N 0 3 301.390 2.303 20 10 DECDHN COc1cccc(CNCc2cnnn2-c2ccccc2)c1O ZINC000814298672 646870899 /nfs/dbraw/zinc/87/08/99/646870899.db2.gz ZTGIADODSMWTKW-UHFFFAOYSA-N 0 3 310.357 2.271 20 10 DECDHN COc1ccc(C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)c([O-])c1 ZINC000816597282 647156917 /nfs/dbraw/zinc/15/69/17/647156917.db2.gz MCOCSAIDXGDNBL-UHFFFAOYSA-N 0 3 314.341 2.022 20 10 DECDHN CS(=O)(=O)C[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816616762 647159825 /nfs/dbraw/zinc/15/98/25/647159825.db2.gz FWGFWSGZDLGOPF-CYBMUJFWSA-N 0 3 319.426 2.412 20 10 DECDHN CS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816616762 647159827 /nfs/dbraw/zinc/15/98/27/647159827.db2.gz FWGFWSGZDLGOPF-CYBMUJFWSA-N 0 3 319.426 2.412 20 10 DECDHN CCN1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C ZINC000994496208 647970794 /nfs/dbraw/zinc/97/07/94/647970794.db2.gz OVGLSVNMHDMOMF-SMDDNHRTSA-N 0 3 317.393 2.452 20 10 DECDHN [O-]c1ccccc1C[N@H+](CCO[C@@H]1CCOC1)C[C@@H]1CCCO1 ZINC000929973107 647992295 /nfs/dbraw/zinc/99/22/95/647992295.db2.gz WFTGUOMFIFTYFG-DLBZAZTESA-N 0 3 321.417 2.179 20 10 DECDHN [O-]c1ccccc1C[N@@H+](CCO[C@@H]1CCOC1)C[C@@H]1CCCO1 ZINC000929973107 647992297 /nfs/dbraw/zinc/99/22/97/647992297.db2.gz WFTGUOMFIFTYFG-DLBZAZTESA-N 0 3 321.417 2.179 20 10 DECDHN CCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CCN(CC)C1 ZINC000824448054 648589713 /nfs/dbraw/zinc/58/97/13/648589713.db2.gz XPSOWRKEMVFXCD-AWEZNQCLSA-N 0 3 317.393 2.405 20 10 DECDHN C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@H](C)[C@H]1O ZINC000827151835 648982714 /nfs/dbraw/zinc/98/27/14/648982714.db2.gz KPWFFCRAVPMXPW-UOIKSKOESA-N 0 3 322.424 2.111 20 10 DECDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000827164756 648984754 /nfs/dbraw/zinc/98/47/54/648984754.db2.gz MMIMEBHTVSBTHD-UKRRQHHQSA-N 0 3 310.463 2.116 20 10 DECDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@H](C)S(=O)(=O)C2)c1[O-] ZINC000827173290 648986580 /nfs/dbraw/zinc/98/65/80/648986580.db2.gz WEYVXRKNDQUYBM-GXFFZTMASA-N 0 3 317.838 2.409 20 10 DECDHN COc1ccc(N(C)CCN(C)C(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC000846441989 651330865 /nfs/dbraw/zinc/33/08/65/651330865.db2.gz HVMKJKKOIDVDJF-QGZVFWFLSA-N 0 3 321.465 2.176 20 10 DECDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)CO)c1[O-] ZINC000848529187 651467881 /nfs/dbraw/zinc/46/78/81/651467881.db2.gz LFGDYHCWBSHLDX-JGVFFNPUSA-N 0 3 304.184 2.195 20 10 DECDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c(nnn3C)C2)c2c1c(F)ccc2[O-] ZINC000848562273 651470951 /nfs/dbraw/zinc/47/09/51/651470951.db2.gz BXNWRVAOIRYLGG-GIPNMCIBSA-N 0 3 316.380 2.355 20 10 DECDHN COc1cccc([O-])c1C[NH+]1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000848918915 651561389 /nfs/dbraw/zinc/56/13/89/651561389.db2.gz OIIUYCYEKGHRFB-MRXNPFEDSA-N 0 3 318.417 2.137 20 10 DECDHN CCOc1ccc(C[NH2+][C@@H](COC)C2CCOCC2)c([O-])c1 ZINC000850351194 651908293 /nfs/dbraw/zinc/90/82/93/651908293.db2.gz KQQCNWUJMBCRGQ-INIZCTEOSA-N 0 3 309.406 2.322 20 10 DECDHN COC[C@@H](C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)OC ZINC000851841858 652255963 /nfs/dbraw/zinc/25/59/63/652255963.db2.gz YNHYPHVZYFHDOE-JKSUJKDBSA-N 0 3 309.406 2.035 20 10 DECDHN COC[C@@H](C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)OC ZINC000851841858 652255972 /nfs/dbraw/zinc/25/59/72/652255972.db2.gz YNHYPHVZYFHDOE-JKSUJKDBSA-N 0 3 309.406 2.035 20 10 DECDHN COC(=O)NC1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000852765649 652452874 /nfs/dbraw/zinc/45/28/74/652452874.db2.gz UDKLUAIUMILCMN-UHFFFAOYSA-N 0 3 305.422 2.381 20 10 DECDHN CC[C@H](C(=O)NC1CCN(c2ccc(OC)cc2)CC1)N(C)C ZINC000125076425 684141763 /nfs/dbraw/zinc/14/17/63/684141763.db2.gz YIDHSKUKWJBCRW-QGZVFWFLSA-N 0 3 319.449 2.120 20 10 DECDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](N)CCSC ZINC000131007284 684195348 /nfs/dbraw/zinc/19/53/48/684195348.db2.gz MGTDVNDCJYLBAQ-OAHLLOKOSA-N 0 3 309.479 2.182 20 10 DECDHN COC(=O)/C=C(/C)CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000929186229 693912808 /nfs/dbraw/zinc/91/28/08/693912808.db2.gz ZORVDJATRWKURE-QINSGFPZSA-N 0 3 318.417 2.074 20 10 DECDHN COc1ccc(O)c([C@H](C)NCC(=O)NCc2ccccc2)c1 ZINC000193807497 685049861 /nfs/dbraw/zinc/04/98/61/685049861.db2.gz DNXVAJVYJIKWCL-ZDUSSCGKSA-N 0 3 314.385 2.368 20 10 DECDHN C[C@@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000194540661 685069042 /nfs/dbraw/zinc/06/90/42/685069042.db2.gz WNSRQXADLFJRKB-OAHLLOKOSA-N 0 3 303.450 2.491 20 10 DECDHN CCO[C@@H]1C[C@](N)(C(=O)N[C@@H](C)c2ccccc2O)C1(C)C ZINC000870988722 688704583 /nfs/dbraw/zinc/70/45/83/688704583.db2.gz XUJGFGZDDDFKJU-KHIZAZIESA-N 0 3 306.406 2.102 20 10 DECDHN Cc1cccc(O)c1CNCc1cccc(N2CCOCC2)n1 ZINC000877422943 690107800 /nfs/dbraw/zinc/10/78/00/690107800.db2.gz WXMNAHVXLGVIAW-UHFFFAOYSA-N 0 3 313.401 2.222 20 10 DECDHN Cc1ccc(C[NH+]2CCC([C@H]3NC(=O)C3(C)C)CC2)c([O-])c1 ZINC000877617450 690169349 /nfs/dbraw/zinc/16/93/49/690169349.db2.gz WNUBGQKFZRRXQM-MRXNPFEDSA-N 0 3 302.418 2.437 20 10 DECDHN Cc1cccc(CNC[C@@H](n2cncn2)C(F)(F)F)c1O ZINC000877676167 690187186 /nfs/dbraw/zinc/18/71/86/690187186.db2.gz YBFJSMXDCHSLLJ-LLVKDONJSA-N 0 3 300.284 2.185 20 10 DECDHN COc1ccc(N2CCN(C[C@H]3CCCOC3)CC2)c(OC)c1 ZINC000877708144 690198816 /nfs/dbraw/zinc/19/88/16/690198816.db2.gz BIQVZVLEJAHRFB-OAHLLOKOSA-N 0 3 320.433 2.252 20 10 DECDHN CCN(C)c1ccc(CN2CCC[C@@H]3CCNC(=O)[C@@H]32)cc1 ZINC000880523503 690917992 /nfs/dbraw/zinc/91/79/92/690917992.db2.gz IIFHTQXQQAOUAK-NVXWUHKLSA-N 0 3 301.434 2.243 20 10 DECDHN C[C@H]([NH2+]CC(=O)N1C[C@H](C)OC(C)(C)C1)c1ccccc1[O-] ZINC000931553873 694427686 /nfs/dbraw/zinc/42/76/86/694427686.db2.gz IGVRYGFRCWYHDT-STQMWFEESA-N 0 3 306.406 2.069 20 10 DECDHN COc1ccc(N2CC[C@@H](N[C@H]3CCC3(OC)OC)C2)cc1 ZINC000926681238 693491967 /nfs/dbraw/zinc/49/19/67/693491967.db2.gz XBVAWZAMQVVKRA-CJNGLKHVSA-N 0 3 306.406 2.015 20 10 DECDHN C[C@H]1CN(C(=O)c2cccc(O)c2O)CCN1C1CCCC1 ZINC001349384595 1151245436 /nfs/dbraw/zinc/24/54/36/1151245436.db2.gz SQCMIQHMCUSHDK-LBPRGKRZSA-N 0 3 304.390 2.187 20 10 DECDHN CCN1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[C@@H]1C ZINC001072103201 790053735 /nfs/dbraw/zinc/05/37/35/790053735.db2.gz VIBFMKUMSCGWOQ-SMDDNHRTSA-N 0 3 317.393 2.452 20 10 DECDHN Cn1ncc(Br)c1CNCCc1ccc(N)cc1 ZINC000693421326 794502581 /nfs/dbraw/zinc/50/25/81/794502581.db2.gz WWWYXWUMTCFYSP-UHFFFAOYSA-N 0 3 309.211 2.097 20 10 DECDHN O=C1CCCN1[C@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001116770980 794985412 /nfs/dbraw/zinc/98/54/12/794985412.db2.gz MLDUPAGAXNEHMW-SFHVURJKSA-N 0 3 313.445 2.484 20 10 DECDHN C[C@H]([NH2+]C1CCC2(CS(=O)(=O)C2)CC1)c1ccccc1[O-] ZINC001183364166 795856258 /nfs/dbraw/zinc/85/62/58/795856258.db2.gz XJFCRXDXSSBMNC-LBPRGKRZSA-N 0 3 309.431 2.400 20 10 DECDHN CN1CCCc2cc(CN3CCC[C@@H](n4ccnn4)C3)ccc21 ZINC001138359007 796205585 /nfs/dbraw/zinc/20/55/85/796205585.db2.gz HEDAEMIJOJYRBW-QGZVFWFLSA-N 0 3 311.433 2.498 20 10 DECDHN COc1cc(CN2CCC(=O)[C@@H](C)CC2)cc(CN(C)C)c1O ZINC001139255745 796350252 /nfs/dbraw/zinc/35/02/52/796350252.db2.gz RVVZWKIALHAVEE-ZDUSSCGKSA-N 0 3 320.433 2.263 20 10 DECDHN C[C@H]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)CCC1=O ZINC001139408805 796371886 /nfs/dbraw/zinc/37/18/86/796371886.db2.gz RJEDOBMPDVKWMJ-INIZCTEOSA-N 0 3 315.461 2.239 20 10 DECDHN CCC1=NC2(CC[NH+](Cc3ccc(C)cc3[O-])CC2)C(=O)N1C ZINC001140953598 796606278 /nfs/dbraw/zinc/60/62/78/796606278.db2.gz DAMJSMYXRFVRLC-UHFFFAOYSA-N 0 3 315.417 2.316 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CC(C)(C)C[C@@]2(C)CO)c(OC)c1 ZINC001141031324 796621580 /nfs/dbraw/zinc/62/15/80/796621580.db2.gz DBEGFKKVLQRMBL-KRWDZBQOSA-N 0 3 309.406 2.392 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CC(C)(C)C[C@@]2(C)CO)c(OC)c1 ZINC001141031324 796621585 /nfs/dbraw/zinc/62/15/85/796621585.db2.gz DBEGFKKVLQRMBL-KRWDZBQOSA-N 0 3 309.406 2.392 20 10 DECDHN Cc1cncnc1OC1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141162891 796643296 /nfs/dbraw/zinc/64/32/96/796643296.db2.gz JNROWCCIYRSNKT-UHFFFAOYSA-N 0 3 315.373 2.240 20 10 DECDHN CCN(C)c1ncnc2c1CC[N@H+](Cc1ccccc1[O-])CC2 ZINC001203551473 800076563 /nfs/dbraw/zinc/07/65/63/800076563.db2.gz FIJHNLZPRPXGSI-UHFFFAOYSA-N 0 3 312.417 2.239 20 10 DECDHN CCN(C)c1ncnc2c1CC[N@@H+](Cc1ccccc1[O-])CC2 ZINC001203551473 800076570 /nfs/dbraw/zinc/07/65/70/800076570.db2.gz FIJHNLZPRPXGSI-UHFFFAOYSA-N 0 3 312.417 2.239 20 10 DECDHN COc1ccnc(O[C@H]2CCC[N@H+](Cc3ccccc3[O-])C2)n1 ZINC001203562019 800081312 /nfs/dbraw/zinc/08/13/12/800081312.db2.gz BCPNCUSZXIYCSQ-AWEZNQCLSA-N 0 3 315.373 2.234 20 10 DECDHN COc1ccnc(O[C@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)n1 ZINC001203562019 800081321 /nfs/dbraw/zinc/08/13/21/800081321.db2.gz BCPNCUSZXIYCSQ-AWEZNQCLSA-N 0 3 315.373 2.234 20 10 DECDHN CN(C)c1ccc(CN2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)cc1 ZINC001203932771 800147723 /nfs/dbraw/zinc/14/77/23/800147723.db2.gz CCFMDTIKHWQXDD-IPMKNSEASA-N 0 3 316.445 2.378 20 10 DECDHN CC(C)C(=O)N(C)C1CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204278123 800199057 /nfs/dbraw/zinc/19/90/57/800199057.db2.gz URYKVSYYDNSLHV-UHFFFAOYSA-N 0 3 306.406 2.177 20 10 DECDHN COC(=O)[C@@H]1CN(Cc2ccc(O)cc2O)Cc2ccccc21 ZINC001204277852 800199239 /nfs/dbraw/zinc/19/92/39/800199239.db2.gz MJBKRIMVVYAFED-MRXNPFEDSA-N 0 3 313.353 2.370 20 10 DECDHN CC1(C(=O)N2CCCC2)CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204278563 800200844 /nfs/dbraw/zinc/20/08/44/800200844.db2.gz FSZYKHBLSUOZRI-UHFFFAOYSA-N 0 3 318.417 2.322 20 10 DECDHN COc1cccc(CNCc2ccccc2C(=O)N(C)C)c1O ZINC001205679019 800399576 /nfs/dbraw/zinc/39/95/76/800399576.db2.gz YZWWTGPXJZNFPU-UHFFFAOYSA-N 0 3 314.385 2.392 20 10 DECDHN CC(C)(C)c1cc([O-])c(CN2CC[C@@H](O)[C@H]([NH3+])C2)cc1Cl ZINC001206110396 800475131 /nfs/dbraw/zinc/47/51/31/800475131.db2.gz WUYJBSITVIWFAT-ZIAGYGMSSA-N 0 3 312.841 2.237 20 10 DECDHN COc1cc(CN(CCO)Cc2cccs2)c(O)cc1O ZINC001231636721 801700002 /nfs/dbraw/zinc/70/00/02/801700002.db2.gz UTKMSBIYFUNEPK-UHFFFAOYSA-N 0 3 309.387 2.162 20 10 DECDHN COC(=O)[C@@H]1COCCC12CN(Cc1c(C)cc(C)cc1O)C2 ZINC001231849077 801736650 /nfs/dbraw/zinc/73/66/50/801736650.db2.gz MGBAGERVXDRHMS-HNNXBMFYSA-N 0 3 319.401 2.021 20 10 DECDHN CN1CCO[C@H]2CN(Cc3cc(C(C)(C)C)ccc3O)C[C@H]21 ZINC001233284617 802064330 /nfs/dbraw/zinc/06/43/30/802064330.db2.gz BFHVGRWZWHEBJU-WBVHZDCISA-N 0 3 304.434 2.205 20 10 DECDHN Oc1cc(O)c(CN2CCC[C@@](O)(C(F)(F)F)CC2)cc1O ZINC001233482936 802127778 /nfs/dbraw/zinc/12/77/78/802127778.db2.gz HZKQKJSYTOFAOE-ZDUSSCGKSA-N 0 3 321.295 2.083 20 10 DECDHN C[C@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC[C@H]1O ZINC001233726750 802190492 /nfs/dbraw/zinc/19/04/92/802190492.db2.gz HAWYEKKWOCQSKO-GXSJLCMTSA-N 0 3 305.296 2.494 20 10 DECDHN C[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC[C@H]1O ZINC001233726750 802190497 /nfs/dbraw/zinc/19/04/97/802190497.db2.gz HAWYEKKWOCQSKO-GXSJLCMTSA-N 0 3 305.296 2.494 20 10 DECDHN COc1ccc2ccc(O)c(CN3CC[C@](F)(CO)C3)c2c1 ZINC001234525202 802401178 /nfs/dbraw/zinc/40/11/78/802401178.db2.gz CLTXWAIVRHKWHS-QGZVFWFLSA-N 0 3 305.349 2.460 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@](F)(CO)C3)c2c1 ZINC001234525202 802401181 /nfs/dbraw/zinc/40/11/81/802401181.db2.gz CLTXWAIVRHKWHS-QGZVFWFLSA-N 0 3 305.349 2.460 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@](F)(CO)C3)c2c1 ZINC001234525202 802401187 /nfs/dbraw/zinc/40/11/87/802401187.db2.gz CLTXWAIVRHKWHS-QGZVFWFLSA-N 0 3 305.349 2.460 20 10 DECDHN COc1ccc2ccc([O-])c(C[NH+]3CC(C(=O)N(C)C)C3)c2c1 ZINC001234552834 802412316 /nfs/dbraw/zinc/41/23/16/802412316.db2.gz KDCFCANQVLOJSO-UHFFFAOYSA-N 0 3 314.385 2.074 20 10 DECDHN CCC(C)(C)C(=O)NC[C@@H](CO)NCc1ccc(OC)c(C)c1 ZINC001331775302 1149668333 /nfs/dbraw/zinc/66/83/33/1149668333.db2.gz QXBSYLTXHUEGNG-HNNXBMFYSA-N 0 3 322.449 2.007 20 10 DECDHN C[C@@H](NCc1ccc(N2CCCC2)cc1)C1(S(C)(=O)=O)CC1 ZINC001345411090 1150888425 /nfs/dbraw/zinc/88/84/25/1150888425.db2.gz JJWZBJRPKNPVEO-CQSZACIVSA-N 0 3 322.474 2.342 20 10 DECDHN C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(C(=O)[O-])ccc1[O-] ZINC001604340681 1070337626 /nfs/dbraw/zinc/33/76/26/1070337626.db2.gz FBLBLHGRWHRDEC-MHDGFBEUSA-N 0 3 304.390 2.272 20 10 DECDHN CCOC(=O)[C@@H](C)C1CN(Cc2c(C)cc(OC)cc2O)C1 ZINC001474697932 1060919938 /nfs/dbraw/zinc/91/99/38/1060919938.db2.gz FVJKLCUCKOAHAT-LBPRGKRZSA-N 0 3 307.390 2.340 20 10 DECDHN C[C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CN1C1CC1 ZINC001631593726 1078368105 /nfs/dbraw/zinc/36/81/05/1078368105.db2.gz RBQSJPVMEMZSTH-GWCFXTLKSA-N 0 3 315.377 2.204 20 10 DECDHN Oc1cc(O)c(CN2CC3(CCN3C3CCCC3)C2)cc1O ZINC001276516637 1083477973 /nfs/dbraw/zinc/47/79/73/1083477973.db2.gz KUXFANHVKNFBJR-UHFFFAOYSA-N 0 3 304.390 2.006 20 10 DECDHN O=C([C@@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2)N1CC=CC1 ZINC001277445379 1083973813 /nfs/dbraw/zinc/97/38/13/1083973813.db2.gz DOVVAASWRHDFLF-INIZCTEOSA-N 0 3 312.413 2.393 20 10 DECDHN Cc1ccc(CN2CC3(C[C@@H]3C(=O)NC(C)(C)C)C2)c(O)c1 ZINC001277567396 1084040279 /nfs/dbraw/zinc/04/02/79/1084040279.db2.gz GJQFFJXOEDJJFU-CQSZACIVSA-N 0 3 302.418 2.437 20 10 DECDHN C=CC(=O)OC[C@H](C)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234657946 1084190841 /nfs/dbraw/zinc/19/08/41/1084190841.db2.gz NQZXKENIBPYOSU-HNNXBMFYSA-N 0 3 318.417 2.325 20 10 DECDHN CCc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3C)C2)c([O-])c1 ZINC001236786343 1138427158 /nfs/dbraw/zinc/42/71/58/1138427158.db2.gz AROHXSKEQWYSBQ-ZBFHGGJFSA-N 0 3 302.418 2.397 20 10 DECDHN CCc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3C)C2)c([O-])c1 ZINC001236786343 1138427165 /nfs/dbraw/zinc/42/71/65/1138427165.db2.gz AROHXSKEQWYSBQ-ZBFHGGJFSA-N 0 3 302.418 2.397 20 10 DECDHN COc1cc([O-])c(CN2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c(Cl)c1 ZINC001236807799 1138435932 /nfs/dbraw/zinc/43/59/32/1138435932.db2.gz JRSPHOIXOYFXCH-BDJLRTHQSA-N 0 3 310.825 2.438 20 10 DECDHN COC(=O)CO[C@H]1CC[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236835980 1138441619 /nfs/dbraw/zinc/44/16/19/1138441619.db2.gz VVSTTWYZNHJPTA-INIZCTEOSA-N 0 3 315.369 2.309 20 10 DECDHN COC(=O)CO[C@H]1CC[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236835980 1138441622 /nfs/dbraw/zinc/44/16/22/1138441622.db2.gz VVSTTWYZNHJPTA-INIZCTEOSA-N 0 3 315.369 2.309 20 10 DECDHN CCOc1ccc(C[NH+]2CCC(N3CCOCC3)CC2)c([O-])c1 ZINC001237044724 1138487172 /nfs/dbraw/zinc/48/71/72/1138487172.db2.gz MZDSTWZGYQFKFB-UHFFFAOYSA-N 0 3 320.433 2.088 20 10 DECDHN CC(C)c1ccc(C[NH+]2CCC3(CNC(=O)N3)CC2)c([O-])c1 ZINC001237054527 1138491525 /nfs/dbraw/zinc/49/15/25/1138491525.db2.gz BUWYCOVKXSLNBF-UHFFFAOYSA-N 0 3 303.406 2.163 20 10 DECDHN CCN(Cc1ccc(OCC(F)(F)F)cc1O)C1CN(C)C1 ZINC001237059130 1138492682 /nfs/dbraw/zinc/49/26/82/1138492682.db2.gz DUSSNIXSUDFLBH-UHFFFAOYSA-N 0 3 318.339 2.469 20 10 DECDHN CCCCN(C)Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237203078 1138531155 /nfs/dbraw/zinc/53/11/55/1138531155.db2.gz PLYWUBDRVKSSEI-UHFFFAOYSA-N 0 3 310.463 2.153 20 10 DECDHN COc1cc(CN2CC[C@H]3CCCO[C@@H]3C2)c(O)c(OC)c1 ZINC001237670548 1138746711 /nfs/dbraw/zinc/74/67/11/1138746711.db2.gz SULPOZRFJKOULP-MLGOLLRUSA-N 0 3 307.390 2.410 20 10 DECDHN Cc1ccc(C)n1-c1ccc(-c2noc(CC3(O)CNC3)n2)cc1 ZINC001247792620 1141516822 /nfs/dbraw/zinc/51/68/22/1141516822.db2.gz UFNLTOWJAQKDDA-UHFFFAOYSA-N 0 3 324.384 2.021 20 10 DECDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c([O-])c1 ZINC001249171491 1141856677 /nfs/dbraw/zinc/85/66/77/1141856677.db2.gz CMGONZLMXHFXFM-NVXWUHKLSA-N 0 3 319.401 2.109 20 10 DECDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c([O-])c1 ZINC001249171491 1141856680 /nfs/dbraw/zinc/85/66/80/1141856680.db2.gz CMGONZLMXHFXFM-NVXWUHKLSA-N 0 3 319.401 2.109 20 10 DECDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](OC(C)C)C2)c([O-])c1 ZINC001249215104 1141859683 /nfs/dbraw/zinc/85/96/83/1141859683.db2.gz VZYILSCSWVATOA-HNNXBMFYSA-N 0 3 307.390 2.107 20 10 DECDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H](OC(C)C)C2)c([O-])c1 ZINC001249215104 1141859684 /nfs/dbraw/zinc/85/96/84/1141859684.db2.gz VZYILSCSWVATOA-HNNXBMFYSA-N 0 3 307.390 2.107 20 10 DECDHN CC(C)(O)CN1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001252356902 1142692295 /nfs/dbraw/zinc/69/22/95/1142692295.db2.gz MXOWTDNLPHUBBG-UHFFFAOYSA-N 0 3 318.339 2.478 20 10 DECDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)C(=O)NCC(F)(F)F ZINC001326624170 1148168003 /nfs/dbraw/zinc/16/80/03/1148168003.db2.gz YMQWRFLPZLYJRT-WPRPVWTQSA-N 0 3 302.296 2.036 20 10 DECDHN Cc1cccc(C[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)c1[O-] ZINC000294688298 224168834 /nfs/dbraw/zinc/16/88/34/224168834.db2.gz BPHSNSARLDSSJP-AWEZNQCLSA-N 0 3 324.421 2.018 20 10 DECDHN Cc1cccc(C[N@@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)c1[O-] ZINC000294688298 224168837 /nfs/dbraw/zinc/16/88/37/224168837.db2.gz BPHSNSARLDSSJP-AWEZNQCLSA-N 0 3 324.421 2.018 20 10 DECDHN Cc1cccc(CN(C)C[C@@H](O)CNC(=O)OC(C)(C)C)c1O ZINC000294688298 224168840 /nfs/dbraw/zinc/16/88/40/224168840.db2.gz BPHSNSARLDSSJP-AWEZNQCLSA-N 0 3 324.421 2.018 20 10 DECDHN COC[C@]1(C(=O)OC)CC[N@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000295018324 533216906 /nfs/dbraw/zinc/21/69/06/533216906.db2.gz KIAADBMRQJGDTH-KRWDZBQOSA-N 0 3 307.390 2.021 20 10 DECDHN COC[C@]1(C(=O)OC)CC[N@@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000295018324 533216911 /nfs/dbraw/zinc/21/69/11/533216911.db2.gz KIAADBMRQJGDTH-KRWDZBQOSA-N 0 3 307.390 2.021 20 10 DECDHN [O-]c1cccc2c1[C@@H]([NH2+]C1CCN(C[C@@H]3CCOC3)CC1)CC2 ZINC000297598600 285396752 /nfs/dbraw/zinc/39/67/52/285396752.db2.gz HXPPSEVVMJBXFQ-YOEHRIQHSA-N 0 3 316.445 2.470 20 10 DECDHN C[C@H](N[C@@H](CO)c1cnn(C)c1)c1cc2c(cc1O)CCCC2 ZINC000273452783 130124110 /nfs/dbraw/zinc/12/41/10/130124110.db2.gz GHTFBEIRNKDRCS-SJCJKPOMSA-N 0 3 315.417 2.389 20 10 DECDHN COc1ccc([O-])c([C@H](C)[NH2+]C2CCC(NC(C)=O)CC2)c1 ZINC000273620699 130145119 /nfs/dbraw/zinc/14/51/19/130145119.db2.gz YZSNPLNINDGRPF-XGNXJENSSA-N 0 3 306.406 2.499 20 10 DECDHN COc1cccc(C[NH2+][C@H]2CCO[C@@H]2c2cccnc2)c1[O-] ZINC000285095979 131138177 /nfs/dbraw/zinc/13/81/77/131138177.db2.gz QIAYQJLTBZZNHW-WMLDXEAASA-N 0 3 300.358 2.416 20 10 DECDHN Cc1cccc(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c1[O-] ZINC000289203895 131365372 /nfs/dbraw/zinc/36/53/72/131365372.db2.gz BOJVCBWWHSLACA-ZDUSSCGKSA-N 0 3 318.339 2.053 20 10 DECDHN Cc1cccc(CNC[C@H](N2CCOCC2)C(F)(F)F)c1O ZINC000289203895 131365374 /nfs/dbraw/zinc/36/53/74/131365374.db2.gz BOJVCBWWHSLACA-ZDUSSCGKSA-N 0 3 318.339 2.053 20 10 DECDHN CC(C)[C@H]1CCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298162990 132048916 /nfs/dbraw/zinc/04/89/16/132048916.db2.gz PUDAKCOMBGCQIA-QGZVFWFLSA-N 0 3 303.450 2.489 20 10 DECDHN CC[C@H]([NH2+]CCCN(CC)S(C)(=O)=O)c1ccccc1[O-] ZINC000038035351 401921450 /nfs/dbraw/zinc/92/14/50/401921450.db2.gz BLJFLHZBYLYXFJ-AWEZNQCLSA-N 0 3 314.451 2.105 20 10 DECDHN CS(=O)(=O)CCCNCc1ccc(N2CCCCC2)cc1 ZINC000038047421 401921736 /nfs/dbraw/zinc/92/17/36/401921736.db2.gz IXPJSCNSZSCSKN-UHFFFAOYSA-N 0 3 310.463 2.201 20 10 DECDHN Cc1ccc([O-])c(C[N@@H+](C)CC(C)(C)CN2CCOCC2)c1 ZINC000093769703 402020774 /nfs/dbraw/zinc/02/07/74/402020774.db2.gz CPNRIHPYOMVBMD-UHFFFAOYSA-N 0 3 306.450 2.491 20 10 DECDHN Cc1ccc([O-])c(C[N@H+](C)CC(C)(C)CN2CCOCC2)c1 ZINC000093769703 402020776 /nfs/dbraw/zinc/02/07/76/402020776.db2.gz CPNRIHPYOMVBMD-UHFFFAOYSA-N 0 3 306.450 2.491 20 10 DECDHN CCOCc1cc(CNC[C@]2(O)CCSC2)ccc1OC ZINC000176751480 402333711 /nfs/dbraw/zinc/33/37/11/402333711.db2.gz ZCDYTURPPMYXOC-MRXNPFEDSA-N 0 3 311.447 2.189 20 10 DECDHN COCCCNC(=O)C1CC[NH+](Cc2cccc(C)c2[O-])CC1 ZINC000179820641 402600925 /nfs/dbraw/zinc/60/09/25/402600925.db2.gz KOISWOBHJRKELA-UHFFFAOYSA-N 0 3 320.433 2.065 20 10 DECDHN COc1c([O-])c(C[N@@H+]2CCCN(C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000278281534 402862632 /nfs/dbraw/zinc/86/26/32/402862632.db2.gz SXYLNUGRFYWWNF-UHFFFAOYSA-N 0 3 323.393 2.225 20 10 DECDHN COc1c([O-])c(C[N@H+]2CCCN(C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000278281534 402862635 /nfs/dbraw/zinc/86/26/35/402862635.db2.gz SXYLNUGRFYWWNF-UHFFFAOYSA-N 0 3 323.393 2.225 20 10 DECDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000268096032 403048027 /nfs/dbraw/zinc/04/80/27/403048027.db2.gz CTSQMPAVAKGBAF-SUMWQHHRSA-N 0 3 316.449 2.035 20 10 DECDHN C[C@H](NCC1(S(C)(=O)=O)CC1)c1cc2c(cc1O)CCCC2 ZINC000281172443 403059704 /nfs/dbraw/zinc/05/97/04/403059704.db2.gz PZWPNBCICRIKGQ-LBPRGKRZSA-N 0 3 323.458 2.499 20 10 DECDHN C[C@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000281172443 403059706 /nfs/dbraw/zinc/05/97/06/403059706.db2.gz PZWPNBCICRIKGQ-LBPRGKRZSA-N 0 3 323.458 2.499 20 10 DECDHN CN(C)c1ccc(CN[C@H](CO)C[C@H](O)c2ccccc2)cc1 ZINC000269955932 403178267 /nfs/dbraw/zinc/17/82/67/403178267.db2.gz SSZYLZQTUDWKBL-HKUYNNGSSA-N 0 3 314.429 2.327 20 10 DECDHN CN(C)c1ccc(CN2CCC[C@H](C3OCCO3)C2)cc1F ZINC000271146297 403269235 /nfs/dbraw/zinc/26/92/35/403269235.db2.gz IDWDFZIRQLNZBB-AWEZNQCLSA-N 0 3 308.397 2.477 20 10 DECDHN CN(C)c1ccc(CN2CCN(C[C@@H]3CCOC3)CC2)cc1F ZINC000271202641 403278358 /nfs/dbraw/zinc/27/83/58/403278358.db2.gz XZPPUQYMNHYPDD-INIZCTEOSA-N 0 3 321.440 2.046 20 10 DECDHN CCN(CC)c1ccc(CNC[C@H]2CC[C@@H](CO)O2)cc1F ZINC000292689796 403373856 /nfs/dbraw/zinc/37/38/56/403373856.db2.gz NJNLTHWWMUIHON-CABCVRRESA-N 0 3 310.413 2.301 20 10 DECDHN CC[C@@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)N(C)C ZINC000298684592 403439966 /nfs/dbraw/zinc/43/99/66/403439966.db2.gz USTUFVITGBXGFW-CVEARBPZSA-N 0 3 320.433 2.240 20 10 DECDHN COc1cc([O-])c(C[NH2+]C[C@@]2(O)CCCC2(C)C)cc1OC ZINC000293635217 403524388 /nfs/dbraw/zinc/52/43/88/403524388.db2.gz LROYFARAPQYTTA-KRWDZBQOSA-N 0 3 309.406 2.440 20 10 DECDHN CC(C)[C@]1(CO)CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000294206096 403672543 /nfs/dbraw/zinc/67/25/43/403672543.db2.gz YCDHOXRTYZVHOV-QGZVFWFLSA-N 0 3 307.390 2.351 20 10 DECDHN CC(C)[C@]1(CO)CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000294206096 403672549 /nfs/dbraw/zinc/67/25/49/403672549.db2.gz YCDHOXRTYZVHOV-QGZVFWFLSA-N 0 3 307.390 2.351 20 10 DECDHN COc1cc(O)c(CN[C@@H](CO)c2ccc(F)cc2)cc1OC ZINC000295116762 403764587 /nfs/dbraw/zinc/76/45/87/403764587.db2.gz MONWRWKRFXFQQP-AWEZNQCLSA-N 0 3 321.348 2.372 20 10 DECDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c([O-])c1 ZINC000363870650 404233432 /nfs/dbraw/zinc/23/34/32/404233432.db2.gz WMTMKUYGHHLJCH-KBPBESRZSA-N 0 3 300.406 2.364 20 10 DECDHN Cc1cc([O-])c(C[NH2+][C@]2(CO)COc3ccccc3C2)cc1C ZINC000527768447 406744462 /nfs/dbraw/zinc/74/44/62/406744462.db2.gz AJLHYJXOYJHCRH-LJQANCHMSA-N 0 3 313.397 2.465 20 10 DECDHN COc1ccc(C[NH2+]Cc2cn(C)nc2-c2cccnc2)c([O-])c1 ZINC000373465582 533678434 /nfs/dbraw/zinc/67/84/34/533678434.db2.gz LRVJZSRTUIMLJC-UHFFFAOYSA-N 0 3 324.384 2.486 20 10 DECDHN C[C@H](N[C@@H]1COC[C@H]1O)c1ccc(N2CCCCCC2)cc1 ZINC000295856025 225316682 /nfs/dbraw/zinc/31/66/82/225316682.db2.gz FEHLFLHUPDFYAH-BMGDILEWSA-N 0 3 304.434 2.477 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CC[C@](CO)(C(C)C)C2)cc1OC ZINC000378130021 227207979 /nfs/dbraw/zinc/20/79/79/227207979.db2.gz MXPHXEZTBQXALG-KRWDZBQOSA-N 0 3 309.406 2.250 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CC[C@](CO)(C(C)C)C2)cc1OC ZINC000378130021 227207983 /nfs/dbraw/zinc/20/79/83/227207983.db2.gz MXPHXEZTBQXALG-KRWDZBQOSA-N 0 3 309.406 2.250 20 10 DECDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1ncccn1 ZINC000269491703 276002903 /nfs/dbraw/zinc/00/29/03/276002903.db2.gz ZBMIYULHSQVBEE-CYBMUJFWSA-N 0 3 314.389 2.421 20 10 DECDHN CCN1CCCC[C@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181066925 521599145 /nfs/dbraw/zinc/59/91/45/521599145.db2.gz SRKSKVLEPYYVGP-KGXGESDWSA-N 0 3 304.390 2.102 20 10 DECDHN COC(=O)C[C@](C)(NCc1cc(F)ccc1O)c1ccncc1 ZINC000190022606 523359849 /nfs/dbraw/zinc/35/98/49/523359849.db2.gz PGYSAESFYIYLLS-KRWDZBQOSA-N 0 3 318.348 2.494 20 10 DECDHN COc1cccc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)c1[O-] ZINC000271164275 526032889 /nfs/dbraw/zinc/03/28/89/526032889.db2.gz AXGOLQYCJAACIY-OAHLLOKOSA-N 0 3 305.349 2.233 20 10 DECDHN Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180276587 527466041 /nfs/dbraw/zinc/46/60/41/527466041.db2.gz ODLUAIZFHJZUOW-MLGOLLRUSA-N 0 3 319.380 2.210 20 10 DECDHN Cn1ccnc1[C@H](O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180276587 527466048 /nfs/dbraw/zinc/46/60/48/527466048.db2.gz ODLUAIZFHJZUOW-MLGOLLRUSA-N 0 3 319.380 2.210 20 10 DECDHN Cc1cc(O)c(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000822210579 599404164 /nfs/dbraw/zinc/40/41/64/599404164.db2.gz IROXRYDKPYWIAZ-UHFFFAOYSA-N 0 3 309.373 2.479 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)C23CC(C2)C3)N(C)C)cc1 ZINC000891245284 623789146 /nfs/dbraw/zinc/78/91/46/623789146.db2.gz BWCOZEKLNVRYHD-MNQCNDSGSA-N 0 3 301.434 2.272 20 10 DECDHN Cc1cc[nH]c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891249095 623795946 /nfs/dbraw/zinc/79/59/46/623795946.db2.gz PORGFSHWBHXBEG-INIZCTEOSA-N 0 3 314.433 2.422 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)C2CC=CC2)N(C)C)cc1 ZINC000891250486 623795958 /nfs/dbraw/zinc/79/59/58/623795958.db2.gz AGYLFRDOWJHVMJ-KRWDZBQOSA-N 0 3 301.434 2.438 20 10 DECDHN CS(=O)(=O)[C@@H]1CCCC[C@H]1NCc1ccc2c(c1)CCCO2 ZINC000922144362 635893528 /nfs/dbraw/zinc/89/35/28/635893528.db2.gz SXQCTTIDOVWLIA-NVXWUHKLSA-N 0 3 323.458 2.457 20 10 DECDHN COc1ccc(CN[C@H](C)C(OC)OC)cc1Cn1cccn1 ZINC000922314127 636079935 /nfs/dbraw/zinc/07/99/35/636079935.db2.gz VEEZHQWYRGDLCA-CYBMUJFWSA-N 0 3 319.405 2.037 20 10 DECDHN CCOCc1cc(CN[C@H]2CCCN(CC)C2=O)ccc1OC ZINC000922639110 636290829 /nfs/dbraw/zinc/29/08/29/636290829.db2.gz HVVILAWYYWSMAG-INIZCTEOSA-N 0 3 320.433 2.332 20 10 DECDHN C[C@H]1CN(c2ccc(CNCc3cnc[nH]3)cc2F)C[C@H](C)O1 ZINC000894193557 636402308 /nfs/dbraw/zinc/40/23/08/636402308.db2.gz RRUGDQDOBNLYIY-STQMWFEESA-N 0 3 318.396 2.452 20 10 DECDHN CC[N@H+](Cc1cc(Br)cc(OC)c1[O-])[C@H](C)CO ZINC000814169240 636418882 /nfs/dbraw/zinc/41/88/82/636418882.db2.gz FSQKJQINBJNLRX-SECBINFHSA-N 0 3 318.211 2.366 20 10 DECDHN CC[N@@H+](Cc1cc(Br)cc(OC)c1[O-])[C@H](C)CO ZINC000814169240 636418889 /nfs/dbraw/zinc/41/88/89/636418889.db2.gz FSQKJQINBJNLRX-SECBINFHSA-N 0 3 318.211 2.366 20 10 DECDHN C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCc1c([O-])cccc1F ZINC000923308025 637099834 /nfs/dbraw/zinc/09/98/34/637099834.db2.gz ZGZYWDCPMDEYLZ-CYBMUJFWSA-N 0 3 323.412 2.451 20 10 DECDHN COc1ccc(CNCc2cc(N(C)C)ccn2)c(O)c1OC ZINC000896299015 638455025 /nfs/dbraw/zinc/45/50/25/638455025.db2.gz OGXIRVCNRIYGOL-UHFFFAOYSA-N 0 3 317.389 2.160 20 10 DECDHN CCOC[C@H](O)CN(Cc1ccco1)Cc1ccccc1O ZINC000749295966 638632866 /nfs/dbraw/zinc/63/28/66/638632866.db2.gz CZYXZGAGNMIRCK-OAHLLOKOSA-N 0 3 305.374 2.385 20 10 DECDHN CCC1(CC)CNC(=O)[C@H]1NCc1ccc(N(C)C)cc1C ZINC000897343520 639518102 /nfs/dbraw/zinc/51/81/02/639518102.db2.gz UQVGVAPANZGXFW-MRXNPFEDSA-N 0 3 303.450 2.455 20 10 DECDHN C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c2c1c(F)ccc2[O-] ZINC000756474967 639665225 /nfs/dbraw/zinc/66/52/25/639665225.db2.gz FHTINGHRXIPVGR-VXNVDRBHSA-N 0 3 320.286 2.348 20 10 DECDHN COC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000757926013 639895600 /nfs/dbraw/zinc/89/56/00/639895600.db2.gz IYJXDFBMPODNAR-HNNXBMFYSA-N 0 3 315.797 2.412 20 10 DECDHN C[C@@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1ccc(Cl)cc1[O-] ZINC000841762462 650559193 /nfs/dbraw/zinc/55/91/93/650559193.db2.gz JPPOKNDXZJGQTL-QWHCGFSZSA-N 0 3 311.857 2.332 20 10 DECDHN CCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000761223897 640287447 /nfs/dbraw/zinc/28/74/47/640287447.db2.gz UHKUAPMUWRXVJD-OCCSQVGLSA-N 0 3 315.797 2.338 20 10 DECDHN C[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc2ccccc2c1[O-] ZINC000762788763 640459660 /nfs/dbraw/zinc/45/96/60/640459660.db2.gz QOCDXNQFCKESBM-SCLBCKFNSA-N 0 3 300.402 2.263 20 10 DECDHN C[C@H](NC(=O)N1CCN[C@@H](C)[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000841881725 650590984 /nfs/dbraw/zinc/59/09/84/650590984.db2.gz UKSMWZFJJXTYGT-IHRRRGAJSA-N 0 3 304.438 2.205 20 10 DECDHN O=S1(=O)C[C@H]2CN(Cc3c(O)ccc4ccccc43)C[C@H]2C1 ZINC000897619348 640870072 /nfs/dbraw/zinc/87/00/72/640870072.db2.gz UCXRGWIALKHXBB-OKILXGFUSA-N 0 3 317.410 2.022 20 10 DECDHN O=S1(=O)C[C@H]2C[N@H+](Cc3c([O-])ccc4ccccc43)C[C@H]2C1 ZINC000897619348 640870075 /nfs/dbraw/zinc/87/00/75/640870075.db2.gz UCXRGWIALKHXBB-OKILXGFUSA-N 0 3 317.410 2.022 20 10 DECDHN O=S1(=O)C[C@H]2C[N@@H+](Cc3c([O-])ccc4ccccc43)C[C@H]2C1 ZINC000897619348 640870078 /nfs/dbraw/zinc/87/00/78/640870078.db2.gz UCXRGWIALKHXBB-OKILXGFUSA-N 0 3 317.410 2.022 20 10 DECDHN COc1cc(C)cc(CN2CCCN(CC(F)F)CC2)c1O ZINC000766369001 640873640 /nfs/dbraw/zinc/87/36/40/640873640.db2.gz GLEGTXWMOLCPDQ-UHFFFAOYSA-N 0 3 314.376 2.482 20 10 DECDHN COc1ccc(C[N@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)cc1 ZINC000768437958 641081416 /nfs/dbraw/zinc/08/14/16/641081416.db2.gz LCVFOBHYOIYWBQ-KRWDZBQOSA-N 0 3 315.369 2.459 20 10 DECDHN COc1ccc(C[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)cc1 ZINC000768437958 641081421 /nfs/dbraw/zinc/08/14/21/641081421.db2.gz LCVFOBHYOIYWBQ-KRWDZBQOSA-N 0 3 315.369 2.459 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](C3CCOCC3)C1)[C@H](O)CO2 ZINC000768466273 641086043 /nfs/dbraw/zinc/08/60/43/641086043.db2.gz XKHNRCNMFPCEOR-CXAGYDPISA-N 0 3 319.401 2.067 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](C3CCOCC3)C1)[C@H](O)CO2 ZINC000768466273 641086046 /nfs/dbraw/zinc/08/60/46/641086046.db2.gz XKHNRCNMFPCEOR-CXAGYDPISA-N 0 3 319.401 2.067 20 10 DECDHN CCOC(=O)N(C)C1CC[NH+](Cc2c([O-])cccc2OC)CC1 ZINC000769309408 641214701 /nfs/dbraw/zinc/21/47/01/641214701.db2.gz NAZRSXKLEFABOV-UHFFFAOYSA-N 0 3 322.405 2.454 20 10 DECDHN CCOc1ccc(C[NH+]2CCC(N3CCCC3=O)CC2)c([O-])c1 ZINC000769329622 641219075 /nfs/dbraw/zinc/21/90/75/641219075.db2.gz MJTGGNRBUPHGKT-UHFFFAOYSA-N 0 3 318.417 2.378 20 10 DECDHN CCN1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C ZINC000769381408 641230243 /nfs/dbraw/zinc/23/02/43/641230243.db2.gz OFJRHPHKDXRGAR-HNNXBMFYSA-N 0 3 321.440 2.188 20 10 DECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000769405254 641233248 /nfs/dbraw/zinc/23/32/48/641233248.db2.gz RQGRIJMTWXSDSR-AWEZNQCLSA-N 0 3 318.417 2.235 20 10 DECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000769405254 641233254 /nfs/dbraw/zinc/23/32/54/641233254.db2.gz RQGRIJMTWXSDSR-AWEZNQCLSA-N 0 3 318.417 2.235 20 10 DECDHN CCCN(CCC)c1ccc(CN2C[C@H](O)C[C@H](O)C2)cc1 ZINC000769564975 641260830 /nfs/dbraw/zinc/26/08/30/641260830.db2.gz RVBOJSHHZNULPW-HDICACEKSA-N 0 3 306.450 2.241 20 10 DECDHN COc1c(O)c(CN(C)Cc2cccn2C)ccc1[N+](=O)[O-] ZINC000774904139 641979196 /nfs/dbraw/zinc/97/91/96/641979196.db2.gz PSKOIPXDZPKUBO-UHFFFAOYSA-N 0 3 305.334 2.280 20 10 DECDHN COCC[C@@]1([NH2+]Cc2cc(Cl)cc(OC)c2[O-])CCOC1 ZINC000775203696 642016205 /nfs/dbraw/zinc/01/62/05/642016205.db2.gz NCXJZBQZTHJZCC-OAHLLOKOSA-N 0 3 315.797 2.339 20 10 DECDHN CC[C@H](C)NC(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775257056 642022465 /nfs/dbraw/zinc/02/24/65/642022465.db2.gz DZHJQGBLQTXWEN-GJZGRUSLSA-N 0 3 319.449 2.089 20 10 DECDHN COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000775997880 642121678 /nfs/dbraw/zinc/12/16/78/642121678.db2.gz DKVFAJOGXABCBT-VXGBXAGGSA-N 0 3 310.369 2.488 20 10 DECDHN CC[C@@]1(O)CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000779219042 642473826 /nfs/dbraw/zinc/47/38/26/642473826.db2.gz KWJDAMSLHSLWGI-QGZVFWFLSA-N 0 3 308.397 2.009 20 10 DECDHN CCn1cnc(CNC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000902724108 643121395 /nfs/dbraw/zinc/12/13/95/643121395.db2.gz SAAAPMPXWYVCII-SFHVURJKSA-N 0 3 315.465 2.362 20 10 DECDHN COc1ccc(N2CC[C@@H](CN[C@H](C)c3cn(C)nn3)C2)cc1 ZINC000903026660 643230503 /nfs/dbraw/zinc/23/05/03/643230503.db2.gz RDZCZLSGOHGFDD-KGLIPLIRSA-N 0 3 315.421 2.001 20 10 DECDHN COc1cccc(O)c1CN1CCC(Oc2cnccn2)CC1 ZINC000787295140 643478310 /nfs/dbraw/zinc/47/83/10/643478310.db2.gz WYHDGEZRBWGSPP-UHFFFAOYSA-N 0 3 315.373 2.234 20 10 DECDHN Cc1cnc(CNCc2ccc(N3CCN(C)CC3)cc2)o1 ZINC000789558777 643749502 /nfs/dbraw/zinc/74/95/02/643749502.db2.gz BRQLAESZJQZLGR-UHFFFAOYSA-N 0 3 300.406 2.025 20 10 DECDHN COc1cc(C)cc(CN2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1O ZINC000790396414 643847260 /nfs/dbraw/zinc/84/72/60/643847260.db2.gz SFDSZVSFCGXKIE-SUNYJGFJSA-N 0 3 321.417 2.478 20 10 DECDHN C[C@@]1(F)C[NH2+]CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000843124701 650901561 /nfs/dbraw/zinc/90/15/61/650901561.db2.gz FPNKMIULJDFPNA-CYBMUJFWSA-N 0 3 317.202 2.288 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](c3ccccn3)C1)[C@@H](O)CO2 ZINC000799158395 645135490 /nfs/dbraw/zinc/13/54/90/645135490.db2.gz KGVNKWFLMZVATO-SJCJKPOMSA-N 0 3 312.369 2.203 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](c3ccccn3)C1)[C@@H](O)CO2 ZINC000799158395 645135493 /nfs/dbraw/zinc/13/54/93/645135493.db2.gz KGVNKWFLMZVATO-SJCJKPOMSA-N 0 3 312.369 2.203 20 10 DECDHN C[C@@H](NCc1ccc2c(c1)CCN2Cc1ccccc1)C(N)=O ZINC000809655453 646258559 /nfs/dbraw/zinc/25/85/59/646258559.db2.gz KJQMCCRRTGDINS-CQSZACIVSA-N 0 3 309.413 2.213 20 10 DECDHN COc1ccc(O)c([C@@H](C)NCc2ccc(C(=O)N(C)C)[nH]2)c1 ZINC000813330682 646757189 /nfs/dbraw/zinc/75/71/89/646757189.db2.gz CUMTYMKPKAYTSM-LLVKDONJSA-N 0 3 317.389 2.282 20 10 DECDHN CC(C)[NH+](CCNC(=O)NCc1c([O-])cccc1F)C(C)C ZINC000913859246 647070968 /nfs/dbraw/zinc/07/09/68/647070968.db2.gz NPRZPGLEJHCNQE-UHFFFAOYSA-N 0 3 311.401 2.449 20 10 DECDHN Cn1c2ccc(CNCc3ccc4c(c3)CCO4)cc2oc1=O ZINC000816545446 647149709 /nfs/dbraw/zinc/14/97/09/647149709.db2.gz RDWCBWNHHZSGTO-UHFFFAOYSA-N 0 3 310.353 2.356 20 10 DECDHN COc1ccc(N2CC[C@@H](CNCc3nccn3C)C2)cc1 ZINC000818220082 647434571 /nfs/dbraw/zinc/43/45/71/647434571.db2.gz IWYXMKQBKFVPJQ-AWEZNQCLSA-N 0 3 300.406 2.045 20 10 DECDHN COc1ccc(N2CC[C@@H](CN[C@H]3CCn4ccnc43)C2)cc1 ZINC000818341818 647456428 /nfs/dbraw/zinc/45/64/28/647456428.db2.gz GZQDAVNZLHAMBJ-YOEHRIQHSA-N 0 3 312.417 2.453 20 10 DECDHN COc1ccc(N2CC[C@@H](CNc3cc(C)nc(N)n3)C2)cc1 ZINC000819934358 647743263 /nfs/dbraw/zinc/74/32/63/647743263.db2.gz FDBMRCNLRBVKFE-ZDUSSCGKSA-N 0 3 313.405 2.314 20 10 DECDHN C[N@@H+]1CC[C@@H]2CN(Cc3cc(Br)ccc3[O-])C[C@@H]21 ZINC000824893187 648668105 /nfs/dbraw/zinc/66/81/05/648668105.db2.gz NAVIUVUBTDKRIY-MFKMUULPSA-N 0 3 311.223 2.291 20 10 DECDHN C[N@H+]1CC[C@@H]2CN(Cc3cc(Br)ccc3[O-])C[C@@H]21 ZINC000824893187 648668106 /nfs/dbraw/zinc/66/81/06/648668106.db2.gz NAVIUVUBTDKRIY-MFKMUULPSA-N 0 3 311.223 2.291 20 10 DECDHN Cn1nccc1[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])CCO1 ZINC000825045463 648691564 /nfs/dbraw/zinc/69/15/64/648691564.db2.gz FGEMYWXPZAFKGM-CZUORRHYSA-N 0 3 305.353 2.275 20 10 DECDHN C/C(=C/C(=O)N(CCN(C)C)c1ccccc1)c1cnccn1 ZINC000825510713 648773101 /nfs/dbraw/zinc/77/31/01/648773101.db2.gz FNFMRRMPLWRQII-SQFISAMPSA-N 0 3 310.401 2.475 20 10 DECDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c1[O-] ZINC000826846555 648936211 /nfs/dbraw/zinc/93/62/11/648936211.db2.gz WAWHRIPQNKXVRZ-GFCCVEGCSA-N 0 3 306.797 2.468 20 10 DECDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)c1[O-] ZINC000826846555 648936215 /nfs/dbraw/zinc/93/62/15/648936215.db2.gz WAWHRIPQNKXVRZ-GFCCVEGCSA-N 0 3 306.797 2.468 20 10 DECDHN [O-]c1cccc(Cl)c1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000827699541 649071131 /nfs/dbraw/zinc/07/11/31/649071131.db2.gz IKZRYEHQEDRGEY-CYBMUJFWSA-N 0 3 310.825 2.077 20 10 DECDHN [O-]c1cccc(Cl)c1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000827699541 649071135 /nfs/dbraw/zinc/07/11/35/649071135.db2.gz IKZRYEHQEDRGEY-CYBMUJFWSA-N 0 3 310.825 2.077 20 10 DECDHN COc1ccc(O)c(CN2CCN(c3ccc(O)cc3)CC2)c1 ZINC000183461330 649081581 /nfs/dbraw/zinc/08/15/81/649081581.db2.gz HDDXVTTVCCYNEG-UHFFFAOYSA-N 0 3 314.385 2.429 20 10 DECDHN Cc1cc(O)c(CN2CCN(c3nccn3C)CC2)c(Cl)c1 ZINC000827884436 649098987 /nfs/dbraw/zinc/09/89/87/649098987.db2.gz BODLYMBZBJESJL-UHFFFAOYSA-N 0 3 320.824 2.410 20 10 DECDHN CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000834668384 649828140 /nfs/dbraw/zinc/82/81/40/649828140.db2.gz LHIQLXHZGSBDJG-MCIONIFRSA-N 0 3 309.431 2.325 20 10 DECDHN CN(C)c1ccc(CNC(=O)CN2CCC23CCCC3)cc1 ZINC000844357127 651116794 /nfs/dbraw/zinc/11/67/94/651116794.db2.gz DQBNLDFLKIGTKC-UHFFFAOYSA-N 0 3 301.434 2.387 20 10 DECDHN COc1cccc([C@H](C)NCCS(=O)(=O)C(C)(C)C)c1O ZINC000846151084 651311300 /nfs/dbraw/zinc/31/13/00/651311300.db2.gz UYYMMKTZNHSWCG-NSHDSACASA-N 0 3 315.435 2.265 20 10 DECDHN [NH3+]C[C@@H](NCc1cc(Br)ccc1[O-])C(F)(F)F ZINC000848716377 651496160 /nfs/dbraw/zinc/49/61/60/651496160.db2.gz XNRQCPAKJMTFIU-SECBINFHSA-N 0 3 313.117 2.134 20 10 DECDHN O=[S@@](CC[NH2+][C@@H]1CCc2cccc([O-])c21)CC(F)(F)F ZINC000850495203 651939949 /nfs/dbraw/zinc/93/99/49/651939949.db2.gz YGNKMQARPRPSIR-SBKAZYGRSA-N 0 3 307.337 2.280 20 10 DECDHN O=C1C[C@@H](C[N@H+](Cc2ccco2)Cc2ccccc2[O-])CN1 ZINC000851840607 652254997 /nfs/dbraw/zinc/25/49/97/652254997.db2.gz INVIBXLOPAFWJU-CYBMUJFWSA-N 0 3 300.358 2.124 20 10 DECDHN O=C1C[C@@H](C[N@@H+](Cc2ccco2)Cc2ccccc2[O-])CN1 ZINC000851840607 652255004 /nfs/dbraw/zinc/25/50/04/652255004.db2.gz INVIBXLOPAFWJU-CYBMUJFWSA-N 0 3 300.358 2.124 20 10 DECDHN Cc1cc(CN2CCC(N3CCOC3=O)CC2)ccc1N(C)C ZINC000852720451 652443589 /nfs/dbraw/zinc/44/35/89/652443589.db2.gz GSYFMGAVZNMKAN-UHFFFAOYSA-N 0 3 317.433 2.478 20 10 DECDHN COc1ccc(N(C)CCN(C)c2ccnc(CO)c2)cc1 ZINC000858604570 685566917 /nfs/dbraw/zinc/56/69/17/685566917.db2.gz INXUQJMUSBUAFE-UHFFFAOYSA-N 0 3 301.390 2.155 20 10 DECDHN C[C@@H]1C[C@@H](C)CN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000039519480 683887652 /nfs/dbraw/zinc/88/76/52/683887652.db2.gz GHUHGWLMDSVPJQ-HUUCEWRRSA-N 0 3 303.450 2.347 20 10 DECDHN CN(C)c1ccc(/C=C\CN2C[C@](C)(CO)[C@](C)(CO)C2)cc1 ZINC000862518987 686313877 /nfs/dbraw/zinc/31/38/77/686313877.db2.gz OHZCHDBQZXTAFC-WOQGQJNTSA-N 0 3 318.461 2.079 20 10 DECDHN COC(=O)/C=C(\C)CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000929971237 694061593 /nfs/dbraw/zinc/06/15/93/694061593.db2.gz NXAQZRDITBNDIJ-HFQYIWAZSA-N 0 3 319.401 2.493 20 10 DECDHN C[C@H]([NH2+]C[C@@H](n1cncn1)C(F)(F)F)c1ccccc1[O-] ZINC000866434978 687571796 /nfs/dbraw/zinc/57/17/96/687571796.db2.gz TUZYFKMCNWPZAJ-JOYOIKCWSA-N 0 3 300.284 2.438 20 10 DECDHN CC[C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccc(C)cc1[O-] ZINC000866571204 687612581 /nfs/dbraw/zinc/61/25/81/687612581.db2.gz AQAPHKLVIRRGHM-ZDUSSCGKSA-N 0 3 314.451 2.056 20 10 DECDHN Cc1cc(Br)c([O-])c(CN2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000873215815 689186008 /nfs/dbraw/zinc/18/60/08/689186008.db2.gz HOWWHGMFXTXUHF-ZYHUDNBSSA-N 0 3 313.239 2.490 20 10 DECDHN O=C(NC[C@@H]1CCCCN1C1CC1)N1Cc2cccc(O)c2C1 ZINC000875535392 689644690 /nfs/dbraw/zinc/64/46/90/689644690.db2.gz NUOLNLQOPRRJCY-HNNXBMFYSA-N 0 3 315.417 2.434 20 10 DECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000876809746 689944167 /nfs/dbraw/zinc/94/41/67/689944167.db2.gz IVLAQQQGFQAYMX-YOEHRIQHSA-N 0 3 315.417 2.380 20 10 DECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000876809746 689944170 /nfs/dbraw/zinc/94/41/70/689944170.db2.gz IVLAQQQGFQAYMX-YOEHRIQHSA-N 0 3 315.417 2.380 20 10 DECDHN COc1cc(CNC2CCN(c3ccc(OC)cc3)CC2)on1 ZINC000877635619 690174367 /nfs/dbraw/zinc/17/43/67/690174367.db2.gz ZERBTVZNWIUDIV-UHFFFAOYSA-N 0 3 317.389 2.450 20 10 DECDHN CCc1cccc(CNC[C@@H](n2cncn2)C(F)(F)F)c1O ZINC000877672800 690185483 /nfs/dbraw/zinc/18/54/83/690185483.db2.gz AVJMVJFTZALOSZ-GFCCVEGCSA-N 0 3 314.311 2.439 20 10 DECDHN COc1cc(O)c(CN[C@H]2CCCn3nccc32)cc1OC ZINC000877778823 690225327 /nfs/dbraw/zinc/22/53/27/690225327.db2.gz UXHBNIUMMPHJQX-LBPRGKRZSA-N 0 3 303.362 2.231 20 10 DECDHN COc1ccc(N2CCN(C[C@H]3C[C@@H](OC)C3)CC2)cc1F ZINC000878180392 690337329 /nfs/dbraw/zinc/33/73/29/690337329.db2.gz AVLJWIUIBHODMQ-OTVXOJSOSA-N 0 3 308.397 2.381 20 10 DECDHN CC(C)CCOCCNC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649115 690699407 /nfs/dbraw/zinc/69/94/07/690699407.db2.gz LZCXHHZVCKWQRX-CQSZACIVSA-N 0 3 308.422 2.222 20 10 DECDHN CCCn1nccc1NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648579 690699444 /nfs/dbraw/zinc/69/94/44/690699444.db2.gz UTSDBKHOKYIARP-GFCCVEGCSA-N 0 3 302.378 2.288 20 10 DECDHN CCN(C)c1ccc(CN2CCNC(=O)CC23CCC3)cc1 ZINC000880169033 690828958 /nfs/dbraw/zinc/82/89/58/690828958.db2.gz YXNBMLURELYVAQ-UHFFFAOYSA-N 0 3 301.434 2.387 20 10 DECDHN CC(=O)c1cc(F)cc(Cn2cc([C@H](N)C(C)C)nn2)c1O ZINC000880995925 691010825 /nfs/dbraw/zinc/01/08/25/691010825.db2.gz IPBZQKYKZJYBBZ-CQSZACIVSA-N 0 3 306.341 2.030 20 10 DECDHN CN(C)c1cc(F)c(CN[C@H](CO)C[C@@H]2CCCO2)cc1F ZINC000886220780 692027636 /nfs/dbraw/zinc/02/76/36/692027636.db2.gz MSNWAYWCDSBQHJ-STQMWFEESA-N 0 3 314.376 2.050 20 10 DECDHN COc1cccc([O-])c1C[NH2+]C[C@@H](O)Cc1ccccc1F ZINC000886234006 692032691 /nfs/dbraw/zinc/03/26/91/692032691.db2.gz CXSMECIZDPDFSB-ZDUSSCGKSA-N 0 3 305.349 2.233 20 10 DECDHN CCOc1ccc(C[NH2+][C@H](COC)[C@H]2CCCOC2)c([O-])c1 ZINC000886359398 692065165 /nfs/dbraw/zinc/06/51/65/692065165.db2.gz BNLHMNXOYUWAOI-GOEBONIOSA-N 0 3 309.406 2.322 20 10 DECDHN CCOC(=O)c1cc(CN[C@H](C)c2cc(OC)ccc2O)[nH]n1 ZINC001349564041 1151261010 /nfs/dbraw/zinc/26/10/10/1151261010.db2.gz KDRFISMMKLOLIP-SNVBAGLBSA-N 0 3 319.361 2.151 20 10 DECDHN O=C(/C=C\c1ccc(O)c(O)c1)N1CCN(C2CCCC2)CC1 ZINC000588403244 777075397 /nfs/dbraw/zinc/07/53/97/777075397.db2.gz HHFHGAYVUGBOTI-VURMDHGXSA-N 0 3 316.401 2.198 20 10 DECDHN CN(CCN(C)C(=O)c1cccc(O)c1O)Cc1ccccc1 ZINC001148218830 791712067 /nfs/dbraw/zinc/71/20/67/791712067.db2.gz MSLWTEBMJBMVJH-UHFFFAOYSA-N 0 3 314.385 2.302 20 10 DECDHN CC(C)CN(C(=O)c1cc(O)c([O-])c(O)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001148591245 791779439 /nfs/dbraw/zinc/77/94/39/791779439.db2.gz VXXUHDZDHVTLHM-JOCQHMNTSA-N 0 3 322.405 2.172 20 10 DECDHN CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2ccccc2[O-])CC1=O ZINC001171686263 793187672 /nfs/dbraw/zinc/18/76/72/793187672.db2.gz VFAXIFGPZXIYMV-GFCCVEGCSA-N 0 3 306.362 2.018 20 10 DECDHN O=[N+]([O-])c1ccc([O-])c(CNC2CC[NH+](CC3CC3)CC2)c1 ZINC001177334688 794643163 /nfs/dbraw/zinc/64/31/63/794643163.db2.gz WLWSOSJGMNCLOY-UHFFFAOYSA-N 0 3 305.378 2.264 20 10 DECDHN CCN1CCCC[C@@H]1C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001181994129 795576889 /nfs/dbraw/zinc/57/68/89/795576889.db2.gz HCZMGJWKKVQULB-OAHLLOKOSA-N 0 3 318.417 2.247 20 10 DECDHN C[C@]1(CO)CN(Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1O ZINC001138215755 796184100 /nfs/dbraw/zinc/18/41/00/796184100.db2.gz SEONFDXHZTUYQB-RBUKOAKNSA-N 0 3 318.461 2.242 20 10 DECDHN CN1CCCc2cc(CN3CCC[C@@]4(CNC(=O)O4)C3)ccc21 ZINC001138355762 796204135 /nfs/dbraw/zinc/20/41/35/796204135.db2.gz CBAJDLLQRUIKKK-GOSISDBHSA-N 0 3 315.417 2.143 20 10 DECDHN CN(Cc1ccc(N2CCOCC2)nc1)Cc1ccccc1O ZINC001139434445 796376062 /nfs/dbraw/zinc/37/60/62/796376062.db2.gz BXJLVVMRPZVELU-UHFFFAOYSA-N 0 3 313.401 2.256 20 10 DECDHN Oc1ccc(F)cc1CN1CCN(CCc2ccncc2)CC1 ZINC001140055650 796471271 /nfs/dbraw/zinc/47/12/71/796471271.db2.gz NZABFCWASMJZNM-UHFFFAOYSA-N 0 3 315.392 2.287 20 10 DECDHN COc1ccc(N2CCN(Cc3ccncc3O)CC2)c(C)c1 ZINC001140282467 796501579 /nfs/dbraw/zinc/50/15/79/796501579.db2.gz ZSRRWTZQMAYXEK-UHFFFAOYSA-N 0 3 313.401 2.426 20 10 DECDHN Cc1ccc(O)c(CN2CC3CC2(C(=O)N2CCCC2)C3)c1 ZINC001140620375 796547081 /nfs/dbraw/zinc/54/70/81/796547081.db2.gz LXIYJAIMVGKPAT-UHFFFAOYSA-N 0 3 300.402 2.287 20 10 DECDHN C[C@@H]1CC[C@H](CO)CN1Cc1ccc(N2CCOCC2)cc1F ZINC001140660140 796552175 /nfs/dbraw/zinc/55/21/75/796552175.db2.gz HIKJGUCWWBEIQF-CABCVRRESA-N 0 3 322.424 2.255 20 10 DECDHN CC(=O)N[C@H]1CCN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141078523 796632702 /nfs/dbraw/zinc/63/27/02/796632702.db2.gz ZEKIQMUESMMEPF-SFHVURJKSA-N 0 3 313.445 2.096 20 10 DECDHN COC(=O)[C@H]1CCCN(Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141146235 796640064 /nfs/dbraw/zinc/64/00/64/796640064.db2.gz PHYSKNOSUWFPCP-HNNXBMFYSA-N 0 3 318.417 2.290 20 10 DECDHN O=C1NC[C@@H](c2ccccc2)[C@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001203552072 800079577 /nfs/dbraw/zinc/07/95/77/800079577.db2.gz ZAXHOUOYGNKAMT-FXAWDEMLSA-N 0 3 322.408 2.498 20 10 DECDHN O=C1NC[C@@H](c2ccccc2)[C@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001203552072 800079580 /nfs/dbraw/zinc/07/95/80/800079580.db2.gz ZAXHOUOYGNKAMT-FXAWDEMLSA-N 0 3 322.408 2.498 20 10 DECDHN COc1cc(O[C@@H]2CC[N@H+](Cc3ccccc3[O-])C2)ccn1 ZINC001203563012 800081899 /nfs/dbraw/zinc/08/18/99/800081899.db2.gz SSSWPBNFXJVQGD-OAHLLOKOSA-N 0 3 300.358 2.449 20 10 DECDHN COc1cc(O[C@@H]2CC[N@@H+](Cc3ccccc3[O-])C2)ccn1 ZINC001203563012 800081901 /nfs/dbraw/zinc/08/19/01/800081901.db2.gz SSSWPBNFXJVQGD-OAHLLOKOSA-N 0 3 300.358 2.449 20 10 DECDHN COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(OC)cc1[O-])C2 ZINC001203629277 800093946 /nfs/dbraw/zinc/09/39/46/800093946.db2.gz VOOWMXNDOGPJLL-UBHSHLNASA-N 0 3 305.374 2.174 20 10 DECDHN COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(OC)cc1[O-])C2 ZINC001203629277 800093957 /nfs/dbraw/zinc/09/39/57/800093957.db2.gz VOOWMXNDOGPJLL-UBHSHLNASA-N 0 3 305.374 2.174 20 10 DECDHN COc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(C)o3)C2)c([O-])c1 ZINC001203634563 800095084 /nfs/dbraw/zinc/09/50/84/800095084.db2.gz LZOBCXYKFQTNCW-CYBMUJFWSA-N 0 3 303.362 2.472 20 10 DECDHN COc1ccc(C[N@H+]2CCC[C@@H](c3nnc(C)o3)C2)c([O-])c1 ZINC001203634563 800095094 /nfs/dbraw/zinc/09/50/94/800095094.db2.gz LZOBCXYKFQTNCW-CYBMUJFWSA-N 0 3 303.362 2.472 20 10 DECDHN CCN(CC)c1ccc(CN2CC[C@@H](O)[C@@](C)(CO)C2)cc1 ZINC001203940784 800148824 /nfs/dbraw/zinc/14/88/24/800148824.db2.gz ZGQMJDYTIGMNDY-QZTJIDSGSA-N 0 3 306.450 2.098 20 10 DECDHN COc1cc(C)c(C[NH2+]C[C@@H](CO)CC2CCOCC2)c([O-])c1 ZINC001205560937 800377115 /nfs/dbraw/zinc/37/71/15/800377115.db2.gz GKZJPWZZFGKTDV-HNNXBMFYSA-N 0 3 323.433 2.224 20 10 DECDHN F[C@H]1CNCCN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001210580896 801425990 /nfs/dbraw/zinc/42/59/90/801425990.db2.gz MYPQWKPGVHEIPM-KRWDZBQOSA-N 0 3 303.425 2.129 20 10 DECDHN Clc1cc(CN2CCC3(COC3)C2)ccc1N1CCOCC1 ZINC001232195644 801812481 /nfs/dbraw/zinc/81/24/81/801812481.db2.gz WZLOHWVUTLIKLO-UHFFFAOYSA-N 0 3 322.836 2.399 20 10 DECDHN COC(=O)c1c(CN(C)CC2(C)COC2)c2ccccc2n1C ZINC001232405133 801873061 /nfs/dbraw/zinc/87/30/61/801873061.db2.gz GEOUBZJZJCVQGE-UHFFFAOYSA-N 0 3 316.401 2.433 20 10 DECDHN CCOC(=O)c1c(CN2CC[C@@](C)(O)C2)c2ccccc2n1C ZINC001233270562 802059345 /nfs/dbraw/zinc/05/93/45/802059345.db2.gz RPYNEHRKZZQKRI-GOSISDBHSA-N 0 3 316.401 2.312 20 10 DECDHN Cc1cccnc1O[C@H]1CCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233487993 802128804 /nfs/dbraw/zinc/12/88/04/802128804.db2.gz ZUFCIDMLZVSGMP-ZDUSSCGKSA-N 0 3 316.357 2.160 20 10 DECDHN C[C@H]1C[C@@H](CO)[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233727860 802190639 /nfs/dbraw/zinc/19/06/39/802190639.db2.gz QDPYBGDPRPDHSS-ONGXEEELSA-N 0 3 305.296 2.494 20 10 DECDHN C[C@H]1C[C@@H](CO)[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233727860 802190642 /nfs/dbraw/zinc/19/06/42/802190642.db2.gz QDPYBGDPRPDHSS-ONGXEEELSA-N 0 3 305.296 2.494 20 10 DECDHN Cc1ccc(C(=O)Nc2cccc(N3CC[NH2+]CC3)c2)c([O-])c1 ZINC001219120281 802286672 /nfs/dbraw/zinc/28/66/72/802286672.db2.gz TWIBBJSTXJASQT-UHFFFAOYSA-N 0 3 311.385 2.363 20 10 DECDHN C[C@](N)(Cc1ccc(F)cc1)C(=O)NCc1ccccc1O ZINC001219923677 802391459 /nfs/dbraw/zinc/39/14/59/802391459.db2.gz WVNBIYSLCFQQAO-KRWDZBQOSA-N 0 3 302.349 2.108 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](c3nccs3)C1)[C@@H](O)CO2 ZINC001331047561 1149368477 /nfs/dbraw/zinc/36/84/77/1149368477.db2.gz YBIJTSRUTQIBEM-HZMBPMFUSA-N 0 3 318.398 2.264 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](c3nccs3)C1)[C@@H](O)CO2 ZINC001331047561 1149368480 /nfs/dbraw/zinc/36/84/80/1149368480.db2.gz YBIJTSRUTQIBEM-HZMBPMFUSA-N 0 3 318.398 2.264 20 10 DECDHN COc1cccc([C@H](C)N[C@@H](C)C(=O)NCC(F)(F)F)c1O ZINC001328725225 1148828808 /nfs/dbraw/zinc/82/88/08/1148828808.db2.gz ALCOHVHYIOOWIF-IUCAKERBSA-N 0 3 320.311 2.118 20 10 DECDHN CCO[C@@H](C)C(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 ZINC001499168370 1067127671 /nfs/dbraw/zinc/12/76/71/1067127671.db2.gz PETDXVVQKGFOFN-AWEZNQCLSA-N 0 3 320.433 2.167 20 10 DECDHN CC[C@@H](C)N1CC[C@@]2(CCCN2Cc2cc(O)ccc2O)C1=O ZINC001272385547 1078845636 /nfs/dbraw/zinc/84/56/36/1078845636.db2.gz BYGIDYNHOGTFDN-ACJLOTCBSA-N 0 3 318.417 2.463 20 10 DECDHN C[C@@H]1C[C@@H]1N1C[C@@H](NCc2ccc(N3CCCC3)cc2)CC1=O ZINC001620817629 1076255686 /nfs/dbraw/zinc/25/56/86/1076255686.db2.gz CDHZJSBJGIHQFZ-HFTRVMKXSA-N 0 3 313.445 2.386 20 10 DECDHN COc1ccc(C[NH2+]Cc2cc(-c3ccccn3)n[nH]2)c([O-])c1 ZINC001652294849 1079864910 /nfs/dbraw/zinc/86/49/10/1079864910.db2.gz CYNTVKCURJGDJN-UHFFFAOYSA-N 0 3 310.357 2.476 20 10 DECDHN CN(C)c1ncc(CNCc2ccc3c(c2)CCCN3C)cn1 ZINC001656233526 1080070726 /nfs/dbraw/zinc/07/07/26/1080070726.db2.gz REDQEFCMIQJXTG-UHFFFAOYSA-N 0 3 311.433 2.215 20 10 DECDHN COC(=O)/C=C\c1ccc(CNCc2ccc(OC)cc2O)o1 ZINC001659583860 1080244558 /nfs/dbraw/zinc/24/45/58/1080244558.db2.gz PEBZSNNEGZVQTR-FPLPWBNLSA-N 0 3 317.341 2.470 20 10 DECDHN O=C1NCCN1c1ccc(C[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC001660579164 1080360811 /nfs/dbraw/zinc/36/08/11/1080360811.db2.gz YIVHTUCQRQPSJH-UHFFFAOYSA-N 0 3 315.348 2.351 20 10 DECDHN COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]Cc3ccc(OC)cc3[O-])[C@H]2C1 ZINC001664450188 1080911837 /nfs/dbraw/zinc/91/18/37/1080911837.db2.gz CCRMWPWWIOXJTE-UXOAXIEHSA-N 0 3 305.374 2.078 20 10 DECDHN COc1ccc(CNC2(CNC(=O)[C@@H]3C[C@H]3C)CC2)cc1C ZINC001269469461 1081256819 /nfs/dbraw/zinc/25/68/19/1081256819.db2.gz VRJLRAOZRCHSHM-IUODEOHRSA-N 0 3 302.418 2.398 20 10 DECDHN O=C(N1CCCC12CC2)[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC001277447016 1083975378 /nfs/dbraw/zinc/97/53/78/1083975378.db2.gz YOMAVSQLQGOOPY-DNVCBOLYSA-N 0 3 312.413 2.369 20 10 DECDHN O=C(N1CCCC12CC2)[C@@]12C[C@@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC001277447016 1083975385 /nfs/dbraw/zinc/97/53/85/1083975385.db2.gz YOMAVSQLQGOOPY-DNVCBOLYSA-N 0 3 312.413 2.369 20 10 DECDHN Cc1ccc(C[NH2+]C23CC(C(=O)N4CCCCO4)(C2)C3)c([O-])c1 ZINC001277567815 1084039393 /nfs/dbraw/zinc/03/93/93/1084039393.db2.gz QCSRTSJKIJITCO-UHFFFAOYSA-N 0 3 316.401 2.267 20 10 DECDHN CC[C@H](C)N1CC[C@]2(CCCN2Cc2ccc(O)cc2O)C1=O ZINC001272982110 1085776767 /nfs/dbraw/zinc/77/67/67/1085776767.db2.gz FJXFERDHTJMKLH-SCLBCKFNSA-N 0 3 318.417 2.463 20 10 DECDHN CNC(=O)[C@@H]1CC12CC[NH+](Cc1c(C)cc(OC)cc1[O-])CC2 ZINC001274660470 1091355878 /nfs/dbraw/zinc/35/58/78/1091355878.db2.gz MMCYAYFMTQNZBH-HNNXBMFYSA-N 0 3 318.417 2.057 20 10 DECDHN C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cc(C(=O)[O-])ccc1O)C2 ZINC001276055875 1091496597 /nfs/dbraw/zinc/49/65/97/1091496597.db2.gz PRZZIWWFHFQPAX-QGZVFWFLSA-N 0 3 304.390 2.008 20 10 DECDHN C[N@H+]1CC[C@@]2(C1)CCCN(Cc1cc(C(=O)[O-])ccc1O)C2 ZINC001276055875 1091496602 /nfs/dbraw/zinc/49/66/02/1091496602.db2.gz PRZZIWWFHFQPAX-QGZVFWFLSA-N 0 3 304.390 2.008 20 10 DECDHN Cc1ccc(O)c(CN2CC3(C2)CCN(C(=O)NC(C)C)C3)c1 ZINC001275313164 1091664679 /nfs/dbraw/zinc/66/46/79/1091664679.db2.gz BYIFHDBATBEGPW-UHFFFAOYSA-N 0 3 317.433 2.326 20 10 DECDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1cn[nH]c1 ZINC001275909022 1092293264 /nfs/dbraw/zinc/29/32/64/1092293264.db2.gz NTCHTJNZWZDORV-HOTGVXAUSA-N 0 3 316.380 2.103 20 10 DECDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1cn[nH]c1 ZINC001275909022 1092293271 /nfs/dbraw/zinc/29/32/71/1092293271.db2.gz NTCHTJNZWZDORV-HOTGVXAUSA-N 0 3 316.380 2.103 20 10 DECDHN Cc1ccc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N(C)C)c([O-])c1 ZINC001277566873 1138330471 /nfs/dbraw/zinc/33/04/71/1138330471.db2.gz CMJJOGSWHZZBCB-OSRSDYAFSA-N 0 3 302.418 2.293 20 10 DECDHN CCOC(=O)CN(CCC[NH3+])Cc1cc(Cl)c(C)cc1[O-] ZINC001236304447 1138348908 /nfs/dbraw/zinc/34/89/08/1138348908.db2.gz VZTPPQHSMTVTIM-UHFFFAOYSA-N 0 3 314.813 2.068 20 10 DECDHN CC[NH+]1C[C@@H]2CN(Cc3c([O-])cc(OC)cc3Cl)C[C@H]2C1 ZINC001236806545 1138434040 /nfs/dbraw/zinc/43/40/40/1138434040.db2.gz YCCJTXMBTQZERQ-VXGBXAGGSA-N 0 3 310.825 2.438 20 10 DECDHN COc1cc(C)c(CN2CC(N3CCC(F)CC3)C2)c(O)c1 ZINC001236812027 1138436998 /nfs/dbraw/zinc/43/69/98/1138436998.db2.gz YCLVKOZANOSXRN-UHFFFAOYSA-N 0 3 308.397 2.327 20 10 DECDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2CO)cc1Br ZINC001237678199 1138752080 /nfs/dbraw/zinc/75/20/80/1138752080.db2.gz WVMZJSQHNCOREK-LLVKDONJSA-N 0 3 300.196 2.420 20 10 DECDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]2CO)cc1Br ZINC001237678199 1138752119 /nfs/dbraw/zinc/75/21/19/1138752119.db2.gz WVMZJSQHNCOREK-LLVKDONJSA-N 0 3 300.196 2.420 20 10 DECDHN Cc1cc([O-])c(C[N@H+]2C[C@H](C)[C@H](O)C2)cc1Br ZINC001237677423 1138754014 /nfs/dbraw/zinc/75/40/14/1138754014.db2.gz MYECUJHDFDNXCO-TVQRCGJNSA-N 0 3 300.196 2.276 20 10 DECDHN Cc1cc([O-])c(C[N@@H+]2C[C@H](C)[C@H](O)C2)cc1Br ZINC001237677423 1138754023 /nfs/dbraw/zinc/75/40/23/1138754023.db2.gz MYECUJHDFDNXCO-TVQRCGJNSA-N 0 3 300.196 2.276 20 10 DECDHN Cc1cc(F)cc(CN2CC[C@@H](Oc3ncc(F)cn3)C2)c1O ZINC001238067393 1138819510 /nfs/dbraw/zinc/81/95/10/1138819510.db2.gz SWYCKTYMFCNVRN-CQSZACIVSA-N 0 3 321.327 2.422 20 10 DECDHN Cc1cc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c([O-])cc1Br ZINC001250120633 1142084195 /nfs/dbraw/zinc/08/41/95/1142084195.db2.gz LEFVCKBKFPQRPG-ZANVPECISA-N 0 3 300.196 2.276 20 10 DECDHN Cc1cc(CN2C[C@H](O)[C@@H](C)C2)c(O)cc1Br ZINC001250120633 1142084186 /nfs/dbraw/zinc/08/41/86/1142084186.db2.gz LEFVCKBKFPQRPG-ZANVPECISA-N 0 3 300.196 2.276 20 10 DECDHN Cc1cc(C[N@H+]2C[C@H](O)[C@@H](C)C2)c([O-])cc1Br ZINC001250120633 1142084204 /nfs/dbraw/zinc/08/42/04/1142084204.db2.gz LEFVCKBKFPQRPG-ZANVPECISA-N 0 3 300.196 2.276 20 10 DECDHN COc1cc(CN(C)Cc2ccc(C(N)=O)cc2)c(O)cc1C ZINC001337000916 1142652752 /nfs/dbraw/zinc/65/27/52/1142652752.db2.gz HZUUKSALPHFVCB-UHFFFAOYSA-N 0 3 314.385 2.440 20 10 DECDHN [O-]c1cc(O)ccc1C[NH2+]C[C@H](O)CCOCc1ccccc1 ZINC001253294143 1142861926 /nfs/dbraw/zinc/86/19/26/1142861926.db2.gz PJQWGIPLJRAXFJ-QGZVFWFLSA-N 0 3 317.385 2.155 20 10 DECDHN O=C(NCc1c([O-])cccc1F)c1cccn1C1CC[NH2+]CC1 ZINC001341010771 1143523807 /nfs/dbraw/zinc/52/38/07/1143523807.db2.gz BDCAKEQLXGXYFX-UHFFFAOYSA-N 0 3 317.364 2.187 20 10 DECDHN CCOc1ccc(N2CCN(CCn3ccnc3C)CC2)cc1 ZINC001341422722 1143599465 /nfs/dbraw/zinc/59/94/65/1143599465.db2.gz CZOBOUJRCASODC-UHFFFAOYSA-N 0 3 314.433 2.412 20 10 DECDHN CC[C@@H](C)C[C@@H](N)C(=O)NCc1ccc2c(c1)CCCN2C ZINC001341677392 1143662519 /nfs/dbraw/zinc/66/25/19/1143662519.db2.gz NGZWCSFEHBXMLE-CZUORRHYSA-N 0 3 303.450 2.449 20 10 DECDHN COc1ccc(CNCc2ccc[nH]c2=O)cc1Cn1cccn1 ZINC001308482300 1147474646 /nfs/dbraw/zinc/47/46/46/1147474646.db2.gz LAFLGUGBOCYXQP-UHFFFAOYSA-N 0 3 324.384 2.330 20 10 DECDHN CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000183414452 283368963 /nfs/dbraw/zinc/36/89/63/283368963.db2.gz HXKRCYUXRNHZAD-AWEZNQCLSA-N 0 3 319.449 2.033 20 10 DECDHN Cn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2cc(F)ccc2[O-])cn1 ZINC000275529098 130329629 /nfs/dbraw/zinc/32/96/29/130329629.db2.gz LSPCPBPXQWVAEX-GOEBONIOSA-N 0 3 305.353 2.275 20 10 DECDHN CS(=O)(=O)C1(CNCc2ccc3c(c2)CCO3)CCCC1 ZINC000285565640 131181761 /nfs/dbraw/zinc/18/17/61/131181761.db2.gz SYLSSTOIOJVXKM-UHFFFAOYSA-N 0 3 309.431 2.069 20 10 DECDHN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)CN(C)C)cc1 ZINC000287044987 131261710 /nfs/dbraw/zinc/26/17/10/131261710.db2.gz DJJSKLQCUPQWNN-AWEZNQCLSA-N 0 3 306.454 2.282 20 10 DECDHN CC[N@H+](CCCN(C)C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000289393022 131383068 /nfs/dbraw/zinc/38/30/68/131383068.db2.gz FHVUXDLXPFMXLZ-UHFFFAOYSA-N 0 3 311.382 2.083 20 10 DECDHN CC[N@@H+](CCCN(C)C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000289393022 131383069 /nfs/dbraw/zinc/38/30/69/131383069.db2.gz FHVUXDLXPFMXLZ-UHFFFAOYSA-N 0 3 311.382 2.083 20 10 DECDHN CCN(CCC[NH+](C)C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000289393022 131383072 /nfs/dbraw/zinc/38/30/72/131383072.db2.gz FHVUXDLXPFMXLZ-UHFFFAOYSA-N 0 3 311.382 2.083 20 10 DECDHN NC(=O)COc1cccc(C[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000297710171 132030447 /nfs/dbraw/zinc/03/04/47/132030447.db2.gz MTBZUUGRQBCJRY-HNNXBMFYSA-N 0 3 312.369 2.033 20 10 DECDHN CCOc1cccc(CN[C@@H](C)C(=O)NCc2ccco2)c1O ZINC000111399360 401714379 /nfs/dbraw/zinc/71/43/79/401714379.db2.gz RQBQMERCQCSYBA-LBPRGKRZSA-N 0 3 318.373 2.178 20 10 DECDHN COc1ccc(N2CCN([C@@H]3Cc4ccccc4[C@H]3O)CC2)cc1 ZINC000026417424 401840577 /nfs/dbraw/zinc/84/05/77/401840577.db2.gz KRNQVHXWRABQQP-WOJBJXKFSA-N 0 3 324.424 2.476 20 10 DECDHN CCCOc1ccc(CN2CCC[C@H]2C(=O)N(C)C)c(O)c1 ZINC000122722474 402092072 /nfs/dbraw/zinc/09/20/72/402092072.db2.gz DYROUNSOHCKNDJ-HNNXBMFYSA-N 0 3 306.406 2.234 20 10 DECDHN CCCN(CC(=O)NCc1cccnc1)Cc1ccccc1O ZINC000109836028 402277115 /nfs/dbraw/zinc/27/71/15/402277115.db2.gz IAXIQWGINQHFQY-UHFFFAOYSA-N 0 3 313.401 2.316 20 10 DECDHN CC(C)[C@@H](C(=O)NCCc1ccc(N)cc1)N1CCCCC1 ZINC000236661115 402372366 /nfs/dbraw/zinc/37/23/66/402372366.db2.gz VBIUCHNPGLNPFF-KRWDZBQOSA-N 0 3 303.450 2.438 20 10 DECDHN CCO[C@@H]1C[C@](CO)(NCc2ccc3c(c2)CCO3)C1(C)C ZINC000186594029 402445790 /nfs/dbraw/zinc/44/57/90/402445790.db2.gz IGOGJZSPVYFDFR-SJLPKXTDSA-N 0 3 305.418 2.277 20 10 DECDHN Cc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c([O-])c1O ZINC000179520748 402593607 /nfs/dbraw/zinc/59/36/07/402593607.db2.gz HYZLVAGEJZXTFH-AWEZNQCLSA-N 0 3 318.417 2.354 20 10 DECDHN CC[N@H+](C)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000278332500 402863089 /nfs/dbraw/zinc/86/30/89/402863089.db2.gz ZIYOWBOWGGOASO-LBPRGKRZSA-N 0 3 323.393 2.083 20 10 DECDHN CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000278332500 402863091 /nfs/dbraw/zinc/86/30/91/402863091.db2.gz ZIYOWBOWGGOASO-LBPRGKRZSA-N 0 3 323.393 2.083 20 10 DECDHN CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000281276174 403062408 /nfs/dbraw/zinc/06/24/08/403062408.db2.gz OBYGCXQMOKDLGD-KRWDZBQOSA-N 0 3 307.390 2.184 20 10 DECDHN CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000281276174 403062409 /nfs/dbraw/zinc/06/24/09/403062409.db2.gz OBYGCXQMOKDLGD-KRWDZBQOSA-N 0 3 307.390 2.184 20 10 DECDHN CCN(C)c1ccc([C@@H](C)NC[C@H]2CN(C)CCN2C)cc1 ZINC000268908224 403121173 /nfs/dbraw/zinc/12/11/73/403121173.db2.gz MJCZUCVQHVATSJ-QAPCUYQASA-N 0 3 304.482 2.039 20 10 DECDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269624262 403151357 /nfs/dbraw/zinc/15/13/57/403151357.db2.gz CADAGMDBHOSXPP-MRXNPFEDSA-N 0 3 302.330 2.466 20 10 DECDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269624262 403151359 /nfs/dbraw/zinc/15/13/59/403151359.db2.gz CADAGMDBHOSXPP-MRXNPFEDSA-N 0 3 302.330 2.466 20 10 DECDHN CCOCc1cc(CNCC2([S@](C)=O)CC2)ccc1OC ZINC000282424570 403152544 /nfs/dbraw/zinc/15/25/44/403152544.db2.gz QZKRZBGZGGCQQN-NRFANRHFSA-N 0 3 311.447 2.232 20 10 DECDHN CCC[C@H](C)C(=O)NCC[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000293868094 403586469 /nfs/dbraw/zinc/58/64/69/403586469.db2.gz IRYYGBDQYODXOY-LBPRGKRZSA-N 0 3 324.421 2.051 20 10 DECDHN C[C@H]1CN(C(=O)c2cccc(O)c2[O-])CC[N@@H+](C2CCC2)C1 ZINC000293768057 403558952 /nfs/dbraw/zinc/55/89/52/403558952.db2.gz VADNGNUYHRWWHQ-GFCCVEGCSA-N 0 3 304.390 2.044 20 10 DECDHN C[C@H]1CN(C(=O)c2cccc(O)c2[O-])CC[N@H+](C2CCC2)C1 ZINC000293768057 403558955 /nfs/dbraw/zinc/55/89/55/403558955.db2.gz VADNGNUYHRWWHQ-GFCCVEGCSA-N 0 3 304.390 2.044 20 10 DECDHN Cc1cc(C)c([C@@H](C)[NH2+][C@@H](C)CN2CCN(C)CC2)c([O-])c1 ZINC000293937807 403603834 /nfs/dbraw/zinc/60/38/34/403603834.db2.gz YJTBAOHKACNIFI-JKSUJKDBSA-N 0 3 305.466 2.296 20 10 DECDHN CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]Cc2ccccc2[O-])C1 ZINC000296207216 404143322 /nfs/dbraw/zinc/14/33/22/404143322.db2.gz DGJHULKBCCOREK-AWEZNQCLSA-N 0 3 322.405 2.118 20 10 DECDHN COc1cc([O-])c(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)cc1OC ZINC000290559454 404220308 /nfs/dbraw/zinc/22/03/08/404220308.db2.gz SGJRZQXVHYBHQO-GXTWGEPZSA-N 0 3 308.422 2.181 20 10 DECDHN COc1cc([O-])c(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)cc1OC ZINC000290559454 404220314 /nfs/dbraw/zinc/22/03/14/404220314.db2.gz SGJRZQXVHYBHQO-GXTWGEPZSA-N 0 3 308.422 2.181 20 10 DECDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c1 ZINC000363869452 404232737 /nfs/dbraw/zinc/23/27/37/404232737.db2.gz RBUKLGVQPOSYPQ-KBPBESRZSA-N 0 3 300.406 2.364 20 10 DECDHN C[C@@H]1C[C@@H](NCc2ccc(N3CCC(O)CC3)c(F)c2)[C@@H](C)O1 ZINC000296505810 404279303 /nfs/dbraw/zinc/27/93/03/404279303.db2.gz RFLFDJIAUTYSGL-PBFPGSCMSA-N 0 3 322.424 2.442 20 10 DECDHN COc1cccc(CN(C)CCNC(=O)OC(C)(C)C)c1O ZINC000296513732 404286271 /nfs/dbraw/zinc/28/62/71/404286271.db2.gz KGVJJBMACQEDPC-UHFFFAOYSA-N 0 3 310.394 2.357 20 10 DECDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000296617067 404311155 /nfs/dbraw/zinc/31/11/55/404311155.db2.gz WPOIMWVHOQMRSD-JZIBPQBNSA-N 0 3 318.417 2.455 20 10 DECDHN CCOc1cccc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)c1[O-] ZINC000291458689 404387164 /nfs/dbraw/zinc/38/71/64/404387164.db2.gz DADIUYDIPWJMNX-GDBMZVCRSA-N 0 3 320.433 2.086 20 10 DECDHN CCOc1cccc(C[N@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)c1[O-] ZINC000291458689 404387170 /nfs/dbraw/zinc/38/71/70/404387170.db2.gz DADIUYDIPWJMNX-GDBMZVCRSA-N 0 3 320.433 2.086 20 10 DECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000370703906 404404685 /nfs/dbraw/zinc/40/46/85/404404685.db2.gz VHNWAAUEKXHFLR-AEFFLSMTSA-N 0 3 317.477 2.158 20 10 DECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000370703906 404404705 /nfs/dbraw/zinc/40/47/05/404404705.db2.gz VHNWAAUEKXHFLR-AEFFLSMTSA-N 0 3 317.477 2.158 20 10 DECDHN COc1c([O-])c(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000365821535 404726759 /nfs/dbraw/zinc/72/67/59/404726759.db2.gz LGGTYWWYMGGKSK-CHWSQXEVSA-N 0 3 321.377 2.025 20 10 DECDHN COc1c([O-])c(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000365821535 404726760 /nfs/dbraw/zinc/72/67/60/404726760.db2.gz LGGTYWWYMGGKSK-CHWSQXEVSA-N 0 3 321.377 2.025 20 10 DECDHN COc1cccc(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)c1[O-] ZINC000293564304 278012302 /nfs/dbraw/zinc/01/23/02/278012302.db2.gz GJWUJFHQKXYDDK-KRWDZBQOSA-N 0 3 321.417 2.058 20 10 DECDHN C[C@@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000186585556 278231862 /nfs/dbraw/zinc/23/18/62/278231862.db2.gz PEUMHQKIXLCUGJ-KBPBESRZSA-N 0 3 309.429 2.208 20 10 DECDHN C[C@H](CN1CCN(C)CC1)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185391918 333208014 /nfs/dbraw/zinc/20/80/14/333208014.db2.gz XSRBGIJAIMQYCE-CHWSQXEVSA-N 0 3 311.857 2.332 20 10 DECDHN CC1(C)[C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)[C@H]2CCCO[C@@H]21 ZINC000360035890 337084233 /nfs/dbraw/zinc/08/42/33/337084233.db2.gz LJQXUCPSDRSAHV-LYRGGWFBSA-N 0 3 305.374 2.414 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@H](C)[C@@H](CO)SC)c1[O-] ZINC000230934740 533952193 /nfs/dbraw/zinc/95/21/93/533952193.db2.gz PNEKJTXXUKUFMD-PRHODGIISA-N 0 3 305.827 2.256 20 10 DECDHN CC[C@H](CO)N1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835029260 649869033 /nfs/dbraw/zinc/86/90/33/649869033.db2.gz RWODLWNBRZDIOP-OOFWQKGWSA-N 0 3 317.477 2.154 20 10 DECDHN CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000188040706 519290422 /nfs/dbraw/zinc/29/04/22/519290422.db2.gz PGCJHKUFCYYLGY-QGZVFWFLSA-N 0 3 307.390 2.494 20 10 DECDHN CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000188040706 519290427 /nfs/dbraw/zinc/29/04/27/519290427.db2.gz PGCJHKUFCYYLGY-QGZVFWFLSA-N 0 3 307.390 2.494 20 10 DECDHN COc1cc(O)c(CN2CCC(n3ccnc3)CC2)cc1OC ZINC000160240066 522771799 /nfs/dbraw/zinc/77/17/99/522771799.db2.gz IIHLKVPTRAMJRE-UHFFFAOYSA-N 0 3 317.389 2.443 20 10 DECDHN C[C@H](NCCn1ccnc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000155668737 525375946 /nfs/dbraw/zinc/37/59/46/525375946.db2.gz VPLPPFVAIORTBQ-AWEZNQCLSA-N 0 3 318.396 2.210 20 10 DECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000180086854 526349633 /nfs/dbraw/zinc/34/96/33/526349633.db2.gz NDHWDRRASKLMRY-LBPRGKRZSA-N 0 3 316.380 2.449 20 10 DECDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000180086854 526349638 /nfs/dbraw/zinc/34/96/38/526349638.db2.gz NDHWDRRASKLMRY-LBPRGKRZSA-N 0 3 316.380 2.449 20 10 DECDHN OCC1CCN(c2ccc(CNCC3=CCCOC3)cc2)CC1 ZINC000126747252 527529212 /nfs/dbraw/zinc/52/92/12/527529212.db2.gz XCBFGUUNXWDMHU-UHFFFAOYSA-N 0 3 316.445 2.332 20 10 DECDHN CC1([C@@H]2CCC[N@H+](Cc3cc4c(cc3[O-])OCO4)C2)OCCO1 ZINC000272925987 535206067 /nfs/dbraw/zinc/20/60/67/535206067.db2.gz HIAPSGYDEHIHBG-CYBMUJFWSA-N 0 3 321.373 2.096 20 10 DECDHN CC1([C@@H]2CCC[N@@H+](Cc3cc4c(cc3[O-])OCO4)C2)OCCO1 ZINC000272925987 535206069 /nfs/dbraw/zinc/20/60/69/535206069.db2.gz HIAPSGYDEHIHBG-CYBMUJFWSA-N 0 3 321.373 2.096 20 10 DECDHN COc1cc([O-])c(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)cc1OC ZINC000273123677 536856801 /nfs/dbraw/zinc/85/68/01/536856801.db2.gz ADEXIUFTQFEOOL-DLBZAZTESA-N 0 3 307.390 2.457 20 10 DECDHN CC(C)N1CC[C@H](NC/C=C\c2ccc(N(C)C)cc2)C1=O ZINC000835040048 649870275 /nfs/dbraw/zinc/87/02/75/649870275.db2.gz MZAVGVOPSCWADV-OSJSJHBBSA-N 0 3 301.434 2.365 20 10 DECDHN CCOc1cccc(CN[C@H]2C[C@H]3CCCCN3C2=O)c1O ZINC000835074533 649875282 /nfs/dbraw/zinc/87/52/82/649875282.db2.gz RPKSTVQYDRSXKY-KGLIPLIRSA-N 0 3 304.390 2.034 20 10 DECDHN O=C(NCc1c([O-])cccc1F)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000922203830 635994691 /nfs/dbraw/zinc/99/46/91/635994691.db2.gz DXPRFGVIFUIGIO-ZDUSSCGKSA-N 0 3 321.396 2.347 20 10 DECDHN O=C(NCc1c([O-])cccc1F)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000922203830 635994694 /nfs/dbraw/zinc/99/46/94/635994694.db2.gz DXPRFGVIFUIGIO-ZDUSSCGKSA-N 0 3 321.396 2.347 20 10 DECDHN Cc1nc([C@@H]2OCC[C@@H]2C[NH2+]Cc2c([O-])cccc2Cl)n[nH]1 ZINC000922408577 636161006 /nfs/dbraw/zinc/16/10/06/636161006.db2.gz AIGWFKKNSXWTAB-QMTHXVAHSA-N 0 3 322.796 2.340 20 10 DECDHN CCN1CCC[C@H](NC/C=C\c2ccc(N(C)C)cc2)C1=O ZINC000922639328 636290172 /nfs/dbraw/zinc/29/01/72/636290172.db2.gz NNKSNVNNRVHGPL-WVRJYTFGSA-N 0 3 301.434 2.366 20 10 DECDHN COC(=O)c1c(CNC[C@H]2CCCO2)c2cc(F)ccc2n1C ZINC000894146220 636295561 /nfs/dbraw/zinc/29/55/61/636295561.db2.gz QEKYLIYRLGEWRC-GFCCVEGCSA-N 0 3 320.364 2.373 20 10 DECDHN COC(=O)c1c(CN[C@@H]2CCC[C@H]2O)c2cc(F)ccc2n1C ZINC000894970196 637349978 /nfs/dbraw/zinc/34/99/78/637349978.db2.gz SZFLMJNFFJDPLJ-UKRRQHHQSA-N 0 3 320.364 2.107 20 10 DECDHN CN1CCN(c2ccc(CNc3nccn4cncc34)cc2)CC1 ZINC000895145702 637663401 /nfs/dbraw/zinc/66/34/01/637663401.db2.gz YGAMRQODNHSXFX-UHFFFAOYSA-N 0 3 322.416 2.093 20 10 DECDHN CCOC[C@H](C)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146670 637788752 /nfs/dbraw/zinc/78/87/52/637788752.db2.gz QEFUUGJUQCQWMI-LBPRGKRZSA-N 0 3 314.376 2.316 20 10 DECDHN Fc1cc(CNCC2=CCCOC2)cc(F)c1N1CCOCC1 ZINC000839146868 637789148 /nfs/dbraw/zinc/78/91/48/637789148.db2.gz YJVVNIQBFBOXJX-UHFFFAOYSA-N 0 3 324.371 2.238 20 10 DECDHN C[C@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1cc(F)ccc1[O-] ZINC000840889495 650371953 /nfs/dbraw/zinc/37/19/53/650371953.db2.gz HCVCVCYYDTYHEJ-NSHDSACASA-N 0 3 315.410 2.397 20 10 DECDHN CCOc1ccc(C[NH2+]C(C)(C)CCS(C)(=O)=O)c([O-])c1 ZINC000742387505 638067337 /nfs/dbraw/zinc/06/73/37/638067337.db2.gz CCQVWAGPLBCPQL-UHFFFAOYSA-N 0 3 315.435 2.094 20 10 DECDHN CN(C)c1ccc(CN2CCC3(CC2)C[C@H](O)CCO3)cc1F ZINC000897261273 639293921 /nfs/dbraw/zinc/29/39/21/639293921.db2.gz ZALVLNWLVLCVRU-OAHLLOKOSA-N 0 3 322.424 2.398 20 10 DECDHN C[C@@H]1C[C@H](N[C@@H](CO)c2cnn(C)c2)c2c1c(F)ccc2O ZINC000756775002 639693867 /nfs/dbraw/zinc/69/38/67/639693867.db2.gz GHRCTEGWCSTKDT-ICCXJUOJSA-N 0 3 305.353 2.136 20 10 DECDHN CCCN1CCC[C@H]1C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000761967328 640367219 /nfs/dbraw/zinc/36/72/19/640367219.db2.gz LZWTUHVFYXTPLT-DOMZBBRYSA-N 0 3 306.406 2.452 20 10 DECDHN C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cc([O-])cs1 ZINC000769336258 641219947 /nfs/dbraw/zinc/21/99/47/641219947.db2.gz GDBRJAMIPRYDAW-UHFFFAOYSA-N 0 3 305.403 2.053 20 10 DECDHN CCOCCCNC(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774484712 641908848 /nfs/dbraw/zinc/90/88/48/641908848.db2.gz PUKFOTWULMGVIO-HUUCEWRRSA-N 0 3 321.465 2.335 20 10 DECDHN CCCN(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899103254 641934699 /nfs/dbraw/zinc/93/46/99/641934699.db2.gz YJRGIGNVYLNQHJ-INIZCTEOSA-N 0 3 306.454 2.407 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC(C)(C)C2)N(C)C)cc1 ZINC000899105259 641936189 /nfs/dbraw/zinc/93/61/89/641936189.db2.gz VYYPGZNLTLSKGO-MRXNPFEDSA-N 0 3 318.465 2.407 20 10 DECDHN C[C@@H](NCC(=O)NCc1ccccn1)c1ccc(N(C)C)cc1 ZINC000775834327 642103291 /nfs/dbraw/zinc/10/32/91/642103291.db2.gz RLYZEJWSGKYYQT-CQSZACIVSA-N 0 3 312.417 2.115 20 10 DECDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c1[O-] ZINC000776221909 642145504 /nfs/dbraw/zinc/14/55/04/642145504.db2.gz XEPKJNAAFBNFDI-FZZIBODNSA-N 0 3 308.809 2.453 20 10 DECDHN C[C@@H]1C[C@H]([NH2+]CCN2CCCOCC2)c2c1c(F)ccc2[O-] ZINC000903225746 643288268 /nfs/dbraw/zinc/28/82/68/643288268.db2.gz AGEUKVDEJCFZTO-OCCSQVGLSA-N 0 3 308.397 2.392 20 10 DECDHN C[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccn(C)n1 ZINC000903447763 643354761 /nfs/dbraw/zinc/35/47/61/643354761.db2.gz CEPGSHBEVLMOSE-KDOFPFPSSA-N 0 3 315.465 2.440 20 10 DECDHN C[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ncc[nH]1 ZINC000903448190 643354840 /nfs/dbraw/zinc/35/48/40/643354840.db2.gz LWAOQEKCENEUQK-CJNGLKHVSA-N 0 3 301.438 2.429 20 10 DECDHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)N1CCCCC1 ZINC000907271654 644487223 /nfs/dbraw/zinc/48/72/23/644487223.db2.gz BRUSCOZOGRMMBX-CYBMUJFWSA-N 0 3 320.433 2.410 20 10 DECDHN CCCC[N@H+](CCC(=O)N1CCOCC1)Cc1ccccc1[O-] ZINC000801596044 645421443 /nfs/dbraw/zinc/42/14/43/645421443.db2.gz MYWWVJCJWHAKQS-UHFFFAOYSA-N 0 3 320.433 2.243 20 10 DECDHN CCCC[N@@H+](CCC(=O)N1CCOCC1)Cc1ccccc1[O-] ZINC000801596044 645421444 /nfs/dbraw/zinc/42/14/44/645421444.db2.gz MYWWVJCJWHAKQS-UHFFFAOYSA-N 0 3 320.433 2.243 20 10 DECDHN CCOc1ccc(C[NH2+][C@@H]2COc3ccccc3[C@@H]2O)c([O-])c1 ZINC000808454277 646087994 /nfs/dbraw/zinc/08/79/94/646087994.db2.gz OCRQYGSHNRSVBZ-QAPCUYQASA-N 0 3 315.369 2.375 20 10 DECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](O)c2cnn(C)c2)c1[O-] ZINC000808699344 646130021 /nfs/dbraw/zinc/13/00/21/646130021.db2.gz WYNNOPQSLCKLSP-QMTHXVAHSA-N 0 3 309.797 2.472 20 10 DECDHN CCN1CCN(Cc2ccc(N3CCOCC3)c(F)c2)[C@H](C)C1 ZINC000809698450 646265573 /nfs/dbraw/zinc/26/55/73/646265573.db2.gz YVLCITIYMKTBHM-OAHLLOKOSA-N 0 3 321.440 2.188 20 10 DECDHN O=C1C[C@@H]([NH2+]Cc2ccccc2[O-])CN1c1ccccc1F ZINC000812782686 646694477 /nfs/dbraw/zinc/69/44/77/646694477.db2.gz DJEOYDUIEGQZAF-CYBMUJFWSA-N 0 3 300.333 2.426 20 10 DECDHN C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1c([O-])cccc1F ZINC000914080237 647148334 /nfs/dbraw/zinc/14/83/34/647148334.db2.gz BDEPTULIFHQBPG-LBPRGKRZSA-N 0 3 309.385 2.205 20 10 DECDHN CCOc1ccc(C[N@@H+]2CC[C@H](CN3CCOC3=O)C2)c([O-])c1 ZINC000824451312 648590883 /nfs/dbraw/zinc/59/08/83/648590883.db2.gz RVRDGPHMUSNKTH-ZDUSSCGKSA-N 0 3 320.389 2.065 20 10 DECDHN CCOc1ccc(C[N@H+]2CC[C@H](CN3CCOC3=O)C2)c([O-])c1 ZINC000824451312 648590887 /nfs/dbraw/zinc/59/08/87/648590887.db2.gz RVRDGPHMUSNKTH-ZDUSSCGKSA-N 0 3 320.389 2.065 20 10 DECDHN Cc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c1[O-] ZINC000824501997 648598600 /nfs/dbraw/zinc/59/86/00/648598600.db2.gz WLXXARGHHPXUEM-CABCVRRESA-N 0 3 310.825 2.259 20 10 DECDHN Cc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c1[O-] ZINC000824501997 648598607 /nfs/dbraw/zinc/59/86/07/648598607.db2.gz WLXXARGHHPXUEM-CABCVRRESA-N 0 3 310.825 2.259 20 10 DECDHN C[N@@H+]1C[C@H]2CCN(Cc3ccc(Br)cc3[O-])[C@@H]2C1 ZINC000825967137 648831979 /nfs/dbraw/zinc/83/19/79/648831979.db2.gz FHUAFARIBVTKSL-ZWNOBZJWSA-N 0 3 311.223 2.291 20 10 DECDHN C[N@H+]1C[C@H]2CCN(Cc3ccc(Br)cc3[O-])[C@@H]2C1 ZINC000825967137 648831981 /nfs/dbraw/zinc/83/19/81/648831981.db2.gz FHUAFARIBVTKSL-ZWNOBZJWSA-N 0 3 311.223 2.291 20 10 DECDHN COc1cc(CN2CCC(O)(CO)CC2)c(O)c(C(C)(C)C)c1 ZINC000827139750 648980641 /nfs/dbraw/zinc/98/06/41/648980641.db2.gz DSOVAAYMCQCGEZ-UHFFFAOYSA-N 0 3 323.433 2.018 20 10 DECDHN O=C(Nc1cccc(N2CCOCC2)c1)c1ccc2c(c1)CNC2 ZINC000827473079 649039405 /nfs/dbraw/zinc/03/94/05/649039405.db2.gz CVEYCWHGJMRCLG-UHFFFAOYSA-N 0 3 323.396 2.379 20 10 DECDHN [O-]c1cc2c(cc1C[NH+]1CCC3(CC3(F)F)CC1)[C@H](O)CO2 ZINC000844730764 651161951 /nfs/dbraw/zinc/16/19/51/651161951.db2.gz ZHCOODSHKKRQHU-CYBMUJFWSA-N 0 3 311.328 2.439 20 10 DECDHN Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]Cc1cc(F)ccc1[O-] ZINC000846123436 651309319 /nfs/dbraw/zinc/30/93/19/651309319.db2.gz RUOQBBRLUMSRTF-CQSZACIVSA-N 0 3 302.349 2.397 20 10 DECDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](C)O)c1[O-] ZINC000848514717 651465412 /nfs/dbraw/zinc/46/54/12/651465412.db2.gz PILKFQVGCTTZPT-JGVFFNPUSA-N 0 3 304.184 2.195 20 10 DECDHN CC(=O)c1cc(F)cc(CN2CC3CCC2(C[NH3+])CC3)c1[O-] ZINC000848601510 651477401 /nfs/dbraw/zinc/47/74/01/651477401.db2.gz ZRJNWVLJKDPNNC-UHFFFAOYSA-N 0 3 306.381 2.437 20 10 DECDHN COc1cc(Br)cc(C[NH2+][C@@H]2C[C@]2(C)OC)c1[O-] ZINC000850409280 651922847 /nfs/dbraw/zinc/92/28/47/651922847.db2.gz PCXAZULBHQMTKY-YPMHNXCESA-N 0 3 316.195 2.430 20 10 DECDHN O=[S@](CC[NH2+][C@@H]1CCc2cccc([O-])c21)CC(F)(F)F ZINC000850495201 651939757 /nfs/dbraw/zinc/93/97/57/651939757.db2.gz YGNKMQARPRPSIR-CFMSYZGJSA-N 0 3 307.337 2.280 20 10 DECDHN CCO[C@@H]1COCC[C@@H]1NCc1cc(F)c(N(C)C)cc1F ZINC000858157562 652268967 /nfs/dbraw/zinc/26/89/67/652268967.db2.gz ZUALDYRHISILGB-GOEBONIOSA-N 0 3 314.376 2.314 20 10 DECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000858231046 652285269 /nfs/dbraw/zinc/28/52/69/652285269.db2.gz JIBFPHDDIJYRGS-NSHDSACASA-N 0 3 300.349 2.220 20 10 DECDHN O=c1[nH]cccc1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000858304327 652300481 /nfs/dbraw/zinc/30/04/81/652300481.db2.gz NPSLSPXIVUQYOX-UHFFFAOYSA-N 0 3 317.364 2.053 20 10 DECDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H]3C[C@H]3C2)cc1 ZINC000852636320 652431174 /nfs/dbraw/zinc/43/11/74/652431174.db2.gz RQDJYRPQOHUJOH-HOTGVXAUSA-N 0 3 301.434 2.053 20 10 DECDHN Oc1cc2c(cc1CN1CCN([C@@H]3CCOC3)CC1)CCCC2 ZINC000853552489 652567156 /nfs/dbraw/zinc/56/71/56/652567156.db2.gz GULYJAYMSBPPRQ-GOSISDBHSA-N 0 3 316.445 2.178 20 10 DECDHN Cc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC000038635158 683887886 /nfs/dbraw/zinc/88/78/86/683887886.db2.gz BGZZEWQVIMFWAX-INIZCTEOSA-N 0 3 316.405 2.082 20 10 DECDHN O[C@H]1Cc2ccccc2[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000085334252 684009325 /nfs/dbraw/zinc/00/93/25/684009325.db2.gz RKFFKTIIHQYTBU-PMACEKPBSA-N 0 3 324.424 2.271 20 10 DECDHN CN(C)c1ccc(CN2CCC[C@@H](CCC(N)=O)C2)cc1F ZINC000122700826 684117881 /nfs/dbraw/zinc/11/78/81/684117881.db2.gz ICQRAYVCOLKPDB-ZDUSSCGKSA-N 0 3 307.413 2.369 20 10 DECDHN COC(=O)c1ccc(CNCc2ccc(N(C)C)cc2C)n1C ZINC000873052859 689149079 /nfs/dbraw/zinc/14/90/79/689149079.db2.gz YGNVEZKWWGERKQ-UHFFFAOYSA-N 0 3 315.417 2.476 20 10 DECDHN CCN1CC[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033700401 689588668 /nfs/dbraw/zinc/58/86/68/689588668.db2.gz YAFLKJZVDLWHPM-CYBMUJFWSA-N 0 3 303.366 2.015 20 10 DECDHN COc1ccnc(N2CCN(Cc3ccc(C)cc3O)CC2)c1 ZINC000876688974 689903823 /nfs/dbraw/zinc/90/38/23/689903823.db2.gz RBNKXSFQQHWWOQ-UHFFFAOYSA-N 0 3 313.401 2.426 20 10 DECDHN Cc1ccc(CNCc2cccnc2N2CCOCC2)c(O)c1 ZINC000876925446 689974510 /nfs/dbraw/zinc/97/45/10/689974510.db2.gz GBMKUNJEMCVNLY-UHFFFAOYSA-N 0 3 313.401 2.222 20 10 DECDHN Cc1ccc(CNCCS(=O)(=O)c2ccccc2)c(O)c1 ZINC000876963192 689984155 /nfs/dbraw/zinc/98/41/55/689984155.db2.gz GEJOFMPQIRLETI-UHFFFAOYSA-N 0 3 305.399 2.264 20 10 DECDHN Cc1ccc(C[NH2+]C[C@@H](O)COc2ccc(F)cc2)c([O-])c1 ZINC000876971543 689986921 /nfs/dbraw/zinc/98/69/21/689986921.db2.gz JMVUDMDVXGYPGY-OAHLLOKOSA-N 0 3 305.349 2.369 20 10 DECDHN Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)c([O-])c1 ZINC000877110864 690020245 /nfs/dbraw/zinc/02/02/45/690020245.db2.gz FEJVTWJBPJZIRU-SJORKVTESA-N 0 3 304.434 2.434 20 10 DECDHN CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1c(C)cccc1[O-] ZINC000877422212 690107781 /nfs/dbraw/zinc/10/77/81/690107781.db2.gz SJRCGVMQRBAXBW-KGLIPLIRSA-N 0 3 307.390 2.243 20 10 DECDHN CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1c(C)cccc1[O-] ZINC000877422212 690107782 /nfs/dbraw/zinc/10/77/82/690107782.db2.gz SJRCGVMQRBAXBW-KGLIPLIRSA-N 0 3 307.390 2.243 20 10 DECDHN Cc1cccc([O-])c1C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000877479943 690126236 /nfs/dbraw/zinc/12/62/36/690126236.db2.gz YWBNDBNWVDIYBX-MRXNPFEDSA-N 0 3 301.390 2.369 20 10 DECDHN CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000877501005 690132553 /nfs/dbraw/zinc/13/25/53/690132553.db2.gz KUUIERXYCFVJLA-GOSISDBHSA-N 0 3 321.417 2.492 20 10 DECDHN CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000877501005 690132556 /nfs/dbraw/zinc/13/25/56/690132556.db2.gz KUUIERXYCFVJLA-GOSISDBHSA-N 0 3 321.417 2.492 20 10 DECDHN Cc1cccc([O-])c1C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000877560498 690152067 /nfs/dbraw/zinc/15/20/67/690152067.db2.gz SKJHTZCUKUBUKO-LSDHHAIUSA-N 0 3 310.397 2.482 20 10 DECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000877560498 690152071 /nfs/dbraw/zinc/15/20/71/690152071.db2.gz SKJHTZCUKUBUKO-LSDHHAIUSA-N 0 3 310.397 2.482 20 10 DECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCO[C@H](c2nccn2C)C1 ZINC000877576721 690156723 /nfs/dbraw/zinc/15/67/23/690156723.db2.gz OTLKSWUYIJZKDY-CJNGLKHVSA-N 0 3 301.390 2.444 20 10 DECDHN Cc1ncc(CNC(=O)CC[N@@H+](C)Cc2ccccc2[O-])s1 ZINC000878241311 690355863 /nfs/dbraw/zinc/35/58/63/690355863.db2.gz DVEZMNNFRMFBNA-UHFFFAOYSA-N 0 3 319.430 2.295 20 10 DECDHN Cc1ncc(CNC(=O)CC[N@H+](C)Cc2ccccc2[O-])s1 ZINC000878241311 690355866 /nfs/dbraw/zinc/35/58/66/690355866.db2.gz DVEZMNNFRMFBNA-UHFFFAOYSA-N 0 3 319.430 2.295 20 10 DECDHN COCC[C@H](C)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879461623 690646524 /nfs/dbraw/zinc/64/65/24/690646524.db2.gz GUGHSJJPOMRAQV-AWEZNQCLSA-N 0 3 308.422 2.251 20 10 DECDHN CCN(CC)c1ccc(CNC(=O)[C@H](N)CC2CC2)cc1F ZINC000884213996 691684450 /nfs/dbraw/zinc/68/44/50/691684450.db2.gz RAQNICVGJWWLRF-OAHLLOKOSA-N 0 3 307.413 2.416 20 10 DECDHN C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ncco1 ZINC000886274745 692042417 /nfs/dbraw/zinc/04/24/17/692042417.db2.gz ZWXAAWFEKHCAFJ-AWEZNQCLSA-N 0 3 300.406 2.277 20 10 DECDHN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000925322762 693256289 /nfs/dbraw/zinc/25/62/89/693256289.db2.gz BNYDRIGXNFVEQR-ZFWWWQNUSA-N 0 3 305.422 2.406 20 10 DECDHN CN1CCCC[C@@H]1CNC(=O)NCc1cc(Cl)ccc1O ZINC001345390764 1150886526 /nfs/dbraw/zinc/88/65/26/1150886526.db2.gz FUMRBLFOFLCWLS-CYBMUJFWSA-N 0 3 311.813 2.329 20 10 DECDHN C[C@H](CN1CCCCC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001441176894 1181884322 /nfs/dbraw/zinc/88/43/22/1181884322.db2.gz OFBCIQHJDGGTBX-GFCCVEGCSA-N 0 3 317.393 2.453 20 10 DECDHN NC(=O)COC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC001116222015 794944861 /nfs/dbraw/zinc/94/48/61/794944861.db2.gz RJCNBGBMDBYGOT-UHFFFAOYSA-N 0 3 314.385 2.012 20 10 DECDHN Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@@H](CO)c1cnn(C)c1 ZINC001116567149 794969448 /nfs/dbraw/zinc/96/94/48/794969448.db2.gz BIYZVKONPSNQRZ-BNOWGMLFSA-N 0 3 301.390 2.306 20 10 DECDHN COCC[C@@]1(NCc2cc(F)c(N(C)C)cc2F)CCOC1 ZINC001118804369 795228478 /nfs/dbraw/zinc/22/84/78/795228478.db2.gz INILATDHWVBOJQ-MRXNPFEDSA-N 0 3 314.376 2.316 20 10 DECDHN CCOC(=O)N1CC[C@H]([NH2+]Cc2c(C)cc(OC)cc2[O-])C1 ZINC001181008645 795405117 /nfs/dbraw/zinc/40/51/17/795405117.db2.gz SWEPALXPERNPKK-LBPRGKRZSA-N 0 3 308.378 2.030 20 10 DECDHN COc1ccc(C[NH+]2CCC(NC(=O)C3CCC3)CC2)c([O-])c1 ZINC001203627431 796323604 /nfs/dbraw/zinc/32/36/04/796323604.db2.gz DBDDFOQLGCJEIT-UHFFFAOYSA-N 0 3 318.417 2.282 20 10 DECDHN CC(=O)[C@@H]1CCCCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC001139412749 796371823 /nfs/dbraw/zinc/37/18/23/796371823.db2.gz MCKKRTRVHQTEMH-IBGZPJMESA-N 0 3 315.461 2.382 20 10 DECDHN CC(=O)[C@H]1CCCCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC001139412751 796372578 /nfs/dbraw/zinc/37/25/78/796372578.db2.gz MCKKRTRVHQTEMH-LJQANCHMSA-N 0 3 315.461 2.382 20 10 DECDHN O[C@@H]1CCCCN(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140660371 796551985 /nfs/dbraw/zinc/55/19/85/796551985.db2.gz PXPFESRYKFHJKO-MRXNPFEDSA-N 0 3 308.397 2.009 20 10 DECDHN C[C@H]1CC[C@@H](CO)CN1Cc1ccc(N2CCOCC2)cc1F ZINC001140660143 796552066 /nfs/dbraw/zinc/55/20/66/796552066.db2.gz HIKJGUCWWBEIQF-LSDHHAIUSA-N 0 3 322.424 2.255 20 10 DECDHN CCN(CC)c1ccc(CN2CCCC[C@@H]2C(N)=O)c(O)c1 ZINC001140855040 796583700 /nfs/dbraw/zinc/58/37/00/796583700.db2.gz LLKODGYNQCOBML-OAHLLOKOSA-N 0 3 305.422 2.078 20 10 DECDHN CN(C)c1ccc(CN(C)CCN2CCN(C)CC2)c(Cl)c1 ZINC001140924341 796598878 /nfs/dbraw/zinc/59/88/78/796598878.db2.gz FXOVSMNRCOLFBZ-UHFFFAOYSA-N 0 3 324.900 2.085 20 10 DECDHN CCN1CC[C@@]2(C[N@H+](Cc3ccc(C)cc3[O-])C[C@@H]2C)C1=O ZINC001140952107 796606540 /nfs/dbraw/zinc/60/65/40/796606540.db2.gz FIWGHMMEUFAAAZ-KSSFIOAISA-N 0 3 302.418 2.391 20 10 DECDHN CCN1CC[C@@]2(C[N@@H+](Cc3ccc(C)cc3[O-])C[C@@H]2C)C1=O ZINC001140952107 796606545 /nfs/dbraw/zinc/60/65/45/796606545.db2.gz FIWGHMMEUFAAAZ-KSSFIOAISA-N 0 3 302.418 2.391 20 10 DECDHN COC(=O)CC1CC[NH+](Cc2c([O-])cc(OC)cc2OC)CC1 ZINC001141026109 796620045 /nfs/dbraw/zinc/62/00/45/796620045.db2.gz DCWIWUUEMCDAPJ-UHFFFAOYSA-N 0 3 323.389 2.185 20 10 DECDHN COc1cc(O[C@@H]2CCN(Cc3cc(O)ccc3O)C2)ccn1 ZINC001141162735 796643110 /nfs/dbraw/zinc/64/31/10/796643110.db2.gz BMNWOLBMKSJPOC-OAHLLOKOSA-N 0 3 316.357 2.155 20 10 DECDHN CN(C)c1ccc(CNC2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC000221597923 799412716 /nfs/dbraw/zinc/41/27/16/799412716.db2.gz XBWZATJGDIFNNW-UHFFFAOYSA-N 0 3 305.422 2.462 20 10 DECDHN COc1ccnc(O[C@@H]2CCC[N@H+](Cc3ccccc3[O-])C2)n1 ZINC001203562020 800080808 /nfs/dbraw/zinc/08/08/08/800080808.db2.gz BCPNCUSZXIYCSQ-CQSZACIVSA-N 0 3 315.373 2.234 20 10 DECDHN COc1ccnc(O[C@@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)n1 ZINC001203562020 800080817 /nfs/dbraw/zinc/08/08/17/800080817.db2.gz BCPNCUSZXIYCSQ-CQSZACIVSA-N 0 3 315.373 2.234 20 10 DECDHN COc1ccc(CN2CCC[C@@H](NC(=O)C3CCC3)C2)c(O)c1 ZINC001203634629 800096006 /nfs/dbraw/zinc/09/60/06/800096006.db2.gz OGVZFIHESIYKDD-OAHLLOKOSA-N 0 3 318.417 2.282 20 10 DECDHN COc1ccc(C[N@@H+]2CC[C@@H](Oc3ncc(C)cn3)C2)c([O-])c1 ZINC001203635200 800097113 /nfs/dbraw/zinc/09/71/13/800097113.db2.gz OLVDZJHPUNHNIQ-OAHLLOKOSA-N 0 3 315.373 2.153 20 10 DECDHN COc1ccc(C[N@H+]2CC[C@@H](Oc3ncc(C)cn3)C2)c([O-])c1 ZINC001203635200 800097118 /nfs/dbraw/zinc/09/71/18/800097118.db2.gz OLVDZJHPUNHNIQ-OAHLLOKOSA-N 0 3 315.373 2.153 20 10 DECDHN CCO[C@@H]1C[C@H]2CN(Cc3cc(Cl)ccc3[O-])CC[N@@H+]2C1 ZINC001203657264 800100550 /nfs/dbraw/zinc/10/05/50/800100550.db2.gz BHSDOSCCHULJEY-LSDHHAIUSA-N 0 3 310.825 2.341 20 10 DECDHN CCO[C@@H]1C[C@H]2CN(Cc3cc(Cl)ccc3[O-])CC[N@H+]2C1 ZINC001203657264 800100554 /nfs/dbraw/zinc/10/05/54/800100554.db2.gz BHSDOSCCHULJEY-LSDHHAIUSA-N 0 3 310.825 2.341 20 10 DECDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001204275014 800197987 /nfs/dbraw/zinc/19/79/87/800197987.db2.gz LNECEYQNGHBWJA-AEFFLSMTSA-N 0 3 319.401 2.258 20 10 DECDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001204275014 800197991 /nfs/dbraw/zinc/19/79/91/800197991.db2.gz LNECEYQNGHBWJA-AEFFLSMTSA-N 0 3 319.401 2.258 20 10 DECDHN CCc1nnc(C2CC[NH+](Cc3ccc(O)cc3[O-])CC2)o1 ZINC001204281516 800200339 /nfs/dbraw/zinc/20/03/39/800200339.db2.gz TVZBPOOJMJZBRT-UHFFFAOYSA-N 0 3 303.362 2.423 20 10 DECDHN COc1cccnc1N1CCN(Cc2cccc(C)c2O)CC1 ZINC001231594204 801691786 /nfs/dbraw/zinc/69/17/86/801691786.db2.gz XLYALTGHGXDDHL-UHFFFAOYSA-N 0 3 313.401 2.426 20 10 DECDHN COC[C@@H]1CN(Cc2cccc(C)c2O)Cc2cn(C)nc21 ZINC001231592540 801692483 /nfs/dbraw/zinc/69/24/83/801692483.db2.gz SMAPYSAQUVGRGB-HNNXBMFYSA-N 0 3 301.390 2.180 20 10 DECDHN COc1cc(N(C)C)ccc1CN1CCC[C@@](F)(CO)CC1 ZINC001231847772 801737348 /nfs/dbraw/zinc/73/73/48/801737348.db2.gz CVGUKPNIYBAYBQ-KRWDZBQOSA-N 0 3 310.413 2.448 20 10 DECDHN C[C@@H]1C[C@H](O)CN1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232193964 801812435 /nfs/dbraw/zinc/81/24/35/801812435.db2.gz CYNWNRJBDSZONA-OCCSQVGLSA-N 0 3 310.825 2.132 20 10 DECDHN COc1cc(Cl)cc(CN2CCC(=O)N3CCC[C@H]3C2)c1O ZINC001233290917 802065892 /nfs/dbraw/zinc/06/58/92/802065892.db2.gz CVLJLWDHSFNXOS-ZDUSSCGKSA-N 0 3 324.808 2.251 20 10 DECDHN COc1cc(Cl)cc(C[N@@H+]2CCC(=O)N3CCC[C@H]3C2)c1[O-] ZINC001233290917 802065895 /nfs/dbraw/zinc/06/58/95/802065895.db2.gz CVLJLWDHSFNXOS-ZDUSSCGKSA-N 0 3 324.808 2.251 20 10 DECDHN COc1cc(Cl)cc(C[N@H+]2CCC(=O)N3CCC[C@H]3C2)c1[O-] ZINC001233290917 802065903 /nfs/dbraw/zinc/06/59/03/802065903.db2.gz CVLJLWDHSFNXOS-ZDUSSCGKSA-N 0 3 324.808 2.251 20 10 DECDHN Cc1ccc(O[C@@H]2CCN(Cc3cc(O)c(O)cc3O)C2)nc1 ZINC001233487254 802127680 /nfs/dbraw/zinc/12/76/80/802127680.db2.gz WJJSQGVBLQWVIM-CYBMUJFWSA-N 0 3 316.357 2.160 20 10 DECDHN O=C1c2ccccc2C(=O)c2c(O[C@@H]3CNC[C@@H]3F)cccc21 ZINC001217997473 802128170 /nfs/dbraw/zinc/12/81/70/802128170.db2.gz AQNJUYLKSSMXDU-DZGCQCFKSA-N 0 3 311.312 2.151 20 10 DECDHN Cc1ccc(O[C@H]2CCN(Cc3cc(O)c(O)cc3O)C2)nc1 ZINC001233487255 802129082 /nfs/dbraw/zinc/12/90/82/802129082.db2.gz WJJSQGVBLQWVIM-ZDUSSCGKSA-N 0 3 316.357 2.160 20 10 DECDHN Cc1cc(O[C@@H]2C[NH2+][C@@H]2C)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001218384283 802175640 /nfs/dbraw/zinc/17/56/40/802175640.db2.gz IXAUGCAYYNPXLO-MEBBXXQBSA-N 0 3 323.348 2.215 20 10 DECDHN COC(CN(C)Cc1cccc(OC(F)(F)F)c1O)OC ZINC001233761356 802199972 /nfs/dbraw/zinc/19/99/72/802199972.db2.gz SIUOHHKPQMZMEP-UHFFFAOYSA-N 0 3 309.284 2.342 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CC[C@@H](c3noc(C)n3)C2)c([O-])c1 ZINC001462584369 1058854924 /nfs/dbraw/zinc/85/49/24/1058854924.db2.gz KUZRCZPYZFLFRH-GFCCVEGCSA-N 0 3 303.362 2.390 20 10 DECDHN COc1cc(C)c(C[N@H+]2CC[C@@H](c3noc(C)n3)C2)c([O-])c1 ZINC001462584369 1058854947 /nfs/dbraw/zinc/85/49/47/1058854947.db2.gz KUZRCZPYZFLFRH-GFCCVEGCSA-N 0 3 303.362 2.390 20 10 DECDHN NC(=O)[C@H](C[NH2+]Cc1cc(F)ccc1[O-])Cc1ccc(F)cc1 ZINC001652025491 1079847549 /nfs/dbraw/zinc/84/75/49/1079847549.db2.gz RWERONNAGQBGJN-ZDUSSCGKSA-N 0 3 320.339 2.104 20 10 DECDHN COc1ccc(O)c(CNCC(=O)Nc2ccc(F)c(F)c2)c1 ZINC001659931245 1080257399 /nfs/dbraw/zinc/25/73/99/1080257399.db2.gz DKWHEZLCNULLLX-UHFFFAOYSA-N 0 3 322.311 2.407 20 10 DECDHN CCN(C(=O)[C@@]12C[C@@H]1CN(Cc1ccc(O)c(O)c1)C2)C(C)C ZINC001276914404 1083677960 /nfs/dbraw/zinc/67/79/60/1083677960.db2.gz POSZKCHQRNSEMA-RDTXWAMCSA-N 0 3 318.417 2.177 20 10 DECDHN NC(=O)[C@H]1[C@H]2CC[C@@H]1CN(Cc1ccc(N3CCCC3)cc1)C2 ZINC001277210093 1083848238 /nfs/dbraw/zinc/84/82/38/1083848238.db2.gz OLBIGQMKMCFEKN-ALXJQNPVSA-N 0 3 313.445 2.230 20 10 DECDHN CC[C@@H](Oc1ccc(N2CCN(CC)CC2)cc1)C(=O)OC ZINC001234661584 1084192336 /nfs/dbraw/zinc/19/23/36/1084192336.db2.gz VHRODXSYNSQTFM-MRXNPFEDSA-N 0 3 306.406 2.159 20 10 DECDHN Cc1cc([O-])c(CN2CC[NH2+]CC23CC3)cc1Br ZINC001234978922 1084256354 /nfs/dbraw/zinc/25/63/54/1084256354.db2.gz HTVVUJNHUDCFOJ-UHFFFAOYSA-N 0 3 311.223 2.401 20 10 DECDHN Cc1cc([O-])c(CN2CCC[C@@H]3[NH2+]C[C@H]32)cc1Br ZINC001235303263 1084381140 /nfs/dbraw/zinc/38/11/40/1084381140.db2.gz KLPLICQRGIMRPQ-QWHCGFSZSA-N 0 3 311.223 2.399 20 10 DECDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@](C)(CO)C2)c([O-])c1 ZINC001235674953 1084496425 /nfs/dbraw/zinc/49/64/25/1084496425.db2.gz JSXXCRFUMJKKLK-AEFFLSMTSA-N 0 3 307.434 2.255 20 10 DECDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@@H](O)[C@](C)(CO)C2)c([O-])c1 ZINC001235674953 1084496426 /nfs/dbraw/zinc/49/64/26/1084496426.db2.gz JSXXCRFUMJKKLK-AEFFLSMTSA-N 0 3 307.434 2.255 20 10 DECDHN Cc1cc(C)c(CN2CC3(C2)CN(C(=O)NC(C)C)C3)c(O)c1 ZINC001276364849 1085504277 /nfs/dbraw/zinc/50/42/77/1085504277.db2.gz GPKKGOBNHVVETQ-UHFFFAOYSA-N 0 3 317.433 2.245 20 10 DECDHN Cc1cc(CN2CC[C@@](C)(O)C2)c(O)cc1Br ZINC001250120598 1091874463 /nfs/dbraw/zinc/87/44/63/1091874463.db2.gz KGTWWLIULZSVHO-CYBMUJFWSA-N 0 3 300.196 2.420 20 10 DECDHN Cc1cc(C[N@@H+]2CC[C@@](C)(O)C2)c([O-])cc1Br ZINC001250120598 1091874469 /nfs/dbraw/zinc/87/44/69/1091874469.db2.gz KGTWWLIULZSVHO-CYBMUJFWSA-N 0 3 300.196 2.420 20 10 DECDHN Cc1cc(C[N@H+]2CC[C@@](C)(O)C2)c([O-])cc1Br ZINC001250120598 1091874474 /nfs/dbraw/zinc/87/44/74/1091874474.db2.gz KGTWWLIULZSVHO-CYBMUJFWSA-N 0 3 300.196 2.420 20 10 DECDHN Cc1ccc(CN2CC3(C[C@H]3C(=O)N3CCCCO3)C2)c(O)c1 ZINC001277566499 1138330444 /nfs/dbraw/zinc/33/04/44/1138330444.db2.gz KBADUIRBCVZNCU-HNNXBMFYSA-N 0 3 316.401 2.077 20 10 DECDHN C[C@@]1(CO)CC[N@H+](Cc2cc3ccccc3cc2[O-])C[C@H]1O ZINC001236827197 1138441082 /nfs/dbraw/zinc/44/10/82/1138441082.db2.gz RAQXSAAFYQHCHZ-MSOLQXFVSA-N 0 3 301.386 2.111 20 10 DECDHN C[C@@]1(CO)CC[N@@H+](Cc2cc3ccccc3cc2[O-])C[C@H]1O ZINC001236827197 1138441084 /nfs/dbraw/zinc/44/10/84/1138441084.db2.gz RAQXSAAFYQHCHZ-MSOLQXFVSA-N 0 3 301.386 2.111 20 10 DECDHN CN1CCN(c2ccc(CN3CCSCC3)c(F)c2)CC1 ZINC001236935082 1138461521 /nfs/dbraw/zinc/46/15/21/1138461521.db2.gz FDOGWEZLKNWFHW-UHFFFAOYSA-N 0 3 309.454 2.126 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)O3)C2)c([O-])c1 ZINC001237047509 1138488112 /nfs/dbraw/zinc/48/81/12/1138488112.db2.gz ZJMJECDNEPZNPV-KRWDZBQOSA-N 0 3 305.374 2.463 20 10 DECDHN CCOc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)O3)C2)c([O-])c1 ZINC001237047509 1138488113 /nfs/dbraw/zinc/48/81/13/1138488113.db2.gz ZJMJECDNEPZNPV-KRWDZBQOSA-N 0 3 305.374 2.463 20 10 DECDHN COCC1C[NH+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237052210 1138491174 /nfs/dbraw/zinc/49/11/74/1138491174.db2.gz UUPKCSCHWDIQFZ-UHFFFAOYSA-N 0 3 305.296 2.412 20 10 DECDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@H](F)[C@H](O)C1 ZINC001237053373 1138491246 /nfs/dbraw/zinc/49/12/46/1138491246.db2.gz KSPVJWTXLCGOCL-WCQYABFASA-N 0 3 323.286 2.238 20 10 DECDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@H](F)[C@H](O)C1 ZINC001237053373 1138491252 /nfs/dbraw/zinc/49/12/52/1138491252.db2.gz KSPVJWTXLCGOCL-WCQYABFASA-N 0 3 323.286 2.238 20 10 DECDHN Oc1cc(OCC(F)(F)F)ccc1CN1CC[C@H](F)[C@H](O)C1 ZINC001237053373 1138491255 /nfs/dbraw/zinc/49/12/55/1138491255.db2.gz KSPVJWTXLCGOCL-WCQYABFASA-N 0 3 323.286 2.238 20 10 DECDHN COCC[N@H+](Cc1c(C)cccc1[O-])C1CCN(C(C)=O)CC1 ZINC001237489067 1138655122 /nfs/dbraw/zinc/65/51/22/1138655122.db2.gz DOOVRICFXIKGSB-UHFFFAOYSA-N 0 3 320.433 2.160 20 10 DECDHN COCC[N@@H+](Cc1c(C)cccc1[O-])C1CCN(C(C)=O)CC1 ZINC001237489067 1138655134 /nfs/dbraw/zinc/65/51/34/1138655134.db2.gz DOOVRICFXIKGSB-UHFFFAOYSA-N 0 3 320.433 2.160 20 10 DECDHN CC[N@H+](CCC(N)=O)Cc1cc(Br)c(C)cc1[O-] ZINC001237678745 1138753586 /nfs/dbraw/zinc/75/35/86/1138753586.db2.gz LVQUBEQMNXPHQG-UHFFFAOYSA-N 0 3 315.211 2.160 20 10 DECDHN CC[N@@H+](CCC(N)=O)Cc1cc(Br)c(C)cc1[O-] ZINC001237678745 1138753595 /nfs/dbraw/zinc/75/35/95/1138753595.db2.gz LVQUBEQMNXPHQG-UHFFFAOYSA-N 0 3 315.211 2.160 20 10 DECDHN Cc1cc(F)cc(C[NH+]2CCC3(CCCNC3=O)CC2)c1[O-] ZINC001238062236 1138819417 /nfs/dbraw/zinc/81/94/17/1138819417.db2.gz OEAJHHPTIYKIIM-UHFFFAOYSA-N 0 3 306.381 2.332 20 10 DECDHN COCCCCN1CCN(Cc2cc(F)cc(C)c2O)CC1 ZINC001238065782 1138819558 /nfs/dbraw/zinc/81/95/58/1138819558.db2.gz FDAIXXUAJNIPTI-UHFFFAOYSA-N 0 3 310.413 2.384 20 10 DECDHN CN1CCN(c2ccc(CNCc3cccc(F)n3)cc2)CC1 ZINC001319840254 1140758982 /nfs/dbraw/zinc/75/89/82/1140758982.db2.gz XVGVTOMOWFRMPG-UHFFFAOYSA-N 0 3 314.408 2.262 20 10 DECDHN CC[C@H]([NH2+][C@H](C)C(=O)NCC(F)(F)F)c1ccccc1[O-] ZINC001320713632 1140897304 /nfs/dbraw/zinc/89/73/04/1140897304.db2.gz YWCSORMRIWBDNY-KOLCDFICSA-N 0 3 304.312 2.500 20 10 DECDHN COC(=O)Cc1ccc(C[N@@H+]2CC(C)(C)C[C@]2(C)CO)c([O-])c1 ZINC001249177617 1141857217 /nfs/dbraw/zinc/85/72/17/1141857217.db2.gz GCNDAJSYLNWFKA-GOSISDBHSA-N 0 3 321.417 2.091 20 10 DECDHN COC(=O)Cc1ccc(C[N@H+]2CC(C)(C)C[C@]2(C)CO)c([O-])c1 ZINC001249177617 1141857220 /nfs/dbraw/zinc/85/72/20/1141857220.db2.gz GCNDAJSYLNWFKA-GOSISDBHSA-N 0 3 321.417 2.091 20 10 DECDHN COC(=O)Cc1ccc(C[N@H+](C)C[C@@H]2CCCCO2)c([O-])c1 ZINC001249201017 1141858992 /nfs/dbraw/zinc/85/89/92/1141858992.db2.gz AZWDQIFOSLVIPM-HNNXBMFYSA-N 0 3 307.390 2.109 20 10 DECDHN COC(=O)Cc1ccc(C[N@@H+](C)C[C@@H]2CCCCO2)c([O-])c1 ZINC001249201017 1141858994 /nfs/dbraw/zinc/85/89/94/1141858994.db2.gz AZWDQIFOSLVIPM-HNNXBMFYSA-N 0 3 307.390 2.109 20 10 DECDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CC[C@H](F)[C@@H](O)C3)ccc2O1 ZINC001249223266 1141862158 /nfs/dbraw/zinc/86/21/58/1141862158.db2.gz CZIVYINFBSSIJG-KBPBESRZSA-N 0 3 307.365 2.481 20 10 DECDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CC[C@H](F)[C@@H](O)C3)ccc2O1 ZINC001249223266 1141862160 /nfs/dbraw/zinc/86/21/60/1141862160.db2.gz CZIVYINFBSSIJG-KBPBESRZSA-N 0 3 307.365 2.481 20 10 DECDHN CC1(C)C=Cc2c(O)c(CN3CC[C@H](F)[C@@H](O)C3)ccc2O1 ZINC001249223266 1141862163 /nfs/dbraw/zinc/86/21/63/1141862163.db2.gz CZIVYINFBSSIJG-KBPBESRZSA-N 0 3 307.365 2.481 20 10 DECDHN [O-]c1cccc2c1C[N@H+](C[C@@H](O)COc1cccc(F)c1)CC2 ZINC001250805998 1142320730 /nfs/dbraw/zinc/32/07/30/1142320730.db2.gz LQPKTWHAULWXMH-OAHLLOKOSA-N 0 3 317.360 2.329 20 10 DECDHN [O-]c1cccc2c1C[N@@H+](C[C@@H](O)COc1cccc(F)c1)CC2 ZINC001250805998 1142320735 /nfs/dbraw/zinc/32/07/35/1142320735.db2.gz LQPKTWHAULWXMH-OAHLLOKOSA-N 0 3 317.360 2.329 20 10 DECDHN COc1ccccc1OC[C@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC001252887332 1142827534 /nfs/dbraw/zinc/82/75/34/1142827534.db2.gz FLCIESCZELLTDL-OAHLLOKOSA-N 0 3 317.385 2.273 20 10 DECDHN COc1ccccc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC001252887332 1142827535 /nfs/dbraw/zinc/82/75/35/1142827535.db2.gz FLCIESCZELLTDL-OAHLLOKOSA-N 0 3 317.385 2.273 20 10 DECDHN COc1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC001252904905 1142828644 /nfs/dbraw/zinc/82/86/44/1142828644.db2.gz IHAJGDUCVSQISN-ZIAGYGMSSA-N 0 3 317.385 2.491 20 10 DECDHN Cc1cc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)[nH]n1 ZINC001338751777 1142875794 /nfs/dbraw/zinc/87/57/94/1142875794.db2.gz QZKKKMUJKDBLKT-CQSZACIVSA-N 0 3 300.406 2.406 20 10 DECDHN Cc1cc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)n[nH]1 ZINC001338751777 1142875795 /nfs/dbraw/zinc/87/57/95/1142875795.db2.gz QZKKKMUJKDBLKT-CQSZACIVSA-N 0 3 300.406 2.406 20 10 DECDHN COc1ccc(CNC(=O)c2cc3c(s2)CNCC3)c(O)c1 ZINC001340454435 1143349141 /nfs/dbraw/zinc/34/91/41/1143349141.db2.gz ZGZFDXGDOFLZFZ-UHFFFAOYSA-N 0 3 318.398 2.038 20 10 DECDHN CC[C@H](C)C[C@@H](N)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001341351568 1143587944 /nfs/dbraw/zinc/58/79/44/1143587944.db2.gz SZIKNGCTMLIBHK-GRDNDAEWSA-N 0 3 319.449 2.154 20 10 DECDHN CC[C@@H](C)C[C@H](N)C(=O)NCc1ccc2c(c1)CCCN2C ZINC001341677391 1143663220 /nfs/dbraw/zinc/66/32/20/1143663220.db2.gz NGZWCSFEHBXMLE-CJNGLKHVSA-N 0 3 303.450 2.449 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c([O-])c1 ZINC001308613684 1147481762 /nfs/dbraw/zinc/48/17/62/1147481762.db2.gz LOOOQLUBBQSPRS-ZDUSSCGKSA-N 0 3 306.406 2.187 20 10 DECDHN COc1cc(C)c(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)c([O-])c1 ZINC001308613684 1147481766 /nfs/dbraw/zinc/48/17/66/1147481766.db2.gz LOOOQLUBBQSPRS-ZDUSSCGKSA-N 0 3 306.406 2.187 20 10 DECDHN O=C1COc2ccccc2N1CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC001324848052 1147852572 /nfs/dbraw/zinc/85/25/72/1147852572.db2.gz LXZVAYBVRQIHFO-AWEZNQCLSA-N 0 3 324.380 2.395 20 10 DECDHN NC(=O)N=Nc1ccc(C(=O)NCC2(NCCF)CCC2)cc1 ZINC001326937968 1148295371 /nfs/dbraw/zinc/29/53/71/1148295371.db2.gz QXDSCTGGIYJODN-UHFFFAOYSA-N 0 3 321.356 2.061 20 10 DECDHN CSCC[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C(=O)N(C)C ZINC000834803897 649849292 /nfs/dbraw/zinc/84/92/92/649849292.db2.gz ZXELNJLIDOMXHZ-OLZOCXBDSA-N 0 3 308.447 2.179 20 10 DECDHN COc1cccc(CNC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)c1O ZINC000105650460 194117780 /nfs/dbraw/zinc/11/77/80/194117780.db2.gz RTSKKEHBDINXOA-XQQFMLRXSA-N 0 3 306.406 2.278 20 10 DECDHN COc1cccc(CN2CCC[C@@H](c3noc(C)n3)C2)c1O ZINC000378347693 533476340 /nfs/dbraw/zinc/47/63/40/533476340.db2.gz BIUZIQQEEFUKRF-CYBMUJFWSA-N 0 3 303.362 2.472 20 10 DECDHN COC[C@@H](O)C[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000275337372 130306206 /nfs/dbraw/zinc/30/62/06/130306206.db2.gz OAOJIJFDIGJHBU-KOLCDFICSA-N 0 3 318.211 2.121 20 10 DECDHN CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000275536193 130332602 /nfs/dbraw/zinc/33/26/02/130332602.db2.gz MHOGQNVHEABJMI-ZFWWWQNUSA-N 0 3 305.353 2.368 20 10 DECDHN CCOc1cccc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c1[O-] ZINC000289224628 131366711 /nfs/dbraw/zinc/36/67/11/131366711.db2.gz CSJPAKMEABKPIC-GOEBONIOSA-N 0 3 320.433 2.086 20 10 DECDHN CCOc1cccc(C[N@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c1[O-] ZINC000289224628 131366712 /nfs/dbraw/zinc/36/67/12/131366712.db2.gz CSJPAKMEABKPIC-GOEBONIOSA-N 0 3 320.433 2.086 20 10 DECDHN C[N@H+](CCC(N)=O)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000289534775 131393218 /nfs/dbraw/zinc/39/32/18/131393218.db2.gz HUVITZSFHALMJO-UHFFFAOYSA-N 0 3 314.385 2.278 20 10 DECDHN C[N@@H+](CCC(N)=O)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000289534775 131393219 /nfs/dbraw/zinc/39/32/19/131393219.db2.gz HUVITZSFHALMJO-UHFFFAOYSA-N 0 3 314.385 2.278 20 10 DECDHN NC(=O)COc1cccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000297710175 132030098 /nfs/dbraw/zinc/03/00/98/132030098.db2.gz MTBZUUGRQBCJRY-OAHLLOKOSA-N 0 3 312.369 2.033 20 10 DECDHN CCCN(CC(=O)NC)Cc1cc(Br)ccc1O ZINC000133294655 401881496 /nfs/dbraw/zinc/88/14/96/401881496.db2.gz LFFLTLUMARWAQC-UHFFFAOYSA-N 0 3 315.211 2.113 20 10 DECDHN CCC[N@H+](CC(=O)NC)Cc1cc(Br)ccc1[O-] ZINC000133294655 401881498 /nfs/dbraw/zinc/88/14/98/401881498.db2.gz LFFLTLUMARWAQC-UHFFFAOYSA-N 0 3 315.211 2.113 20 10 DECDHN CCC[N@@H+](CC(=O)NC)Cc1cc(Br)ccc1[O-] ZINC000133294655 401881501 /nfs/dbraw/zinc/88/15/01/401881501.db2.gz LFFLTLUMARWAQC-UHFFFAOYSA-N 0 3 315.211 2.113 20 10 DECDHN Cc1cc([O-])c(C[NH2+][C@H](C)CCN2CCN(C)CC2)cc1C ZINC000185863835 402383957 /nfs/dbraw/zinc/38/39/57/402383957.db2.gz RSQALONCXWRZKJ-MRXNPFEDSA-N 0 3 305.466 2.125 20 10 DECDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2COC3(CCOCC3)O2)c1 ZINC000186375187 402426073 /nfs/dbraw/zinc/42/60/73/402426073.db2.gz GRXJYBILAKSDIV-UONOGXRCSA-N 0 3 307.390 2.273 20 10 DECDHN CC[C@H]([NH2+][C@H](C)CCN1CCN(C)CC1)c1ccccc1[O-] ZINC000186427075 402430840 /nfs/dbraw/zinc/43/08/40/402430840.db2.gz IJJDXNJSDDRFRM-WBVHZDCISA-N 0 3 305.466 2.459 20 10 DECDHN C[C@@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000186605572 402447288 /nfs/dbraw/zinc/44/72/88/402447288.db2.gz YPFXRFNXLQZLCT-KBPBESRZSA-N 0 3 309.429 2.208 20 10 DECDHN O=C(c1cccc(O)c1[O-])N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000187139302 402484490 /nfs/dbraw/zinc/48/44/90/402484490.db2.gz HHOFPIMDTQASFC-ZDUSSCGKSA-N 0 3 304.390 2.046 20 10 DECDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c1[O-] ZINC000179369799 402586987 /nfs/dbraw/zinc/58/69/87/402586987.db2.gz DUWUXUCGXIYVNF-CQSZACIVSA-N 0 3 307.390 2.376 20 10 DECDHN CCOc1cccc(C[N@H+]2CCC[C@@H](C3OCCO3)C2)c1[O-] ZINC000179369799 402586990 /nfs/dbraw/zinc/58/69/90/402586990.db2.gz DUWUXUCGXIYVNF-CQSZACIVSA-N 0 3 307.390 2.376 20 10 DECDHN Cc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c([O-])c1O ZINC000179520742 402593723 /nfs/dbraw/zinc/59/37/23/402593723.db2.gz HYZLVAGEJZXTFH-CQSZACIVSA-N 0 3 318.417 2.354 20 10 DECDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H](OCCO)C2)c([O-])c1 ZINC000179578062 402594852 /nfs/dbraw/zinc/59/48/52/402594852.db2.gz HJZNMGYZHJXVKP-MRXNPFEDSA-N 0 3 309.406 2.154 20 10 DECDHN CCCOc1ccc(C[N@H+]2CCC[C@@H](OCCO)C2)c([O-])c1 ZINC000179578062 402594855 /nfs/dbraw/zinc/59/48/55/402594855.db2.gz HJZNMGYZHJXVKP-MRXNPFEDSA-N 0 3 309.406 2.154 20 10 DECDHN Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000271352538 402861044 /nfs/dbraw/zinc/86/10/44/402861044.db2.gz LRAFGVZMRBBGQT-GDBMZVCRSA-N 0 3 301.390 2.071 20 10 DECDHN Cn1ccnc1[C@H](O)[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000271352538 402861045 /nfs/dbraw/zinc/86/10/45/402861045.db2.gz LRAFGVZMRBBGQT-GDBMZVCRSA-N 0 3 301.390 2.071 20 10 DECDHN COc1c([O-])c(CNC[C@H](C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000278568363 402868363 /nfs/dbraw/zinc/86/83/63/402868363.db2.gz CLHMNDZUCOANCM-LBPRGKRZSA-N 0 3 323.393 2.131 20 10 DECDHN COc1c([O-])c(C[NH2+]C[C@H](C)CN2CCCC2)ccc1[N+](=O)[O-] ZINC000278568363 402868364 /nfs/dbraw/zinc/86/83/64/402868364.db2.gz CLHMNDZUCOANCM-LBPRGKRZSA-N 0 3 323.393 2.131 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]CC2([S@](C)=O)CC2)c1[O-] ZINC000281679617 403081160 /nfs/dbraw/zinc/08/11/60/403081160.db2.gz FENBICZWWBEEOF-IBGZPJMESA-N 0 3 303.811 2.055 20 10 DECDHN CO[C@H](C)[C@@H](C)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000268820719 403117732 /nfs/dbraw/zinc/11/77/32/403117732.db2.gz HONWHTRMZHRDER-CHWSQXEVSA-N 0 3 310.413 2.300 20 10 DECDHN CCN(C)c1ccc([C@H](C)NC[C@@H](O)c2cnn(C)c2)cc1 ZINC000268926001 403121483 /nfs/dbraw/zinc/12/14/83/403121483.db2.gz WAMHFEVACCZEDX-SUMWQHHRSA-N 0 3 302.422 2.260 20 10 DECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282968915 403164451 /nfs/dbraw/zinc/16/44/51/403164451.db2.gz IJOLIASOYCXKAD-MLGOLLRUSA-N 0 3 309.381 2.189 20 10 DECDHN COC[C@H](O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000283095072 403170543 /nfs/dbraw/zinc/17/05/43/403170543.db2.gz SKTXYNNFQKUWGY-MRXNPFEDSA-N 0 3 317.385 2.068 20 10 DECDHN CCOCc1cc(CNCC2([S@@](C)=O)CC2)ccc1OC ZINC000282424595 403152745 /nfs/dbraw/zinc/15/27/45/403152745.db2.gz QZKRZBGZGGCQQN-OAQYLSRUSA-N 0 3 311.447 2.232 20 10 DECDHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c1 ZINC000282659626 403157980 /nfs/dbraw/zinc/15/79/80/403157980.db2.gz IOMUAPUNQSTFDH-PBHICJAKSA-N 0 3 305.418 2.358 20 10 DECDHN COc1ccc(O)c(CN2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1 ZINC000280619461 286338311 /nfs/dbraw/zinc/33/83/11/286338311.db2.gz ZPGIVZFHGKTBGP-DCGLDWPTSA-N 0 3 307.390 2.169 20 10 DECDHN CC[C@@H](C)N1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000295294054 403838269 /nfs/dbraw/zinc/83/82/69/403838269.db2.gz UNUCGKNPCQMAEV-CYBMUJFWSA-N 0 3 308.422 2.326 20 10 DECDHN COc1ccc(O)c(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000289832397 404002558 /nfs/dbraw/zinc/00/25/58/404002558.db2.gz UJBXQJXMEPJZRC-DGCLKSJQSA-N 0 3 319.323 2.394 20 10 DECDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c([O-])c1 ZINC000363870653 404233163 /nfs/dbraw/zinc/23/31/63/404233163.db2.gz WMTMKUYGHHLJCH-ZIAGYGMSSA-N 0 3 300.406 2.364 20 10 DECDHN CS(=O)(=O)C1(C[NH2+][C@H]2CCc3cccc([O-])c32)CCCC1 ZINC000297239741 286587413 /nfs/dbraw/zinc/58/74/13/286587413.db2.gz ILJXMKOGNFZDRM-ZDUSSCGKSA-N 0 3 309.431 2.327 20 10 DECDHN Cc1c2ccccc2n(C)c1CNC(=O)NCCN(C)C1CC1 ZINC000471923669 406129657 /nfs/dbraw/zinc/12/96/57/406129657.db2.gz QALCKUBPUJAUOE-UHFFFAOYSA-N 0 3 314.433 2.380 20 10 DECDHN CCOc1ccc([O-])c(C[NH+]2CCC3(CCN(C)C3=O)CC2)c1 ZINC000370081035 227045691 /nfs/dbraw/zinc/04/56/91/227045691.db2.gz HXGGEEBOQMLQID-UHFFFAOYSA-N 0 3 318.417 2.235 20 10 DECDHN CCN1CCN(c2ccc(CN[C@H](C)[C@H](C)OC)cc2F)CC1 ZINC000268892156 279374529 /nfs/dbraw/zinc/37/45/29/279374529.db2.gz PCXUSFFWGLSHEU-CABCVRRESA-N 0 3 323.456 2.481 20 10 DECDHN CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC000180194016 520580064 /nfs/dbraw/zinc/58/00/64/520580064.db2.gz BZBDPQUVJDSUQD-HOTGVXAUSA-N 0 3 309.381 2.283 20 10 DECDHN CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000228099284 524090070 /nfs/dbraw/zinc/09/00/70/524090070.db2.gz OTSFDKVKIIZWCN-HNNXBMFYSA-N 0 3 312.797 2.012 20 10 DECDHN CNC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000228099284 524090073 /nfs/dbraw/zinc/09/00/73/524090073.db2.gz OTSFDKVKIIZWCN-HNNXBMFYSA-N 0 3 312.797 2.012 20 10 DECDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c1 ZINC000179931038 524739465 /nfs/dbraw/zinc/73/94/65/524739465.db2.gz OGSKPHZWLUVDJE-AWEZNQCLSA-N 0 3 320.433 2.385 20 10 DECDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c1 ZINC000179931038 524739473 /nfs/dbraw/zinc/73/94/73/524739473.db2.gz OGSKPHZWLUVDJE-AWEZNQCLSA-N 0 3 320.433 2.385 20 10 DECDHN O=C1COc2ccccc2N1CCC[NH2+]Cc1ccccc1[O-] ZINC000174523239 527015444 /nfs/dbraw/zinc/01/54/44/527015444.db2.gz ZTACGXHKMGFHKZ-UHFFFAOYSA-N 0 3 312.369 2.298 20 10 DECDHN COC(=O)N1CCC([NH2+][C@H](C)c2cc(OC)ccc2[O-])CC1 ZINC000273383990 536412306 /nfs/dbraw/zinc/41/23/06/536412306.db2.gz IYOZGUWKNRTXJJ-LLVKDONJSA-N 0 3 308.378 2.282 20 10 DECDHN COC(=O)C[C@]1(NC/C=C/c2ccc(N(C)C)cc2)CCOC1 ZINC000835046608 649871398 /nfs/dbraw/zinc/87/13/98/649871398.db2.gz LGQBHARIWGGXRZ-SHCNBLLESA-N 0 3 318.417 2.078 20 10 DECDHN CCS(=O)(=O)CCC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000840889578 625436007 /nfs/dbraw/zinc/43/60/07/625436007.db2.gz RWKIDNKWFDZPKK-PWSUYJOCSA-N 0 3 315.410 2.494 20 10 DECDHN CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000179497347 625657650 /nfs/dbraw/zinc/65/76/50/625657650.db2.gz GXAKBURWRQQIJV-CYBMUJFWSA-N 0 3 306.406 2.401 20 10 DECDHN CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000179497347 625657654 /nfs/dbraw/zinc/65/76/54/625657654.db2.gz GXAKBURWRQQIJV-CYBMUJFWSA-N 0 3 306.406 2.401 20 10 DECDHN CCC[C@](C)(O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251067 623797575 /nfs/dbraw/zinc/79/75/75/623797575.db2.gz CUXVOBBFESLMRC-WMZOPIPTSA-N 0 3 321.465 2.023 20 10 DECDHN CCC[C@H](O)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891253444 623799256 /nfs/dbraw/zinc/79/92/56/623799256.db2.gz SLUJFOJUBJKUCS-IRXDYDNUSA-N 0 3 321.465 2.023 20 10 DECDHN COCCCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891255706 623804552 /nfs/dbraw/zinc/80/45/52/623804552.db2.gz RHMVYBBIYHYSPH-KRWDZBQOSA-N 0 3 321.465 2.288 20 10 DECDHN COc1cccc([O-])c1C[NH2+]Cc1ccccc1Cn1cncn1 ZINC000725847963 625042063 /nfs/dbraw/zinc/04/20/63/625042063.db2.gz YFAHBIOSXVLPOM-UHFFFAOYSA-N 0 3 324.384 2.330 20 10 DECDHN COc1cccc(CNCC(=O)Nc2cccc(F)c2)c1O ZINC000725850066 625130436 /nfs/dbraw/zinc/13/04/36/625130436.db2.gz IFCVIOHOPBMQGL-UHFFFAOYSA-N 0 3 304.321 2.268 20 10 DECDHN CC(C)[C@H](NCc1ccc2c(c1)CCO2)C(=O)N1CCCC1 ZINC000733800268 633287327 /nfs/dbraw/zinc/28/73/27/633287327.db2.gz KJQIVZDXRCVGLS-KRWDZBQOSA-N 0 3 302.418 2.358 20 10 DECDHN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000734671617 633417170 /nfs/dbraw/zinc/41/71/70/633417170.db2.gz PKDDUFDVDWWKPV-HNNXBMFYSA-N 0 3 316.449 2.097 20 10 DECDHN NC(=O)Cc1ccc(CNCc2ccc3c(c2)CCCO3)cc1 ZINC000922135128 635886993 /nfs/dbraw/zinc/88/69/93/635886993.db2.gz ORWOBLANPUJSPD-UHFFFAOYSA-N 0 3 310.397 2.329 20 10 DECDHN O=C1O[C@H](CNCc2ccc3c(c2)CCCO3)CN1C1CC1 ZINC000922226149 636013134 /nfs/dbraw/zinc/01/31/34/636013134.db2.gz ISIFSCBPUPNDHU-OAHLLOKOSA-N 0 3 302.374 2.084 20 10 DECDHN CCC[N@H+](CC)C[C@@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000922547339 636225605 /nfs/dbraw/zinc/22/56/05/636225605.db2.gz LYEYSJZAFWHNEO-GFCCVEGCSA-N 0 3 311.401 2.451 20 10 DECDHN CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000922547339 636225608 /nfs/dbraw/zinc/22/56/08/636225608.db2.gz LYEYSJZAFWHNEO-GFCCVEGCSA-N 0 3 311.401 2.451 20 10 DECDHN COC(=O)[C@@H]1[C@H](CNCc2ccc3c(c2)CCCN3C)C1(F)F ZINC000894209164 636449143 /nfs/dbraw/zinc/44/91/43/636449143.db2.gz OSCPJAAAFKGELV-ZFWWWQNUSA-N 0 3 324.371 2.213 20 10 DECDHN CN(C)[C@@H](CNC(=O)Cc1ccc(N)cc1)Cc1ccccc1 ZINC000237139248 636946551 /nfs/dbraw/zinc/94/65/51/636946551.db2.gz HVSVXDNPPDKXSU-GOSISDBHSA-N 0 3 311.429 2.100 20 10 DECDHN CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC000923190535 637021231 /nfs/dbraw/zinc/02/12/31/637021231.db2.gz OSYJGQRUSYAAQZ-LLVKDONJSA-N 0 3 309.385 2.203 20 10 DECDHN CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC000923190535 637021236 /nfs/dbraw/zinc/02/12/36/637021236.db2.gz OSYJGQRUSYAAQZ-LLVKDONJSA-N 0 3 309.385 2.203 20 10 DECDHN C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ccn(C)n1 ZINC000839191994 637815660 /nfs/dbraw/zinc/81/56/60/637815660.db2.gz RQXOQXFJHFNFHU-HNNXBMFYSA-N 0 3 313.449 2.023 20 10 DECDHN C[NH+](C)C1(CNC(=O)c2cc([O-])cs2)Cc2ccccc2C1 ZINC000743562481 638157016 /nfs/dbraw/zinc/15/70/16/638157016.db2.gz QIMKXYLORFBEAQ-UHFFFAOYSA-N 0 3 316.426 2.283 20 10 DECDHN C[C@@]1(CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCC[NH2+]C1 ZINC000841057940 650417081 /nfs/dbraw/zinc/41/70/81/650417081.db2.gz SPELZBYQNRBKLQ-CQSZACIVSA-N 0 3 313.785 2.433 20 10 DECDHN COc1cc(O)c(CNCc2cc(N(C)C)ccn2)cc1OC ZINC000896299229 638455010 /nfs/dbraw/zinc/45/50/10/638455010.db2.gz WYCFSXYFHMQUMT-UHFFFAOYSA-N 0 3 317.389 2.160 20 10 DECDHN C[C@@]1(C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)COC(=O)N1 ZINC000896461064 638535136 /nfs/dbraw/zinc/53/51/36/638535136.db2.gz NDFGIOQWNRVCLQ-INIZCTEOSA-N 0 3 308.353 2.242 20 10 DECDHN COc1cc(O)c(CNCc2cc(C3CC3)nn2C)cc1OC ZINC000897224350 639258245 /nfs/dbraw/zinc/25/82/45/639258245.db2.gz OUIKOHQCTUNALB-UHFFFAOYSA-N 0 3 317.389 2.310 20 10 DECDHN CN(CCC(=O)NCc1c([O-])cccc1F)c1cc[nH+]cc1 ZINC000928707688 639487140 /nfs/dbraw/zinc/48/71/40/639487140.db2.gz GRDIFNOCSBJEHR-UHFFFAOYSA-N 0 3 303.337 2.069 20 10 DECDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCN2CCCC2)c1 ZINC000756359290 639654051 /nfs/dbraw/zinc/65/40/51/639654051.db2.gz DCHWPXUCNNSRTD-CYBMUJFWSA-N 0 3 306.406 2.315 20 10 DECDHN C[C@@H]1C[C@@H]([NH2+]CCN2CCO[C@H](C)C2)c2c1c(F)ccc2[O-] ZINC000756547351 639671895 /nfs/dbraw/zinc/67/18/95/639671895.db2.gz ZXKCZTBUOMFDOJ-YRGRVCCFSA-N 0 3 308.397 2.390 20 10 DECDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C2CCOCC2)c2c1c(F)ccc2[O-] ZINC000756735895 639691253 /nfs/dbraw/zinc/69/12/53/639691253.db2.gz CQDYMMROQLRGNQ-WDBKCZKBSA-N 0 3 309.381 2.457 20 10 DECDHN COc1ccc(O)c([C@H](C)NCC(=O)N2CCCC[C@H]2C)c1 ZINC000839538794 639752796 /nfs/dbraw/zinc/75/27/96/639752796.db2.gz GPQSFUHETLVIKX-OLZOCXBDSA-N 0 3 306.406 2.452 20 10 DECDHN C[C@@H]1CN(CCO)[C@H](C)CN1C/C=C\c1ccc(N(C)C)cc1 ZINC000841892203 650595741 /nfs/dbraw/zinc/59/57/41/650595741.db2.gz VBQIXCQXDUAGKJ-MBZYTVFJSA-N 0 3 317.477 2.153 20 10 DECDHN Cc1cc(C)c(O)c(CN2CCCC[C@H](S(C)(=O)=O)C2)c1 ZINC000766663497 640902862 /nfs/dbraw/zinc/90/28/62/640902862.db2.gz GVMZTEAAZMONGL-HNNXBMFYSA-N 0 3 311.447 2.408 20 10 DECDHN Cc1cc(Br)cc(C[NH2+][C@H]2CC23CC(O)C3)c1[O-] ZINC000897847985 640952130 /nfs/dbraw/zinc/95/21/30/640952130.db2.gz FTIAEDJUKMEVTI-LXVYMNJGSA-N 0 3 312.207 2.466 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](c3ccco3)C1)[C@@H](O)CO2 ZINC000768444386 641082668 /nfs/dbraw/zinc/08/26/68/641082668.db2.gz AQDSRVBXXPUGBZ-NHYWBVRUSA-N 0 3 301.342 2.401 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](c3ccco3)C1)[C@@H](O)CO2 ZINC000768444386 641082673 /nfs/dbraw/zinc/08/26/73/641082673.db2.gz AQDSRVBXXPUGBZ-NHYWBVRUSA-N 0 3 301.342 2.401 20 10 DECDHN CC(C)[C@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCS1 ZINC000768465374 641084410 /nfs/dbraw/zinc/08/44/10/641084410.db2.gz HNYSIJXHIAZERU-GOEBONIOSA-N 0 3 309.431 2.391 20 10 DECDHN CC(C)[C@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCS1 ZINC000768465374 641084415 /nfs/dbraw/zinc/08/44/15/641084415.db2.gz HNYSIJXHIAZERU-GOEBONIOSA-N 0 3 309.431 2.391 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c([O-])c1 ZINC000769188810 641190808 /nfs/dbraw/zinc/19/08/08/641190808.db2.gz JIYHUEBXYZJVSZ-CYBMUJFWSA-N 0 3 306.406 2.268 20 10 DECDHN CCOc1ccc(C[N@H+]2CCC[C@H](CCC(N)=O)C2)c([O-])c1 ZINC000769188810 641190813 /nfs/dbraw/zinc/19/08/13/641190813.db2.gz JIYHUEBXYZJVSZ-CYBMUJFWSA-N 0 3 306.406 2.268 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c([O-])c1 ZINC000769334366 641220713 /nfs/dbraw/zinc/22/07/13/641220713.db2.gz NYSHDVPZHYGHQY-CQSZACIVSA-N 0 3 302.378 2.220 20 10 DECDHN CCOc1ccc(C[N@H+]2CCC[C@@H](n3cncn3)C2)c([O-])c1 ZINC000769334366 641220720 /nfs/dbraw/zinc/22/07/20/641220720.db2.gz NYSHDVPZHYGHQY-CQSZACIVSA-N 0 3 302.378 2.220 20 10 DECDHN CCN(CC)c1ccc(CN2CCN(C(C)(C)CO)CC2)cc1 ZINC000769444737 641240975 /nfs/dbraw/zinc/24/09/75/641240975.db2.gz DHHYYKRUQXAMNI-UHFFFAOYSA-N 0 3 319.493 2.421 20 10 DECDHN CN1CCO[C@H]2CN(Cc3ccc(N4CCCCC4)cc3)C[C@H]21 ZINC000769481675 641247946 /nfs/dbraw/zinc/24/79/46/641247946.db2.gz DGBPOYDHTXIFQS-MOPGFXCFSA-N 0 3 315.461 2.192 20 10 DECDHN CCOc1ccc(C[N@H+](C)C[C@@H]2CCN(C(C)=O)C2)c([O-])c1 ZINC000770379093 641362829 /nfs/dbraw/zinc/36/28/29/641362829.db2.gz IOBVELVTDZTQBN-AWEZNQCLSA-N 0 3 306.406 2.091 20 10 DECDHN CCOc1ccc(C[N@@H+](C)C[C@@H]2CCN(C(C)=O)C2)c([O-])c1 ZINC000770379093 641362835 /nfs/dbraw/zinc/36/28/35/641362835.db2.gz IOBVELVTDZTQBN-AWEZNQCLSA-N 0 3 306.406 2.091 20 10 DECDHN C[C@H]1[C@H](C)N(Cc2ccc(N3CCOCC3)c(F)c2)CCN1C ZINC000775986919 642120414 /nfs/dbraw/zinc/12/04/14/642120414.db2.gz SQWAGVFQJIKJCB-GJZGRUSLSA-N 0 3 321.440 2.187 20 10 DECDHN CC[C@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)c1ccc(C)cc1[O-] ZINC000903428729 643346817 /nfs/dbraw/zinc/34/68/17/643346817.db2.gz LISJGXBJZMDSHS-AWEZNQCLSA-N 0 3 317.389 2.094 20 10 DECDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc(N)nc1 ZINC000843060387 650881223 /nfs/dbraw/zinc/88/12/23/650881223.db2.gz GNLCSJQCVAJHHU-UHFFFAOYSA-N 0 3 312.417 2.132 20 10 DECDHN COc1ccc(CNCc2cc3c(cc2OC)OCO3)c(O)c1 ZINC000793388486 644244374 /nfs/dbraw/zinc/24/43/74/644244374.db2.gz OZGXWOVJABJOQU-UHFFFAOYSA-N 0 3 317.341 2.428 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCOC[C@@H](C3CCC3)C1)[C@@H](O)CO2 ZINC000793740933 644295105 /nfs/dbraw/zinc/29/51/05/644295105.db2.gz GYZIYHVQCBKOOU-YOEHRIQHSA-N 0 3 319.401 2.067 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCOC[C@@H](C3CCC3)C1)[C@@H](O)CO2 ZINC000793740933 644295114 /nfs/dbraw/zinc/29/51/14/644295114.db2.gz GYZIYHVQCBKOOU-YOEHRIQHSA-N 0 3 319.401 2.067 20 10 DECDHN COc1cc(C)cc(CN2C[C@H](C)O[C@@]3(CCCOC3)C2)c1O ZINC000794892480 644488168 /nfs/dbraw/zinc/48/81/68/644488168.db2.gz VHGSVGCYVFXDNN-KSSFIOAISA-N 0 3 321.417 2.479 20 10 DECDHN C[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1cc(F)ccc1[O-] ZINC000806173053 645806285 /nfs/dbraw/zinc/80/62/85/645806285.db2.gz DPGGUTTUMZIHBI-WDEREUQCSA-N 0 3 301.383 2.007 20 10 DECDHN COc1cc(C)cc(CN2CCC[C@@H](OC(=O)N(C)C)C2)c1O ZINC000840105946 645971493 /nfs/dbraw/zinc/97/14/93/645971493.db2.gz GJYXZMPAUXXVMK-CQSZACIVSA-N 0 3 322.405 2.372 20 10 DECDHN COc1cccc(CNCc2cc(C(F)(F)F)n[nH]2)c1O ZINC000809739960 646271938 /nfs/dbraw/zinc/27/19/38/646271938.db2.gz IJDTZXRFHIMOKS-UHFFFAOYSA-N 0 3 301.268 2.433 20 10 DECDHN COc1cccc(CNCc2ncc(CN(C)C)s2)c1O ZINC000809741781 646273907 /nfs/dbraw/zinc/27/39/07/646273907.db2.gz WGPJAEGJGIBQQR-UHFFFAOYSA-N 0 3 307.419 2.209 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](CO)c2cccnc2)c1[O-] ZINC000809777993 646282571 /nfs/dbraw/zinc/28/25/71/646282571.db2.gz KRQBQXDJQDYZMZ-ZDUSSCGKSA-N 0 3 322.792 2.315 20 10 DECDHN CN(C)c1ccc(CNC2COCCOC2)c(C(F)(F)F)c1 ZINC000814172358 646857030 /nfs/dbraw/zinc/85/70/30/646857030.db2.gz JYMMPSODLUOPOK-UHFFFAOYSA-N 0 3 318.339 2.276 20 10 DECDHN CCO[C@@H]1C[C@@H](NCc2ccc3c(c2)CCO3)[C@@H]1n1cccn1 ZINC000815166925 646982688 /nfs/dbraw/zinc/98/26/88/646982688.db2.gz MKFVWFRKMWLZRB-NXHRZFHOSA-N 0 3 313.401 2.326 20 10 DECDHN CCOc1cccc(CNC2CN(C(=O)OC(C)(C)C)C2)c1O ZINC000152509319 647200630 /nfs/dbraw/zinc/20/06/30/647200630.db2.gz GPCASDZEYNAEFK-UHFFFAOYSA-N 0 3 322.405 2.500 20 10 DECDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2=O)c1[O-] ZINC000818361674 647458232 /nfs/dbraw/zinc/45/82/32/647458232.db2.gz MNEGLNLFRBZGAJ-JOYOIKCWSA-N 0 3 310.781 2.152 20 10 DECDHN COCC(C)(C)N1CCN(Cc2cc(C)cc(OC)c2O)CC1 ZINC000819893111 647736733 /nfs/dbraw/zinc/73/67/33/647736733.db2.gz DVLXXNFRUUOXSC-UHFFFAOYSA-N 0 3 322.449 2.252 20 10 DECDHN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCN1C1CCCC1 ZINC000821807547 648112146 /nfs/dbraw/zinc/11/21/46/648112146.db2.gz VOUKUSSBSGSAOI-WFASDCNBSA-N 0 3 318.417 2.162 20 10 DECDHN [O-]c1ccccc1C[NH2+][C@H](C1CCOCC1)C1(CO)CCC1 ZINC000822525625 648225893 /nfs/dbraw/zinc/22/58/93/648225893.db2.gz KFDBATLTQQOWNA-QGZVFWFLSA-N 0 3 305.418 2.440 20 10 DECDHN CCN(CC)CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000068541869 648475850 /nfs/dbraw/zinc/47/58/50/648475850.db2.gz HRXCDYYCHVGREV-HNNXBMFYSA-N 0 3 319.449 2.042 20 10 DECDHN CCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CCN(C)C1 ZINC000824400907 648581577 /nfs/dbraw/zinc/58/15/77/648581577.db2.gz HIYXGPFJVBWXGV-ZDUSSCGKSA-N 0 3 303.366 2.015 20 10 DECDHN COc1ccc(O)c([C@@H](C)NCC(=O)N2CCC[C@H](C)C2)c1 ZINC000182426782 648902842 /nfs/dbraw/zinc/90/28/42/648902842.db2.gz NRCYJYCOMKUTLS-QWHCGFSZSA-N 0 3 306.406 2.310 20 10 DECDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)c1[O-] ZINC000826846557 648936191 /nfs/dbraw/zinc/93/61/91/648936191.db2.gz WAWHRIPQNKXVRZ-LBPRGKRZSA-N 0 3 306.797 2.468 20 10 DECDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H](Cn3ccnn3)C2)c1[O-] ZINC000826846557 648936192 /nfs/dbraw/zinc/93/61/92/648936192.db2.gz WAWHRIPQNKXVRZ-LBPRGKRZSA-N 0 3 306.797 2.468 20 10 DECDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000827164754 648984586 /nfs/dbraw/zinc/98/45/86/648984586.db2.gz MMIMEBHTVSBTHD-DZGCQCFKSA-N 0 3 310.463 2.116 20 10 DECDHN COc1ccc(N(C)CCN(C)C[C@@H]2CC3(CC3)C(=O)O2)cc1 ZINC000844400319 651122725 /nfs/dbraw/zinc/12/27/25/651122725.db2.gz AMZRRCJSQAFPKP-INIZCTEOSA-N 0 3 318.417 2.159 20 10 DECDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c1[O-] ZINC000846071085 651306425 /nfs/dbraw/zinc/30/64/25/651306425.db2.gz BSKUSKYLCCDCJR-NSHDSACASA-N 0 3 308.809 2.455 20 10 DECDHN COc1ccc(N(C)CCN(C)C(=O)[C@H](C(C)C)N(C)C)cc1 ZINC000846441988 651330991 /nfs/dbraw/zinc/33/09/91/651330991.db2.gz HVMKJKKOIDVDJF-KRWDZBQOSA-N 0 3 321.465 2.176 20 10 DECDHN COCC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848512991 651463907 /nfs/dbraw/zinc/46/39/07/651463907.db2.gz CEGCKSBUDSVCLK-QMMMGPOBSA-N 0 3 304.184 2.460 20 10 DECDHN CCc1cccc(CN2CCN(c3cnn(C)c3)CC2)c1O ZINC000848885855 651545713 /nfs/dbraw/zinc/54/57/13/651545713.db2.gz BACGQXLQLSHDSZ-UHFFFAOYSA-N 0 3 300.406 2.010 20 10 DECDHN COc1cccc([O-])c1C[NH+]1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000848918914 651560775 /nfs/dbraw/zinc/56/07/75/651560775.db2.gz OIIUYCYEKGHRFB-INIZCTEOSA-N 0 3 318.417 2.137 20 10 DECDHN Cn1ncc(C2CCC2)c1CNCc1cc2c(cc1O)OCO2 ZINC000850391105 651918547 /nfs/dbraw/zinc/91/85/47/651918547.db2.gz FMPWYNWBGQGTCW-UHFFFAOYSA-N 0 3 315.373 2.412 20 10 DECDHN Cc1cnc(CCNCc2cc(F)c(N(C)C)cc2F)cn1 ZINC000858175185 652271583 /nfs/dbraw/zinc/27/15/83/652271583.db2.gz HXMCHJMSZMFELY-UHFFFAOYSA-N 0 3 306.360 2.462 20 10 DECDHN CCN(C)c1ccc(CN2CC[C@H](N3CCOC3=O)C2)cc1 ZINC000852438204 652401323 /nfs/dbraw/zinc/40/13/23/652401323.db2.gz NRYSUJCGYRRECQ-INIZCTEOSA-N 0 3 303.406 2.169 20 10 DECDHN O=C(Nc1cccc(N2CCOCC2)c1)c1cccc2c1CNC2 ZINC000852792797 652457944 /nfs/dbraw/zinc/45/79/44/652457944.db2.gz CYHXVLBLUZMHGU-UHFFFAOYSA-N 0 3 323.396 2.379 20 10 DECDHN CN(C)c1ccc(CN(C)C(=O)C2(N)CC3(CCC3)C2)cc1 ZINC000852883299 652474843 /nfs/dbraw/zinc/47/48/43/652474843.db2.gz XNGXFDVHPIMNFJ-UHFFFAOYSA-N 0 3 301.434 2.373 20 10 DECDHN Cc1cc(C(=O)NCCN2CCCC2)c(C)n1-c1ccccn1 ZINC000078872068 683967511 /nfs/dbraw/zinc/96/75/11/683967511.db2.gz YJSJFQJARJFDJS-UHFFFAOYSA-N 0 3 312.417 2.315 20 10 DECDHN COc1cc(Cl)cc(C[NH+]2CCC3(CNC(=O)C3)CC2)c1[O-] ZINC000273739663 685208260 /nfs/dbraw/zinc/20/82/60/685208260.db2.gz LQQPOBABTOXWHQ-UHFFFAOYSA-N 0 3 324.808 2.156 20 10 DECDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)C1(O)CCC1)C1CCCC1 ZINC000929634887 693993857 /nfs/dbraw/zinc/99/38/57/693993857.db2.gz DEGOCARLLKFJHT-KRWDZBQOSA-N 0 3 305.418 2.413 20 10 DECDHN [O-]c1ccccc1C[N@H+](C[C@H](O)C1(O)CCC1)C1CCCC1 ZINC000929634887 693993861 /nfs/dbraw/zinc/99/38/61/693993861.db2.gz DEGOCARLLKFJHT-KRWDZBQOSA-N 0 3 305.418 2.413 20 10 DECDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc2cccnc2c1O ZINC000862028001 686225433 /nfs/dbraw/zinc/22/54/33/686225433.db2.gz MTAQKGPMFIXTND-BETUJISGSA-N 0 3 313.401 2.429 20 10 DECDHN CCC1(N2CCOCC2)CC[NH+](Cc2ccccc2[O-])CC1 ZINC000862534808 686316573 /nfs/dbraw/zinc/31/65/73/686316573.db2.gz HRMIZMXVFIIEOO-UHFFFAOYSA-N 0 3 304.434 2.469 20 10 DECDHN [O-]c1cc2c(cc1C[NH2+]C[C@H]1CCC13CCOCC3)OCO2 ZINC000865779086 687331428 /nfs/dbraw/zinc/33/14/28/687331428.db2.gz RMUJJWGCRPHALZ-CYBMUJFWSA-N 0 3 305.374 2.417 20 10 DECDHN C[C@H]([NH2+]C[C@H](n1cncn1)C(F)(F)F)c1ccccc1[O-] ZINC000866434976 687572100 /nfs/dbraw/zinc/57/21/00/687572100.db2.gz TUZYFKMCNWPZAJ-CABZTGNLSA-N 0 3 300.284 2.438 20 10 DECDHN COc1cc(CN(C)[C@H]2CCCCN(C)C2=O)c(O)cc1C ZINC000872676863 689063534 /nfs/dbraw/zinc/06/35/34/689063534.db2.gz YLQMKWXPCQAONM-AWEZNQCLSA-N 0 3 306.406 2.152 20 10 DECDHN CN(C)c1ccc(CNC(=O)[C@@H]2CCN2C2CCCC2)cc1 ZINC000873829532 689315429 /nfs/dbraw/zinc/31/54/29/689315429.db2.gz RZOAGQZKJWLJGB-KRWDZBQOSA-N 0 3 301.434 2.386 20 10 DECDHN COC(=O)c1cc(CNCCCSc2nccs2)on1 ZINC000877061914 690011090 /nfs/dbraw/zinc/01/10/90/690011090.db2.gz UZVGUHSBGKHZBG-UHFFFAOYSA-N 0 3 313.404 2.190 20 10 DECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCO[C@H](c2ccnn2C)C1 ZINC000877571015 690155203 /nfs/dbraw/zinc/15/52/03/690155203.db2.gz QHRDTSDQMWBQFA-DYVFJYSZSA-N 0 3 301.390 2.444 20 10 DECDHN Cc1cccc([O-])c1C[NH+]1CCC([C@@H](O)c2ccnn2C)CC1 ZINC000877646835 690178559 /nfs/dbraw/zinc/17/85/59/690178559.db2.gz LTQYNEHJMRMBIB-GOSISDBHSA-N 0 3 315.417 2.380 20 10 DECDHN COc1ccc(O)c(CN2CCCN(C(=O)CC(C)C)CC2)c1 ZINC000877773987 690222372 /nfs/dbraw/zinc/22/23/72/690222372.db2.gz CJHQGGBSJDGBIN-UHFFFAOYSA-N 0 3 320.433 2.481 20 10 DECDHN C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC(C)(C)C)c1ccccc1[O-] ZINC000879648504 690699260 /nfs/dbraw/zinc/69/92/60/690699260.db2.gz RJSXGOQLYIHWBY-MNOVXSKESA-N 0 3 307.394 2.056 20 10 DECDHN Cc1cc(CN2CCN(CCCCCO)CC2)ccc1N(C)C ZINC000931496149 694412962 /nfs/dbraw/zinc/41/29/62/694412962.db2.gz RXPGNWMEOQSTTH-UHFFFAOYSA-N 0 3 319.493 2.341 20 10 DECDHN C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000895328476 692995657 /nfs/dbraw/zinc/99/56/57/692995657.db2.gz GKPFGPYTHOJNIX-IEBWSBKVSA-N 0 3 313.397 2.377 20 10 DECDHN C[C@]1(CO)C[C@@H](O)C[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000895328476 692995660 /nfs/dbraw/zinc/99/56/60/692995660.db2.gz GKPFGPYTHOJNIX-IEBWSBKVSA-N 0 3 313.397 2.377 20 10 DECDHN Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H](C)c1cnn(C)n1 ZINC000926596583 693477321 /nfs/dbraw/zinc/47/73/21/693477321.db2.gz QCCLKAFBVGMGIO-KBPBESRZSA-N 0 3 301.438 2.471 20 10 DECDHN COc1ccc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c([O-])c1 ZINC000093691797 780627959 /nfs/dbraw/zinc/62/79/59/780627959.db2.gz FPTRLYSMFIXJDN-MRXNPFEDSA-N 0 3 300.358 2.449 20 10 DECDHN COc1ccc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)c([O-])c1 ZINC000093691797 780627963 /nfs/dbraw/zinc/62/79/63/780627963.db2.gz FPTRLYSMFIXJDN-MRXNPFEDSA-N 0 3 300.358 2.449 20 10 DECDHN NCc1ccc2c(n1)N(c1cc(-c3cccnc3)ncn1)CCC2 ZINC001169590487 785250984 /nfs/dbraw/zinc/25/09/84/785250984.db2.gz OJMPHYRFLXTJLP-UHFFFAOYSA-N 0 3 318.384 2.477 20 10 DECDHN O=[N+]([O-])c1cc2c(cc1NCc1ccc(O)c(O)c1)CNC2 ZINC001169995156 785835432 /nfs/dbraw/zinc/83/54/32/785835432.db2.gz QSZLUIARRJREOI-UHFFFAOYSA-N 0 3 301.302 2.221 20 10 DECDHN C[NH+]1CCC2(CCN(C(=O)c3cccc(O)c3[O-])CC2)CC1 ZINC001148218654 791712911 /nfs/dbraw/zinc/71/29/11/791712911.db2.gz JVADTFQDOPXGJQ-UHFFFAOYSA-N 0 3 304.390 2.046 20 10 DECDHN C[NH+]1C(C)(C)CC(NC(=O)c2cccc(O)c2[O-])CC1(C)C ZINC001148224400 791715078 /nfs/dbraw/zinc/71/50/78/791715078.db2.gz JZERNSCEXZNOQE-UHFFFAOYSA-N 0 3 306.406 2.479 20 10 DECDHN CNC(=O)NC[C@H]1CCCCN1Cc1ccc(N(C)C)c(C)c1 ZINC001175362230 794190734 /nfs/dbraw/zinc/19/07/34/794190734.db2.gz SJFLQWPOCSASTI-MRXNPFEDSA-N 0 3 318.465 2.345 20 10 DECDHN COc1cc(CN2CCC[C@H]2C(C)=O)cc(CN(C)C)c1O ZINC001139260718 796351450 /nfs/dbraw/zinc/35/14/50/796351450.db2.gz WOZJHIKCAPRVBQ-HNNXBMFYSA-N 0 3 306.406 2.016 20 10 DECDHN CCN1CC[C@]2(CCC[N@H+](Cc3cc(F)ccc3[O-])C2)C1=O ZINC001140054633 796471219 /nfs/dbraw/zinc/47/12/19/796471219.db2.gz UQSUCPDRDWPQSH-KRWDZBQOSA-N 0 3 306.381 2.366 20 10 DECDHN CCN1CC[C@]2(CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)C1=O ZINC001140054633 796471221 /nfs/dbraw/zinc/47/12/21/796471221.db2.gz UQSUCPDRDWPQSH-KRWDZBQOSA-N 0 3 306.381 2.366 20 10 DECDHN CN(C)C1=NOC2(C1)CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001140053955 796471552 /nfs/dbraw/zinc/47/15/52/796471552.db2.gz GEUDGMASDSVMPG-UHFFFAOYSA-N 0 3 307.369 2.161 20 10 DECDHN CCN1CCN(c2ccc(CN3CC4(C3)CCCO4)cc2)CC1 ZINC001140302648 796503269 /nfs/dbraw/zinc/50/32/69/796503269.db2.gz WVQIEECJINQWHI-UHFFFAOYSA-N 0 3 315.461 2.193 20 10 DECDHN CC[N@@H+]1CCO[C@@H]2CN(Cc3c([O-])cccc3Cl)C[C@@H]2C1 ZINC001140339063 796509264 /nfs/dbraw/zinc/50/92/64/796509264.db2.gz DVYOYQVZAGJDPO-BLLLJJGKSA-N 0 3 310.825 2.198 20 10 DECDHN CC[N@H+]1CCO[C@@H]2CN(Cc3c([O-])cccc3Cl)C[C@@H]2C1 ZINC001140339063 796509266 /nfs/dbraw/zinc/50/92/66/796509266.db2.gz DVYOYQVZAGJDPO-BLLLJJGKSA-N 0 3 310.825 2.198 20 10 DECDHN COc1cc(O)c(CN2CC[C@@H]3CCCO[C@@H]3C2)c(OC)c1 ZINC001141026254 796620723 /nfs/dbraw/zinc/62/07/23/796620723.db2.gz JGJDDEOYCWDUBM-YVEFUNNKSA-N 0 3 307.390 2.410 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)c(OC)c1 ZINC001141026254 796620724 /nfs/dbraw/zinc/62/07/24/796620724.db2.gz JGJDDEOYCWDUBM-YVEFUNNKSA-N 0 3 307.390 2.410 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)c(OC)c1 ZINC001141026254 796620725 /nfs/dbraw/zinc/62/07/25/796620725.db2.gz JGJDDEOYCWDUBM-YVEFUNNKSA-N 0 3 307.390 2.410 20 10 DECDHN COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141031749 796621195 /nfs/dbraw/zinc/62/11/95/796621195.db2.gz JFCMGNHNORHCSG-VXGBXAGGSA-N 0 3 323.389 2.183 20 10 DECDHN COC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141031749 796621196 /nfs/dbraw/zinc/62/11/96/796621196.db2.gz JFCMGNHNORHCSG-VXGBXAGGSA-N 0 3 323.389 2.183 20 10 DECDHN COc1cccnc1O[C@H]1CCN(Cc2cc(O)ccc2O)C1 ZINC001141163127 796643877 /nfs/dbraw/zinc/64/38/77/796643877.db2.gz QGFCXHQQRQRHCZ-AWEZNQCLSA-N 0 3 316.357 2.155 20 10 DECDHN CCOC[C@@H]1CN(Cc2ccccc2O)Cc2cnn(C)c21 ZINC001203552530 800079421 /nfs/dbraw/zinc/07/94/21/800079421.db2.gz NHTBQKSTOBYFHK-HNNXBMFYSA-N 0 3 301.390 2.262 20 10 DECDHN CCOc1cccc(CN2CCc3c(cc[nH]c3=O)C2)c1O ZINC001203615314 800090458 /nfs/dbraw/zinc/09/04/58/800090458.db2.gz QFRNMVBGXLIWHB-UHFFFAOYSA-N 0 3 300.358 2.450 20 10 DECDHN Oc1ccc(CN2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)c(O)c1 ZINC001204276297 800198890 /nfs/dbraw/zinc/19/88/90/800198890.db2.gz JTESVTIPKNDOJO-CHWSQXEVSA-N 0 3 323.286 2.325 20 10 DECDHN CC(C)(C)OC(=O)N1C[C@H]2CN(Cc3ccc(O)cc3O)C[C@@H]21 ZINC001204277868 800199655 /nfs/dbraw/zinc/19/96/55/800199655.db2.gz MYTZZQXKADTXST-OCCSQVGLSA-N 0 3 320.389 2.149 20 10 DECDHN COc1cccc(O[C@@H]2CC[N@H+](Cc3ccc(O)cc3[O-])C2)n1 ZINC001204278206 800200449 /nfs/dbraw/zinc/20/04/49/800200449.db2.gz YDMNUNBWQYPKOW-CQSZACIVSA-N 0 3 316.357 2.155 20 10 DECDHN COc1cccc(O[C@@H]2CC[N@@H+](Cc3ccc(O)cc3[O-])C2)n1 ZINC001204278206 800200454 /nfs/dbraw/zinc/20/04/54/800200454.db2.gz YDMNUNBWQYPKOW-CQSZACIVSA-N 0 3 316.357 2.155 20 10 DECDHN COc1cc(C)c(C[NH2+]CCc2cccc(C(N)=O)c2)c([O-])c1 ZINC001205411322 800354516 /nfs/dbraw/zinc/35/45/16/800354516.db2.gz AKDHYVFRPJUVEZ-UHFFFAOYSA-N 0 3 314.385 2.140 20 10 DECDHN [NH3+]C[C@@]1(O)CCCCN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001205725445 800408685 /nfs/dbraw/zinc/40/86/85/800408685.db2.gz HOWKMCXNLXLVRU-AWEZNQCLSA-N 0 3 318.339 2.087 20 10 DECDHN COc1cc([O-])c(CN2CCC(F)(F)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC001205789335 800421306 /nfs/dbraw/zinc/42/13/06/800421306.db2.gz YFNJVDKLTMVOJO-VIFPVBQESA-N 0 3 320.767 2.470 20 10 DECDHN COc1cc(C)c(C[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)c([O-])c1 ZINC001207691218 800807504 /nfs/dbraw/zinc/80/75/04/800807504.db2.gz BUKZROLABOICLE-XGHVKYEFSA-N 0 3 307.390 2.481 20 10 DECDHN COC(=O)[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CCCO1 ZINC001231589441 801691262 /nfs/dbraw/zinc/69/12/62/801691262.db2.gz JIDIPSVAEFHSAN-QGZVFWFLSA-N 0 3 315.369 2.309 20 10 DECDHN COC(=O)[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CCCO1 ZINC001231589441 801691264 /nfs/dbraw/zinc/69/12/64/801691264.db2.gz JIDIPSVAEFHSAN-QGZVFWFLSA-N 0 3 315.369 2.309 20 10 DECDHN C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(Cl)c2)CCN1C ZINC001232200081 801814139 /nfs/dbraw/zinc/81/41/39/801814139.db2.gz PDLHUNNMYBAQCQ-CQSZACIVSA-N 0 3 323.868 2.313 20 10 DECDHN COc1cccc(CCN(C)Cc2cc(O)c(O)c(O)c2)c1 ZINC001233013712 802002755 /nfs/dbraw/zinc/00/27/55/802002755.db2.gz SGEZUKVVFRZCRZ-UHFFFAOYSA-N 0 3 303.358 2.487 20 10 DECDHN CCOC(=O)C1(CC)CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233486952 802127715 /nfs/dbraw/zinc/12/77/15/802127715.db2.gz JIFAFFMMVDYKGZ-UHFFFAOYSA-N 0 3 323.389 2.359 20 10 DECDHN C[C@@H]1C[C@H](Oc2cccc3c2C(=O)c2cccc([O-])c2C3=O)C[NH2+]1 ZINC001218046127 802137619 /nfs/dbraw/zinc/13/76/19/802137619.db2.gz KMBQLQVPHSIEKT-MNOVXSKESA-N 0 3 323.348 2.297 20 10 DECDHN O=C(c1ccccc1)c1ccc([O-])c(O)c1O[C@@H]1CCC[NH2+]C1 ZINC001218283215 802163641 /nfs/dbraw/zinc/16/36/41/802163641.db2.gz IIWRUOHTEZUADG-CYBMUJFWSA-N 0 3 313.353 2.460 20 10 DECDHN COc1ccc(CN[C@@](C)(CO)c2ccccc2)c(O)c1OC ZINC001334955922 1150359952 /nfs/dbraw/zinc/35/99/52/1150359952.db2.gz LZSZYPKOSADYEO-SFHVURJKSA-N 0 3 317.385 2.407 20 10 DECDHN CCOCc1cc(CN[C@H]2CC(=O)N(C(C)C)C2)ccc1OC ZINC001474015688 1060796295 /nfs/dbraw/zinc/79/62/95/1060796295.db2.gz GLTNWYSISINWJP-INIZCTEOSA-N 0 3 320.433 2.331 20 10 DECDHN C[N@H+](CCCO)C1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001651952275 1079843032 /nfs/dbraw/zinc/84/30/32/1079843032.db2.gz KCEVZLYPTAUUHI-UHFFFAOYSA-N 0 3 312.841 2.324 20 10 DECDHN C[N@@H+](CCCO)C1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001651952275 1079843037 /nfs/dbraw/zinc/84/30/37/1079843037.db2.gz KCEVZLYPTAUUHI-UHFFFAOYSA-N 0 3 312.841 2.324 20 10 DECDHN Cc1cc(CCNc2nc(N)nc(N)n2)c(C)n1-c1ccccc1 ZINC001655733614 1080016130 /nfs/dbraw/zinc/01/61/30/1080016130.db2.gz OMABCQJMOFNBIH-UHFFFAOYSA-N 0 3 323.404 2.098 20 10 DECDHN CCOC(OCC)[C@@H](C)NCc1ccc(N2CCOCC2)cc1 ZINC001658198865 1080202378 /nfs/dbraw/zinc/20/23/78/1080202378.db2.gz XJQHFLUREXLIAM-OAHLLOKOSA-N 0 3 322.449 2.400 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c([O-])c1 ZINC001658912021 1080221806 /nfs/dbraw/zinc/22/18/06/1080221806.db2.gz YUGQFMVATFZSEE-GOEBONIOSA-N 0 3 309.431 2.416 20 10 DECDHN COc1cc(C)c(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c([O-])c1 ZINC001658912021 1080221814 /nfs/dbraw/zinc/22/18/14/1080221814.db2.gz YUGQFMVATFZSEE-GOEBONIOSA-N 0 3 309.431 2.416 20 10 DECDHN Cc1cc([O-])c(C[NH2+][C@H](C)[C@@H]2CN(C)CCN2C)cc1Cl ZINC001660047242 1080260263 /nfs/dbraw/zinc/26/02/63/1080260263.db2.gz HMOWUXZTAPESSE-DOMZBBRYSA-N 0 3 311.857 2.078 20 10 DECDHN CCCN1C[C@@H](C[NH2+]Cc2c(C)cc(OC)cc2[O-])CC1=O ZINC001665031848 1080984541 /nfs/dbraw/zinc/98/45/41/1080984541.db2.gz JKKBFFGMGQDUPP-CYBMUJFWSA-N 0 3 306.406 2.057 20 10 DECDHN CN(C)C(=O)[C@H]1[C@H]2CC[C@@H]1CN(Cc1ccc(N(C)C)cc1)C2 ZINC001276958030 1083700895 /nfs/dbraw/zinc/70/08/95/1083700895.db2.gz CKGJQOXGVASLAG-ALXJQNPVSA-N 0 3 315.461 2.299 20 10 DECDHN CCN1CCN(c2ccc(O[C@H]3C=C(C)OC(=O)C3)cc2)CC1 ZINC001234658265 1084190742 /nfs/dbraw/zinc/19/07/42/1084190742.db2.gz YWOZEGYWGQFYIG-KRWDZBQOSA-N 0 3 316.401 2.427 20 10 DECDHN Cc1cc(CN2CCC[C@H]3[NH2+]C[C@@H]32)c([O-])cc1Br ZINC001235307230 1084381961 /nfs/dbraw/zinc/38/19/61/1084381961.db2.gz UVBMBQCLQOAWNK-OLZOCXBDSA-N 0 3 311.223 2.399 20 10 DECDHN CC[C@@H](C)N1CC[C@]2(CCCN2Cc2ccc(O)cc2O)C1=O ZINC001272982109 1085776733 /nfs/dbraw/zinc/77/67/33/1085776733.db2.gz FJXFERDHTJMKLH-FZKQIMNGSA-N 0 3 318.417 2.463 20 10 DECDHN CC(C)NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3[O-])[C@@H]2C1 ZINC001275267569 1091645039 /nfs/dbraw/zinc/64/50/39/1091645039.db2.gz RGIXEFIIEFKNOY-DZGCQCFKSA-N 0 3 303.406 2.016 20 10 DECDHN CC(C)NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3[O-])[C@@H]2C1 ZINC001275267569 1091645045 /nfs/dbraw/zinc/64/50/45/1091645045.db2.gz RGIXEFIIEFKNOY-DZGCQCFKSA-N 0 3 303.406 2.016 20 10 DECDHN C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1cc(Br)ccc1[O-] ZINC001275275360 1091646087 /nfs/dbraw/zinc/64/60/87/1091646087.db2.gz IHAAIRXRYHJSSV-STQMWFEESA-N 0 3 311.223 2.433 20 10 DECDHN C[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1cc(Br)ccc1[O-] ZINC001275275360 1091646093 /nfs/dbraw/zinc/64/60/93/1091646093.db2.gz IHAAIRXRYHJSSV-STQMWFEESA-N 0 3 311.223 2.433 20 10 DECDHN CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001275914248 1092300699 /nfs/dbraw/zinc/30/06/99/1092300699.db2.gz ZJYGERYGWMSYEV-WFASDCNBSA-N 0 3 321.396 2.155 20 10 DECDHN CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001275914248 1092300713 /nfs/dbraw/zinc/30/07/13/1092300713.db2.gz ZJYGERYGWMSYEV-WFASDCNBSA-N 0 3 321.396 2.155 20 10 DECDHN C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1c([O-])cccc1Br ZINC001275945058 1092365742 /nfs/dbraw/zinc/36/57/42/1092365742.db2.gz IPXFQFFVJFRXMH-STQMWFEESA-N 0 3 311.223 2.433 20 10 DECDHN C[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1c([O-])cccc1Br ZINC001275945058 1092365749 /nfs/dbraw/zinc/36/57/49/1092365749.db2.gz IPXFQFFVJFRXMH-STQMWFEESA-N 0 3 311.223 2.433 20 10 DECDHN CCc1ccc(CN2CCN(c3cc(C)ncn3)CC2)c(O)c1 ZINC001236788865 1138428672 /nfs/dbraw/zinc/42/86/72/1138428672.db2.gz RSSZBYQOCNPPTH-UHFFFAOYSA-N 0 3 312.417 2.375 20 10 DECDHN COc1cc(C)c(C[N@H+](C)[C@H]2CCC3(C2)OCCO3)c([O-])c1 ZINC001236815453 1138438895 /nfs/dbraw/zinc/43/88/95/1138438895.db2.gz LUBBQDQSEVWILE-ZDUSSCGKSA-N 0 3 307.390 2.437 20 10 DECDHN COc1cc(C)c(C[N@@H+](C)[C@H]2CCC3(C2)OCCO3)c([O-])c1 ZINC001236815453 1138438897 /nfs/dbraw/zinc/43/88/97/1138438897.db2.gz LUBBQDQSEVWILE-ZDUSSCGKSA-N 0 3 307.390 2.437 20 10 DECDHN C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2Cl)CCN1C ZINC001236918413 1138457027 /nfs/dbraw/zinc/45/70/27/1138457027.db2.gz HJSODIBGGTXDRH-CQSZACIVSA-N 0 3 323.868 2.313 20 10 DECDHN COc1cc(CN2CC(N3CCCCC3)C2)c(O)c(OC)c1 ZINC001237679461 1138751873 /nfs/dbraw/zinc/75/18/73/1138751873.db2.gz VJXAICRUSGTORT-UHFFFAOYSA-N 0 3 306.406 2.080 20 10 DECDHN Cc1cc([O-])c(C[N@H+]2CC[C@H](CO)C2)cc1Br ZINC001237679657 1138756975 /nfs/dbraw/zinc/75/69/75/1138756975.db2.gz TZVROQHMVLREEH-JTQLQIEISA-N 0 3 300.196 2.277 20 10 DECDHN Cc1cc([O-])c(C[N@@H+]2CC[C@H](CO)C2)cc1Br ZINC001237679657 1138756962 /nfs/dbraw/zinc/75/69/62/1138756962.db2.gz TZVROQHMVLREEH-JTQLQIEISA-N 0 3 300.196 2.277 20 10 DECDHN Cc1n[nH]c(=O)c(CNCc2ccc(N(C)C)c(F)c2)c1C ZINC001321800625 1141346008 /nfs/dbraw/zinc/34/60/08/1141346008.db2.gz IIRVZHONSZUYNZ-UHFFFAOYSA-N 0 3 304.369 2.294 20 10 DECDHN COc1ccc(-c2noc(C[C@@H]([NH3+])c3ccccc3[O-])n2)cn1 ZINC001249339061 1141876817 /nfs/dbraw/zinc/87/68/17/1141876817.db2.gz GZSKSXCZEZXHKB-GFCCVEGCSA-N 0 3 312.329 2.088 20 10 DECDHN Cc1ccc(CN2CC[C@H](NCc3ccc(N)cc3)C2=O)cc1 ZINC001336284672 1142394949 /nfs/dbraw/zinc/39/49/49/1142394949.db2.gz BPFRWZWWKJTHTP-SFHVURJKSA-N 0 3 309.413 2.468 20 10 DECDHN CC(C)(C)OC(=O)[C@H](O)C[NH2+]Cc1cc2ccccc2cc1[O-] ZINC001253706079 1142894515 /nfs/dbraw/zinc/89/45/15/1142894515.db2.gz IIOJOVZKNPENDW-MRXNPFEDSA-N 0 3 317.385 2.338 20 10 DECDHN COc1cc(C)c(CN2CCCN(C(=O)C3CC3)CC2)c(O)c1 ZINC001308695285 1147482901 /nfs/dbraw/zinc/48/29/01/1147482901.db2.gz HOVIVPQDLBNIFP-UHFFFAOYSA-N 0 3 318.417 2.154 20 10 DECDHN CCN(CC)c1ccc(CN2CCCN(C(N)=O)CC2)cc1 ZINC000092754343 185338199 /nfs/dbraw/zinc/33/81/99/185338199.db2.gz PAZFFYMRJDROIJ-UHFFFAOYSA-N 0 3 304.438 2.119 20 10 DECDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H](C3CC3)C2)cc1 ZINC000378315365 529779827 /nfs/dbraw/zinc/77/98/27/529779827.db2.gz IQZMWZHVJRDTSG-QGZVFWFLSA-N 0 3 315.461 2.443 20 10 DECDHN CC[C@@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1[O-])C(=O)N1CCOCC1 ZINC000273559632 130136743 /nfs/dbraw/zinc/13/67/43/130136743.db2.gz HVVAAZPLSZVDNU-GOEBONIOSA-N 0 3 320.433 2.297 20 10 DECDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCN(C)CC2)c([O-])c1C ZINC000273594148 130141292 /nfs/dbraw/zinc/14/12/92/130141292.db2.gz QBAPJKCNOUOVAZ-ZBFHGGJFSA-N 0 3 305.466 2.296 20 10 DECDHN C[C@H]1C[C@H](N2CCOCC2)CN1Cc1ccc(N(C)C)cc1 ZINC000285835509 131204220 /nfs/dbraw/zinc/20/42/20/131204220.db2.gz HKNPTSSTSWYCBH-YJBOKZPZSA-N 0 3 303.450 2.048 20 10 DECDHN CC[C@H]([NH2+]CCCN1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000285872677 131207543 /nfs/dbraw/zinc/20/75/43/131207543.db2.gz ZBBPZAOMAKRJNM-INIZCTEOSA-N 0 3 309.429 2.210 20 10 DECDHN Cc1cc(Br)cc(C[NH2+]C[C@@H](O)C2CC2)c1[O-] ZINC000289485700 131389972 /nfs/dbraw/zinc/38/99/72/131389972.db2.gz RATLCSAVQOKNEP-GFCCVEGCSA-N 0 3 300.196 2.324 20 10 DECDHN CN(C)c1ccc(CNC(=O)CN(C)C(C2CC2)C2CC2)cc1 ZINC000298308279 132056161 /nfs/dbraw/zinc/05/61/61/132056161.db2.gz YKXZBPGUZBSFBT-UHFFFAOYSA-N 0 3 315.461 2.489 20 10 DECDHN O=C1OCC[C@H]1CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000120529675 401993145 /nfs/dbraw/zinc/99/31/45/401993145.db2.gz AQBXFLOIKJPVES-ZBFHGGJFSA-N 0 3 319.401 2.326 20 10 DECDHN O=C1OCC[C@H]1CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000120529675 401993149 /nfs/dbraw/zinc/99/31/49/401993149.db2.gz AQBXFLOIKJPVES-ZBFHGGJFSA-N 0 3 319.401 2.326 20 10 DECDHN COC(=O)C[C@H]1CSCCN1Cc1ccc(N(C)C)cc1 ZINC000093610413 402017363 /nfs/dbraw/zinc/01/73/63/402017363.db2.gz LYAKINUXWLFMTF-HNNXBMFYSA-N 0 3 308.447 2.233 20 10 DECDHN Oc1cc2c(cc1CN1CC[C@@H](Oc3ccncc3)C1)OCO2 ZINC000121201540 402019817 /nfs/dbraw/zinc/01/98/17/402019817.db2.gz GBNDLMVFYWNWAD-CQSZACIVSA-N 0 3 314.341 2.169 20 10 DECDHN COc1ccc(-n2c(C)cc(C(=O)NCCN(C)C)c2C)cc1 ZINC000153931091 402181001 /nfs/dbraw/zinc/18/10/01/402181001.db2.gz JNUNHTDMRFAYJF-UHFFFAOYSA-N 0 3 315.417 2.394 20 10 DECDHN C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1cc(F)ccc1[O-] ZINC000186090284 402400312 /nfs/dbraw/zinc/40/03/12/402400312.db2.gz QWUPNGHJKGIOLD-SNVBAGLBSA-N 0 3 301.383 2.007 20 10 DECDHN CN1CCCc2cc(CNC(=O)[C@H](N)Cc3ccccc3)ccc21 ZINC000166473849 402485209 /nfs/dbraw/zinc/48/52/09/402485209.db2.gz OXOJUHUXKSMMDZ-GOSISDBHSA-N 0 3 323.440 2.255 20 10 DECDHN CC1CCN(c2ccc(CNC(=O)[C@H]3C[C@H](F)CN3)cc2)CC1 ZINC000188761227 402525291 /nfs/dbraw/zinc/52/52/91/402525291.db2.gz ZIEDFOMDCRJNSH-DOTOQJQBSA-N 0 3 319.424 2.239 20 10 DECDHN Cc1ccc(C(=O)NC[C@H](c2ccccc2)N(C)C)c(O)c1O ZINC000179387320 402588067 /nfs/dbraw/zinc/58/80/67/402588067.db2.gz PFVHYZJRKNSMHR-OAHLLOKOSA-N 0 3 314.385 2.439 20 10 DECDHN COc1ccc([O-])c(C[NH2+]CCOCC(F)(F)C(F)F)c1 ZINC000278340025 402863320 /nfs/dbraw/zinc/86/33/20/402863320.db2.gz HNOMRQZJARJQRA-UHFFFAOYSA-N 0 3 311.275 2.407 20 10 DECDHN COc1ccc([O-])c(C[NH+]2CCC(C3(C)OCCO3)CC2)c1 ZINC000271748878 402883604 /nfs/dbraw/zinc/88/36/04/402883604.db2.gz UKIKMOQCUSUODY-UHFFFAOYSA-N 0 3 307.390 2.376 20 10 DECDHN COc1cc([O-])c(C[NH2+]CC2(CCO)CCCC2)cc1OC ZINC000271778598 402884196 /nfs/dbraw/zinc/88/41/96/402884196.db2.gz CZWRINNTDCWPJI-UHFFFAOYSA-N 0 3 309.406 2.442 20 10 DECDHN COc1cc([O-])c(C[NH2+]CCc2ccc(O)cc2)cc1OC ZINC000271843978 402884670 /nfs/dbraw/zinc/88/46/70/402884670.db2.gz GLPCFAZNPKQHTM-UHFFFAOYSA-N 0 3 303.358 2.447 20 10 DECDHN Cc1cccc(C[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)c1[O-] ZINC000271876975 402884944 /nfs/dbraw/zinc/88/49/44/402884944.db2.gz ZPFRIXAQBGRKCS-DLBZAZTESA-N 0 3 301.386 2.275 20 10 DECDHN COc1ccc(O)c(CN2C[C@H](C)OC3(CCOCC3)C2)c1 ZINC000280547673 403011666 /nfs/dbraw/zinc/01/16/66/403011666.db2.gz TUGGHXGNXFIYOB-ZDUSSCGKSA-N 0 3 307.390 2.171 20 10 DECDHN CN(C)c1ccc(CN[C@H]2CCC(=O)NC23CCC3)cc1F ZINC000282853662 403162062 /nfs/dbraw/zinc/16/20/62/403162062.db2.gz PRYBRBSYKNTWQT-HNNXBMFYSA-N 0 3 305.397 2.183 20 10 DECDHN COCCOC1(C[NH2+]Cc2cc(C)c(C)cc2[O-])CCOCC1 ZINC000294815858 403735686 /nfs/dbraw/zinc/73/56/86/403735686.db2.gz OJHJZUYWUJVLQV-UHFFFAOYSA-N 0 3 323.433 2.311 20 10 DECDHN CCn1cc([C@@H](C)NCc2cc(OC)c(OC)cc2O)cn1 ZINC000294867987 403736230 /nfs/dbraw/zinc/73/62/30/403736230.db2.gz PAIVCSUTNCYFJW-LLVKDONJSA-N 0 3 305.378 2.477 20 10 DECDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000418100988 229220099 /nfs/dbraw/zinc/22/00/99/229220099.db2.gz QPJMPPASNSEYSH-KGLIPLIRSA-N 0 3 314.433 2.379 20 10 DECDHN CCOc1ccc(O)c(CN2CC[C@@H](C(=O)OC)[C@H](C)C2)c1 ZINC000188120942 521145935 /nfs/dbraw/zinc/14/59/35/521145935.db2.gz UELUDJIGTJYSCI-IUODEOHRSA-N 0 3 307.390 2.422 20 10 DECDHN CNC(=O)[C@]1(C)CC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000228099291 521774515 /nfs/dbraw/zinc/77/45/15/521774515.db2.gz OTSFDKVKIIZWCN-OAHLLOKOSA-N 0 3 312.797 2.012 20 10 DECDHN CNC(=O)[C@]1(C)CC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000228099291 521774523 /nfs/dbraw/zinc/77/45/23/521774523.db2.gz OTSFDKVKIIZWCN-OAHLLOKOSA-N 0 3 312.797 2.012 20 10 DECDHN CN(C)c1ccc(CN2CC[C@H](CN3CCOCC3)C2)cc1F ZINC000130994384 522181716 /nfs/dbraw/zinc/18/17/16/522181716.db2.gz PTDCINNTSAPPHH-MRXNPFEDSA-N 0 3 321.440 2.046 20 10 DECDHN COc1cc(O)c(CN2CCN3CCCC[C@@H]3C2)cc1OC ZINC000179892939 522774400 /nfs/dbraw/zinc/77/44/00/522774400.db2.gz DTEJOIKJFORHGR-CQSZACIVSA-N 0 3 306.406 2.080 20 10 DECDHN COc1cc([O-])c(C[NH2+]C[C@](C)(O)c2ccccc2)cc1OC ZINC000182218348 522780309 /nfs/dbraw/zinc/78/03/09/522780309.db2.gz VXMKBUQDEBCHQX-SFHVURJKSA-N 0 3 317.385 2.407 20 10 DECDHN COC(=O)C[C@H]1CSCCN1Cc1cc(C)c(C)cc1O ZINC000156337341 523357922 /nfs/dbraw/zinc/35/79/22/523357922.db2.gz ZMQWGWBIYUOHJJ-AWEZNQCLSA-N 0 3 309.431 2.490 20 10 DECDHN O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccccc3[O-])CC2)n1 ZINC000365115598 527407517 /nfs/dbraw/zinc/40/75/17/527407517.db2.gz GRFZADIDCLKAAO-UHFFFAOYSA-N 0 3 302.334 2.334 20 10 DECDHN Nc1ccc(NC(=O)CC2(N3CCOCC3)CCCC2)cc1 ZINC000237971305 527491882 /nfs/dbraw/zinc/49/18/82/527491882.db2.gz KDQINZYIGMBEKG-UHFFFAOYSA-N 0 3 303.406 2.242 20 10 DECDHN CCN1CC[C@@H](NC(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000413504243 527783571 /nfs/dbraw/zinc/78/35/71/527783571.db2.gz PXZQFEJOIRMWRV-CQSZACIVSA-N 0 3 314.433 2.380 20 10 DECDHN CCOc1cccc(CN[C@@H](CC(N)=O)c2ccccc2)c1O ZINC000292956968 535462248 /nfs/dbraw/zinc/46/22/48/535462248.db2.gz JCBXSDZNDGACKQ-HNNXBMFYSA-N 0 3 314.385 2.497 20 10 DECDHN CN(C)c1ccc(/C=C/CNCC(C)(C)S(C)(=O)=O)cc1 ZINC000835041653 649870423 /nfs/dbraw/zinc/87/04/23/649870423.db2.gz CSGHREADYDANRX-VOTSOKGWSA-N 0 3 310.463 2.179 20 10 DECDHN C[C@@H](NC/C=C/c1ccc(N(C)C)cc1)C1(S(C)(=O)=O)CC1 ZINC000835052494 649872375 /nfs/dbraw/zinc/87/23/75/649872375.db2.gz DOFOWQJFWRHJIF-VBROQKIQSA-N 0 3 322.474 2.321 20 10 DECDHN C[C@H]1CCC[C@](CNC(=O)c2cccc(O)c2[O-])([NH+](C)C)C1 ZINC000192989245 625594417 /nfs/dbraw/zinc/59/44/17/625594417.db2.gz LXAVDTMTWKSGDY-SJCJKPOMSA-N 0 3 306.406 2.338 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)[C@]2(C)CCCO2)N(C)C)cc1 ZINC000891253488 623799661 /nfs/dbraw/zinc/79/96/61/623799661.db2.gz SRLTYINMCZZXII-AEFFLSMTSA-N 0 3 319.449 2.041 20 10 DECDHN CSCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891258538 623806872 /nfs/dbraw/zinc/80/68/72/623806872.db2.gz SUSQVMPUSFQEDF-HNNXBMFYSA-N 0 3 309.479 2.225 20 10 DECDHN O=C(NC[C@H]1NCCc2ccccc21)N1Cc2cccc(O)c2C1 ZINC000892118991 624788123 /nfs/dbraw/zinc/78/81/23/624788123.db2.gz JXFKADQWAYZFKB-QGZVFWFLSA-N 0 3 323.396 2.304 20 10 DECDHN CCN1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C(C)(C)C1 ZINC000977663561 634091461 /nfs/dbraw/zinc/09/14/61/634091461.db2.gz SKVZCCWGUHZYFW-CYBMUJFWSA-N 0 3 317.393 2.309 20 10 DECDHN C[C@@H](NCc1ccc2c(c1)CCCO2)C1(S(C)(=O)=O)CC1 ZINC000922121968 635880671 /nfs/dbraw/zinc/88/06/71/635880671.db2.gz JPIJWDPDHGTSDW-GFCCVEGCSA-N 0 3 309.431 2.067 20 10 DECDHN CCOc1ccc(C[NH2+][C@H]2CCCN3CCSC[C@@H]23)c([O-])c1 ZINC000922524474 636217547 /nfs/dbraw/zinc/21/75/47/636217547.db2.gz KXTBVUSWWVBHBJ-HOTGVXAUSA-N 0 3 322.474 2.460 20 10 DECDHN C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cccc(O)c1[O-] ZINC000251437143 636269341 /nfs/dbraw/zinc/26/93/41/636269341.db2.gz CKSIZCLUUGPIII-UPJWGTAASA-N 0 3 306.406 2.194 20 10 DECDHN C[N@H+](CCCCNC(=O)NCc1c([O-])cccc1F)C1CC1 ZINC000922807430 636421018 /nfs/dbraw/zinc/42/10/18/636421018.db2.gz BGSKSNBXOAOTCP-UHFFFAOYSA-N 0 3 309.385 2.205 20 10 DECDHN C[N@@H+](CCCCNC(=O)NCc1c([O-])cccc1F)C1CC1 ZINC000922807430 636421023 /nfs/dbraw/zinc/42/10/23/636421023.db2.gz BGSKSNBXOAOTCP-UHFFFAOYSA-N 0 3 309.385 2.205 20 10 DECDHN COC(=O)c1c(CN[C@@H](C)C[C@H](C)O)c2cc(F)ccc2n1C ZINC000894437136 637038467 /nfs/dbraw/zinc/03/84/67/637038467.db2.gz NIEKAGBNDULJLL-QWRGUYRKSA-N 0 3 322.380 2.353 20 10 DECDHN C[C@@H]1CC[C@@H](C)N(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000839499779 637897604 /nfs/dbraw/zinc/89/76/04/637897604.db2.gz TXXACQNOCGOMIQ-HUUCEWRRSA-N 0 3 303.450 2.489 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H]2C=CCC2)N(C)C)cc1 ZINC000895719443 638164725 /nfs/dbraw/zinc/16/47/25/638164725.db2.gz RXRSGVLGQAETRO-RDJZCZTQSA-N 0 3 316.449 2.373 20 10 DECDHN COC(=O)[C@@H]1CC[C@H](NCc2cc(F)c(N(C)C)cc2F)C1 ZINC000896126769 638368785 /nfs/dbraw/zinc/36/87/85/638368785.db2.gz UARIQZQPXYFAEC-PWSUYJOCSA-N 0 3 312.360 2.462 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCOCC3(CCOCC3)C2)c([O-])c1 ZINC000753594439 639318741 /nfs/dbraw/zinc/31/87/41/639318741.db2.gz CLJRHHZYRRMHSW-UHFFFAOYSA-N 0 3 321.417 2.420 20 10 DECDHN CCOc1ccc(C[N@H+]2CCOCC3(CCOCC3)C2)c([O-])c1 ZINC000753594439 639318747 /nfs/dbraw/zinc/31/87/47/639318747.db2.gz CLJRHHZYRRMHSW-UHFFFAOYSA-N 0 3 321.417 2.420 20 10 DECDHN CCN(C)c1ccc([C@@H](C)NCc2ccc(C(N)=O)nc2)cc1 ZINC000766532015 640892782 /nfs/dbraw/zinc/89/27/82/640892782.db2.gz UKQZXGWGJDALPX-CYBMUJFWSA-N 0 3 312.417 2.487 20 10 DECDHN CCCNC(=O)C1CC[NH+](Cc2c([O-])cccc2OC)CC1 ZINC000768234172 641061306 /nfs/dbraw/zinc/06/13/06/641061306.db2.gz VAUVBLOUWQJBFX-UHFFFAOYSA-N 0 3 306.406 2.139 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@]3(CCCOC3)C1)[C@H](O)CO2 ZINC000768464750 641084896 /nfs/dbraw/zinc/08/48/96/641084896.db2.gz UHRJSDZGHGAOFF-SJLPKXTDSA-N 0 3 319.401 2.211 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@]3(CCCOC3)C1)[C@H](O)CO2 ZINC000768464750 641084901 /nfs/dbraw/zinc/08/49/01/641084901.db2.gz UHRJSDZGHGAOFF-SJLPKXTDSA-N 0 3 319.401 2.211 20 10 DECDHN COC(=O)C[C@@]1([NH2+]Cc2cc(Cl)cc(C)c2[O-])CCOC1 ZINC000768538399 641094459 /nfs/dbraw/zinc/09/44/59/641094459.db2.gz ZWPDHDYJPFDTLO-HNNXBMFYSA-N 0 3 313.781 2.166 20 10 DECDHN CCOC(=O)N1CC[C@H]([NH2+]Cc2ccc(OCC)cc2[O-])C1 ZINC000769935723 641311282 /nfs/dbraw/zinc/31/12/82/641311282.db2.gz PZBKSLQCIHIUFK-ZDUSSCGKSA-N 0 3 308.378 2.111 20 10 DECDHN C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccnn2C)c2c1c(F)ccc2[O-] ZINC000927137262 641708589 /nfs/dbraw/zinc/70/85/89/641708589.db2.gz VELPFTBTXTYOKN-PUYPPJJSSA-N 0 3 305.353 2.136 20 10 DECDHN CC[C@@H](CO)N1CCN(Cc2ccc(N(C)CC)cc2)CC1 ZINC000773754101 641820184 /nfs/dbraw/zinc/82/01/84/641820184.db2.gz OQLYEJYZEYMJSA-KRWDZBQOSA-N 0 3 305.466 2.031 20 10 DECDHN CC(C)[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCN1 ZINC000899019984 641901690 /nfs/dbraw/zinc/90/16/90/641901690.db2.gz ATZYOFQNJRDSMC-NSHDSACASA-N 0 3 320.414 2.383 20 10 DECDHN CC(C)NC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774482583 641908459 /nfs/dbraw/zinc/90/84/59/641908459.db2.gz LWFYRSREPNRODO-QWHCGFSZSA-N 0 3 320.437 2.026 20 10 DECDHN COCC[C@]1([NH2+]Cc2cc(Cl)cc(OC)c2[O-])CCOC1 ZINC000775203690 642015800 /nfs/dbraw/zinc/01/58/00/642015800.db2.gz NCXJZBQZTHJZCC-HNNXBMFYSA-N 0 3 315.797 2.339 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](OCC3CC3)C1)[C@@H](O)CO2 ZINC000777554802 642280493 /nfs/dbraw/zinc/28/04/93/642280493.db2.gz JBSGIIOYDISLBF-YOEHRIQHSA-N 0 3 319.401 2.209 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](OCC3CC3)C1)[C@@H](O)CO2 ZINC000777554802 642280495 /nfs/dbraw/zinc/28/04/95/642280495.db2.gz JBSGIIOYDISLBF-YOEHRIQHSA-N 0 3 319.401 2.209 20 10 DECDHN [O-]c1cccc2c1[C@@H]([NH2+]CC1(O)CCC3(CC1)OCCO3)CC2 ZINC000903372786 643330843 /nfs/dbraw/zinc/33/08/43/643330843.db2.gz NVOWQEFKJLOUPL-AWEZNQCLSA-N 0 3 319.401 2.017 20 10 DECDHN C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccn(C)n1 ZINC000903447764 643354844 /nfs/dbraw/zinc/35/48/44/643354844.db2.gz CEPGSHBEVLMOSE-KSSFIOAISA-N 0 3 315.465 2.440 20 10 DECDHN CN(C)c1ccc([C@@H](CN[C@H]2CCn3ccnc32)N(C)C)cc1 ZINC000903449146 643355880 /nfs/dbraw/zinc/35/58/80/643355880.db2.gz VSJAYPNXHOZCNR-DLBZAZTESA-N 0 3 313.449 2.286 20 10 DECDHN C[C@@H]1C[C@H]([NH2+]CCCc2ncn(C)n2)c2c1c(F)ccc2[O-] ZINC000842899977 650847838 /nfs/dbraw/zinc/84/78/38/650847838.db2.gz CVIROGVPNHHPML-PWSUYJOCSA-N 0 3 304.369 2.431 20 10 DECDHN [O-]c1cc2c(cc1C[NH+]1CCC3(CCOCC3)CC1)[C@H](O)CO2 ZINC000789529943 643744251 /nfs/dbraw/zinc/74/42/51/643744251.db2.gz MVFJHBFSUBKTDZ-MRXNPFEDSA-N 0 3 319.401 2.211 20 10 DECDHN COc1cccc([O-])c1C[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C ZINC000793215713 644209845 /nfs/dbraw/zinc/20/98/45/644209845.db2.gz MNSGRFWPKUSFIO-LLVKDONJSA-N 0 3 310.394 2.404 20 10 DECDHN C[C@]12CC[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C[C@H]1C2(F)F ZINC000793524278 644267283 /nfs/dbraw/zinc/26/72/83/644267283.db2.gz HBHCPDARFFJBGN-CFVMTHIKSA-N 0 3 311.328 2.295 20 10 DECDHN C[C@]12CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C[C@H]1C2(F)F ZINC000793524278 644267285 /nfs/dbraw/zinc/26/72/85/644267285.db2.gz HBHCPDARFFJBGN-CFVMTHIKSA-N 0 3 311.328 2.295 20 10 DECDHN CC[C@H]([NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1)c1ccc(C)cc1[O-] ZINC000794817977 644480404 /nfs/dbraw/zinc/48/04/04/644480404.db2.gz RWPRAMVJGLBBJW-JLJPHGGASA-N 0 3 320.433 2.377 20 10 DECDHN CCCCN(CC(=O)NC1CCOCC1)Cc1ccccc1O ZINC000801596889 645421240 /nfs/dbraw/zinc/42/12/40/645421240.db2.gz SOBLQOKUPHRBMK-UHFFFAOYSA-N 0 3 320.433 2.290 20 10 DECDHN COCC[N@H+](CCN(C)C)Cc1cc(Cl)cc(F)c1[O-] ZINC000809740550 646271790 /nfs/dbraw/zinc/27/17/90/646271790.db2.gz CWUCJMBWHUJMAS-UHFFFAOYSA-N 0 3 304.793 2.195 20 10 DECDHN COCC[N@@H+](CCN(C)C)Cc1cc(Cl)cc(F)c1[O-] ZINC000809740550 646271796 /nfs/dbraw/zinc/27/17/96/646271796.db2.gz CWUCJMBWHUJMAS-UHFFFAOYSA-N 0 3 304.793 2.195 20 10 DECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCn2cc(CO)nn2)c1[O-] ZINC000810244049 646342998 /nfs/dbraw/zinc/34/29/98/646342998.db2.gz NSMLMCOFKBJSNL-NSHDSACASA-N 0 3 324.812 2.179 20 10 DECDHN CCOC(=O)N[C@@H]1CCCN(Cc2cc(C)cc(OC)c2O)C1 ZINC000164110285 646416745 /nfs/dbraw/zinc/41/67/45/646416745.db2.gz HVRDBQIFPGTAAU-CQSZACIVSA-N 0 3 322.405 2.420 20 10 DECDHN CC[N@@H+]1CC[C@H]2OCCN(Cc3cc(Cl)ccc3[O-])[C@H]2C1 ZINC000816639150 647162129 /nfs/dbraw/zinc/16/21/29/647162129.db2.gz JMYMIDVDBXXDKF-GOEBONIOSA-N 0 3 310.825 2.341 20 10 DECDHN CC[N@H+]1CC[C@H]2OCCN(Cc3cc(Cl)ccc3[O-])[C@H]2C1 ZINC000816639150 647162131 /nfs/dbraw/zinc/16/21/31/647162131.db2.gz JMYMIDVDBXXDKF-GOEBONIOSA-N 0 3 310.825 2.341 20 10 DECDHN C[C@H](CNC(=O)NCc1c([O-])cccc1F)C[NH+]1CCCCC1 ZINC000914277507 647244417 /nfs/dbraw/zinc/24/44/17/647244417.db2.gz HLPGDOHCXQHELT-CYBMUJFWSA-N 0 3 323.412 2.453 20 10 DECDHN COc1cc(CN2CC[C@H](NC(C)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000817364962 647277469 /nfs/dbraw/zinc/27/74/69/647277469.db2.gz IIEMKNYVRADZDG-AWEZNQCLSA-N 0 3 320.433 2.409 20 10 DECDHN O[C@@H](CNCc1ccc(N2CCSCC2)cc1)C(F)(F)F ZINC000818964118 647550544 /nfs/dbraw/zinc/55/05/44/647550544.db2.gz LHCOCMWVDHZQKG-ZDUSSCGKSA-N 0 3 320.380 2.253 20 10 DECDHN C[C@@](O)(CNCc1ccc(N2CC=CC2)cc1)C(F)(F)F ZINC000819095863 647581993 /nfs/dbraw/zinc/58/19/93/647581993.db2.gz VMOLAVRCASKAKK-CQSZACIVSA-N 0 3 300.324 2.466 20 10 DECDHN CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC000916874023 647936410 /nfs/dbraw/zinc/93/64/10/647936410.db2.gz MQCUOGWKXVLGJQ-CYBMUJFWSA-N 0 3 323.412 2.451 20 10 DECDHN CC(C)[N@H+]1CCC[C@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC000916874023 647936413 /nfs/dbraw/zinc/93/64/13/647936413.db2.gz MQCUOGWKXVLGJQ-CYBMUJFWSA-N 0 3 323.412 2.451 20 10 DECDHN FCC1(NCc2ccc(N3CCOCC3)cc2)CCOCC1 ZINC000824690408 648636481 /nfs/dbraw/zinc/63/64/81/648636481.db2.gz DSDFFYWUJDPKSY-UHFFFAOYSA-N 0 3 308.397 2.132 20 10 DECDHN CC[C@H]([NH2+]Cc1cc(Br)cc(OC)c1[O-])[C@@H](C)O ZINC000824921778 648672783 /nfs/dbraw/zinc/67/27/83/648672783.db2.gz QWIINHIWYZFQAG-KCJUWKMLSA-N 0 3 318.211 2.412 20 10 DECDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2nccs2)c1 ZINC000182329211 648875336 /nfs/dbraw/zinc/87/53/36/648875336.db2.gz AWQQKMQDTDJHBO-VIFPVBQESA-N 0 3 307.375 2.147 20 10 DECDHN COc1ccc(O)c([C@H](C)NCC(=O)N(C)c2nccs2)c1 ZINC000182434643 648906345 /nfs/dbraw/zinc/90/63/45/648906345.db2.gz MTAXAVVIKIZXPG-JTQLQIEISA-N 0 3 321.402 2.171 20 10 DECDHN C[C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@H](C)C1O ZINC000827151834 648982425 /nfs/dbraw/zinc/98/24/25/648982425.db2.gz KPWFFCRAVPMXPW-KBPBESRZSA-N 0 3 322.424 2.111 20 10 DECDHN COc1ccc(O)c([C@H](C)NC(=O)c2ccc3c(c2)CNC3)c1 ZINC000828667854 649207959 /nfs/dbraw/zinc/20/79/59/649207959.db2.gz VDHNHUSWQOKNAU-NSHDSACASA-N 0 3 312.369 2.495 20 10 DECDHN COc1ccc(N2CC[C@@H](CNC(=O)[C@H](N)CC(C)C)C2)cc1 ZINC000831753634 649638555 /nfs/dbraw/zinc/63/85/55/649638555.db2.gz ONOSIBWQOQXRAB-WMLDXEAASA-N 0 3 319.449 2.011 20 10 DECDHN CC(C)O[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000844719431 651160149 /nfs/dbraw/zinc/16/01/49/651160149.db2.gz ZATCHWWJTASEDI-BBRMVZONSA-N 0 3 307.390 2.207 20 10 DECDHN CC(C)O[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000844719431 651160151 /nfs/dbraw/zinc/16/01/51/651160151.db2.gz ZATCHWWJTASEDI-BBRMVZONSA-N 0 3 307.390 2.207 20 10 DECDHN COc1cccc([C@H](C)N[C@@H]2CCN(C(C)(C)C)C2=O)c1O ZINC000846172366 651312902 /nfs/dbraw/zinc/31/29/02/651312902.db2.gz LPRIDGXNZIHPAW-WCQYABFASA-N 0 3 306.406 2.451 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](OC3CCC3)C1)[C@H](O)CO2 ZINC000848498404 651463924 /nfs/dbraw/zinc/46/39/24/651463924.db2.gz SCBLLJWPKFGMST-WMLDXEAASA-N 0 3 319.401 2.352 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](OC3CCC3)C1)[C@H](O)CO2 ZINC000848498404 651463927 /nfs/dbraw/zinc/46/39/27/651463927.db2.gz SCBLLJWPKFGMST-WMLDXEAASA-N 0 3 319.401 2.352 20 10 DECDHN Cc1cc(C(=O)N2CCN3CC[C@H]2C3)c(C)n1-c1ccccn1 ZINC000854727162 651544464 /nfs/dbraw/zinc/54/44/64/651544464.db2.gz BSYLLXOKTMXVQT-HNNXBMFYSA-N 0 3 310.401 2.019 20 10 DECDHN COc1cc(O)c(CN[C@H]2c3ccccc3C[C@@H]2O)cc1OC ZINC000848926282 651564708 /nfs/dbraw/zinc/56/47/08/651564708.db2.gz NYUUYHLRJWNZKO-YJBOKZPZSA-N 0 3 315.369 2.157 20 10 DECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000848930617 651565600 /nfs/dbraw/zinc/56/56/00/651565600.db2.gz UCGGAUKAKPJJLV-OAHLLOKOSA-N 0 3 320.433 2.088 20 10 DECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000848930617 651565605 /nfs/dbraw/zinc/56/56/05/651565605.db2.gz UCGGAUKAKPJJLV-OAHLLOKOSA-N 0 3 320.433 2.088 20 10 DECDHN OC1CCN(c2ccc(CNCc3ccc(F)nc3)cc2)CC1 ZINC000850406401 651922719 /nfs/dbraw/zinc/92/27/19/651922719.db2.gz FTCVLJGJYUOOBS-UHFFFAOYSA-N 0 3 315.392 2.472 20 10 DECDHN COc1cc(Br)cc([C@H](C)[NH2+]C/C=C/CO)c1[O-] ZINC000850508445 651941726 /nfs/dbraw/zinc/94/17/26/651941726.db2.gz MQYGMEVCRVUROR-NWALNABHSA-N 0 3 316.195 2.362 20 10 DECDHN C[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccccc1[O-] ZINC000850520565 651945131 /nfs/dbraw/zinc/94/51/31/651945131.db2.gz VSRBBWNXUGXERZ-VIFPVBQESA-N 0 3 311.325 2.020 20 10 DECDHN COc1ccc(N(C)CCN(C)C[C@@H](O)c2ccccn2)cc1 ZINC000852210891 652364330 /nfs/dbraw/zinc/36/43/30/652364330.db2.gz BVUQUALTDLWQTK-GOSISDBHSA-N 0 3 315.417 2.192 20 10 DECDHN Cc1cc(CN2CC[C@H](N(C)C(=O)N(C)C)C2)ccc1N(C)C ZINC000852653573 652433453 /nfs/dbraw/zinc/43/34/53/652433453.db2.gz WQUXWTBNVQEXNN-INIZCTEOSA-N 0 3 318.465 2.249 20 10 DECDHN COc1cc(Br)cc(C[N@H+](C)CC(C)(C)O)c1[O-] ZINC000093414431 684049576 /nfs/dbraw/zinc/04/95/76/684049576.db2.gz INOFLBFRCMXSDZ-UHFFFAOYSA-N 0 3 318.211 2.366 20 10 DECDHN COc1cc(Br)cc(C[N@@H+](C)CC(C)(C)O)c1[O-] ZINC000093414431 684049578 /nfs/dbraw/zinc/04/95/78/684049578.db2.gz INOFLBFRCMXSDZ-UHFFFAOYSA-N 0 3 318.211 2.366 20 10 DECDHN COc1cccc([C@@H](C)N[C@@H]2CCN(C3CCC3)C2=O)c1O ZINC000858603251 685567254 /nfs/dbraw/zinc/56/72/54/685567254.db2.gz VGZLKCDSLLWAHG-BXUZGUMPSA-N 0 3 304.390 2.205 20 10 DECDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)CCSC ZINC000040467361 683888968 /nfs/dbraw/zinc/88/89/68/683888968.db2.gz MGTDVNDCJYLBAQ-HNNXBMFYSA-N 0 3 309.479 2.182 20 10 DECDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC(C)(C)C2)cc1 ZINC000076012930 683939283 /nfs/dbraw/zinc/93/92/83/683939283.db2.gz JATPYPBGZZMZQK-UHFFFAOYSA-N 0 3 303.450 2.443 20 10 DECDHN CCOC(=O)c1cccc(CNCc2ccc(OC)cc2O)n1 ZINC000862353325 686280752 /nfs/dbraw/zinc/28/07/52/686280752.db2.gz KVILFGVTVAOEMB-UHFFFAOYSA-N 0 3 316.357 2.262 20 10 DECDHN C[C@](CO)(NCc1ccccc1O)c1cccc([N+](=O)[O-])c1 ZINC000865705325 687308110 /nfs/dbraw/zinc/30/81/10/687308110.db2.gz NVJXKILBXKFUJI-MRXNPFEDSA-N 0 3 302.330 2.298 20 10 DECDHN Cc1cc(CNCc2ccc(N3CCN(C)CC3)cc2)on1 ZINC000865773645 687330554 /nfs/dbraw/zinc/33/05/54/687330554.db2.gz FPMBRZAPHYQOLJ-UHFFFAOYSA-N 0 3 300.406 2.025 20 10 DECDHN C[C@@H](NC(=O)Nc1cnc2c(c1)CNCC2)c1ccccc1O ZINC000868167509 687932704 /nfs/dbraw/zinc/93/27/04/687932704.db2.gz OGYLCHKYBXUBNU-LLVKDONJSA-N 0 3 312.373 2.316 20 10 DECDHN CC(C)(C)N1CC[C@](F)(C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871205751 688749527 /nfs/dbraw/zinc/74/95/27/688749527.db2.gz XQOCTJDQMUSEAG-QGZVFWFLSA-N 0 3 306.381 2.447 20 10 DECDHN CC1CCN(CCNC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000875071467 689566489 /nfs/dbraw/zinc/56/64/89/689566489.db2.gz JOJKJRNOCJVSKB-UHFFFAOYSA-N 0 3 303.406 2.149 20 10 DECDHN CCOC(=O)c1ccc(CNCc2ccc3c(c2)CCO3)[nH]1 ZINC000876996227 689993331 /nfs/dbraw/zinc/99/33/31/689993331.db2.gz PWXYUWXGPUKPSQ-UHFFFAOYSA-N 0 3 300.358 2.416 20 10 DECDHN COC(=O)c1[nH]c(CNCc2cc(OC)ccc2O)cc1C ZINC000877036001 690004247 /nfs/dbraw/zinc/00/42/47/690004247.db2.gz LWILMYVAGKLHFG-UHFFFAOYSA-N 0 3 304.346 2.114 20 10 DECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000877069572 690012202 /nfs/dbraw/zinc/01/22/02/690012202.db2.gz LWFRHPQQDBPPLO-CQSZACIVSA-N 0 3 300.406 2.193 20 10 DECDHN Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)c([O-])c1 ZINC000877110863 690020614 /nfs/dbraw/zinc/02/06/14/690020614.db2.gz FEJVTWJBPJZIRU-IRXDYDNUSA-N 0 3 304.434 2.434 20 10 DECDHN COCCc1ncc(C[NH2+]Cc2ccc(OC)cc2[O-])s1 ZINC000877493898 690130602 /nfs/dbraw/zinc/13/06/02/690130602.db2.gz QMNWXYJFOWFCTO-UHFFFAOYSA-N 0 3 308.403 2.336 20 10 DECDHN Cc1ccc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)c([O-])c1 ZINC000877557925 690151109 /nfs/dbraw/zinc/15/11/09/690151109.db2.gz ZAUOPSBCCIJSEU-UHFFFAOYSA-N 0 3 311.447 2.394 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@H](C)[C@H](O)C(F)(F)F)c1[O-] ZINC000877693871 690193952 /nfs/dbraw/zinc/19/39/52/690193952.db2.gz SWXBGKMJDMMAKT-KBUNVGBDSA-N 0 3 313.703 2.456 20 10 DECDHN COc1cc(Cl)cc(CN[C@H](C)[C@H](O)C(F)(F)F)c1O ZINC000877693871 690193955 /nfs/dbraw/zinc/19/39/55/690193955.db2.gz SWXBGKMJDMMAKT-KBUNVGBDSA-N 0 3 313.703 2.456 20 10 DECDHN CCOC(=O)[C@]1(C[NH2+]Cc2c(C)cccc2[O-])CCCOC1 ZINC000877699009 690195580 /nfs/dbraw/zinc/19/55/80/690195580.db2.gz UQRXIXHIQYBDSI-KRWDZBQOSA-N 0 3 307.390 2.150 20 10 DECDHN COC[C@@H](C)CN1CCN(c2ccc(OC)cc2OC)CC1 ZINC000877708874 690199466 /nfs/dbraw/zinc/19/94/66/690199466.db2.gz YJHDTBBLOHSMES-AWEZNQCLSA-N 0 3 308.422 2.108 20 10 DECDHN FCCCN1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000931292488 694358772 /nfs/dbraw/zinc/35/87/72/694358772.db2.gz BLFVSHWYPDCFBI-UHFFFAOYSA-N 0 3 321.440 2.000 20 10 DECDHN [O-]c1ccccc1C[N@H+](CCc1cnccn1)C[C@H]1CCCO1 ZINC000878240429 690355647 /nfs/dbraw/zinc/35/56/47/690355647.db2.gz HKZHAESSKVGKKU-QGZVFWFLSA-N 0 3 313.401 2.406 20 10 DECDHN [O-]c1ccccc1C[N@@H+](CCc1cnccn1)C[C@H]1CCCO1 ZINC000878240429 690355649 /nfs/dbraw/zinc/35/56/49/690355649.db2.gz HKZHAESSKVGKKU-QGZVFWFLSA-N 0 3 313.401 2.406 20 10 DECDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)NC(=O)NC(C)(C)C ZINC000879648503 690699296 /nfs/dbraw/zinc/69/92/96/690699296.db2.gz RJSXGOQLYIHWBY-GHMZBOCLSA-N 0 3 307.394 2.056 20 10 DECDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H](CF)C2)cc1 ZINC000880291783 690860526 /nfs/dbraw/zinc/86/05/26/690860526.db2.gz IYFCRELWTRTMSU-OAHLLOKOSA-N 0 3 307.413 2.002 20 10 DECDHN CN(C)c1ccc(CN2CCN(CCCCCO)CC2)cc1 ZINC000931495767 694413046 /nfs/dbraw/zinc/41/30/46/694413046.db2.gz OAXTWQDTAFUFIS-UHFFFAOYSA-N 0 3 305.466 2.033 20 10 DECDHN Cc1n[nH]c(CNCc2ccc(N3CCC(O)CC3)cc2)c1C ZINC000886164559 692016246 /nfs/dbraw/zinc/01/62/46/692016246.db2.gz NPGUKBNKZPSVKL-UHFFFAOYSA-N 0 3 314.433 2.277 20 10 DECDHN Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)c([O-])c1 ZINC000927042047 693545288 /nfs/dbraw/zinc/54/52/88/693545288.db2.gz UNFWBEDUDLISSK-RLAWYHOSSA-N 0 3 309.431 2.459 20 10 DECDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3nnn(C)c3C2)c2c1c(F)ccc2[O-] ZINC000927148367 693560802 /nfs/dbraw/zinc/56/08/02/693560802.db2.gz WRALAUKPOCTOIM-BREBYQMCSA-N 0 3 316.380 2.355 20 10 DECDHN C[N@H+](Cc1cccc(NS(C)(=O)=O)c1)Cc1ccccc1[O-] ZINC000768872082 785845563 /nfs/dbraw/zinc/84/55/63/785845563.db2.gz BRLZAUNBHLVABL-UHFFFAOYSA-N 0 3 320.414 2.396 20 10 DECDHN C[N@@H+](Cc1cccc(NS(C)(=O)=O)c1)Cc1ccccc1[O-] ZINC000768872082 785845577 /nfs/dbraw/zinc/84/55/77/785845577.db2.gz BRLZAUNBHLVABL-UHFFFAOYSA-N 0 3 320.414 2.396 20 10 DECDHN COc1cc(C)c(C[NH+]2CCC(CNC(C)=O)CC2)c([O-])c1 ZINC001180039160 795228937 /nfs/dbraw/zinc/22/89/37/795228937.db2.gz NCBRSWDGWDYDRE-UHFFFAOYSA-N 0 3 306.406 2.057 20 10 DECDHN COc1cc(C)cc(CN2CCC(F)(F)[C@@H](CO)C2)c1O ZINC001119448637 795302066 /nfs/dbraw/zinc/30/20/66/795302066.db2.gz LHNJFWPQARQLEB-GFCCVEGCSA-N 0 3 301.333 2.159 20 10 DECDHN COc1cc(CN2CCCC(=O)[C@@H](C)C2)cc(CN(C)C)c1O ZINC001139253352 796349547 /nfs/dbraw/zinc/34/95/47/796349547.db2.gz RWOPHTOXMIIMAD-ZDUSSCGKSA-N 0 3 320.433 2.263 20 10 DECDHN CCN1CC[C@@]2(CCC[N@H+](Cc3cc(F)ccc3[O-])C2)C1=O ZINC001140054634 796470704 /nfs/dbraw/zinc/47/07/04/796470704.db2.gz UQSUCPDRDWPQSH-QGZVFWFLSA-N 0 3 306.381 2.366 20 10 DECDHN CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)C1=O ZINC001140054634 796470706 /nfs/dbraw/zinc/47/07/06/796470706.db2.gz UQSUCPDRDWPQSH-QGZVFWFLSA-N 0 3 306.381 2.366 20 10 DECDHN O=C(NC1CC1)[C@H]1C[C@H]2C[N@@H+](Cc3cc(F)ccc3[O-])C[C@H]2C1 ZINC001140053714 796470847 /nfs/dbraw/zinc/47/08/47/796470847.db2.gz AMVSGBLREBNWGA-XYYAHUGASA-N 0 3 318.392 2.268 20 10 DECDHN O=C(NC1CC1)[C@H]1C[C@H]2C[N@H+](Cc3cc(F)ccc3[O-])C[C@H]2C1 ZINC001140053714 796470849 /nfs/dbraw/zinc/47/08/49/796470849.db2.gz AMVSGBLREBNWGA-XYYAHUGASA-N 0 3 318.392 2.268 20 10 DECDHN C[C@H]1CC[C@@H](CO)N1Cc1ccc(N2CCOCC2)cc1F ZINC001140660096 796550956 /nfs/dbraw/zinc/55/09/56/796550956.db2.gz FSPQZOUAYXSTRC-BBRMVZONSA-N 0 3 308.397 2.008 20 10 DECDHN CCN(CC)c1ccc(CN2CCN(CCOC)CC2)c(O)c1 ZINC001140853168 796584354 /nfs/dbraw/zinc/58/43/54/796584354.db2.gz ODXBULCQQFXDRB-UHFFFAOYSA-N 0 3 321.465 2.002 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CCC3(C2)CCOCC3)c(OC)c1 ZINC001141028384 796620010 /nfs/dbraw/zinc/62/00/10/796620010.db2.gz MRSNXLWFFJUXFN-UHFFFAOYSA-N 0 3 307.390 2.412 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CCC3(C2)CCOCC3)c(OC)c1 ZINC001141028384 796620012 /nfs/dbraw/zinc/62/00/12/796620012.db2.gz MRSNXLWFFJUXFN-UHFFFAOYSA-N 0 3 307.390 2.412 20 10 DECDHN Oc1ccc(O)c(CN2CC[C@@H](N3CCCCC3)[C@@H](F)C2)c1 ZINC001141162694 796642698 /nfs/dbraw/zinc/64/26/98/796642698.db2.gz ABAPHHSLQBHSGL-JKSUJKDBSA-N 0 3 308.397 2.496 20 10 DECDHN Cc1ccc(O[C@@H]2CCN(Cc3cc(O)ccc3O)C2)nc1 ZINC001141162949 796642816 /nfs/dbraw/zinc/64/28/16/796642816.db2.gz MAQYHORVKFVGMZ-OAHLLOKOSA-N 0 3 300.358 2.455 20 10 DECDHN O=C1CCCCN1C1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141160969 796643208 /nfs/dbraw/zinc/64/32/08/796643208.db2.gz LFKKYBSYYYYURQ-UHFFFAOYSA-N 0 3 304.390 2.075 20 10 DECDHN C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1=CCN(C)CC1 ZINC001154042256 797449234 /nfs/dbraw/zinc/44/92/34/797449234.db2.gz DVZVGELLIDIGIY-NSHDSACASA-N 0 3 315.377 2.229 20 10 DECDHN CC(C)[C@@H](C(=O)NCc1c(O)cccc1O)N1CCCCC1 ZINC001156881056 798099682 /nfs/dbraw/zinc/09/96/82/798099682.db2.gz NOCOYZWSABZXHD-INIZCTEOSA-N 0 3 306.406 2.225 20 10 DECDHN CCOC(=O)[C@@H]1CCN(Cc2ccc(N(C)C)cc2)CCC1=O ZINC001203932731 798468801 /nfs/dbraw/zinc/46/88/01/798468801.db2.gz BBQDJRMUDHGZJG-MRXNPFEDSA-N 0 3 318.417 2.097 20 10 DECDHN CCOC(=O)C1=C(O)CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC001203932731 798468805 /nfs/dbraw/zinc/46/88/05/798468805.db2.gz BBQDJRMUDHGZJG-MRXNPFEDSA-N 0 3 318.417 2.097 20 10 DECDHN CN(C)Cc1cccc(N(c2ccc(N)cc2)S(C)(=O)=O)c1 ZINC001201399291 798747532 /nfs/dbraw/zinc/74/75/32/798747532.db2.gz CRDRYYXNZQBFRS-UHFFFAOYSA-N 0 3 319.430 2.428 20 10 DECDHN CC(C)(C)c1cc([O-])c(CN2CC[C@@H]([NH3+])[C@H](O)C2)cc1Cl ZINC001205981970 799402050 /nfs/dbraw/zinc/40/20/50/799402050.db2.gz KFUIYAXMEUKCTJ-UKRRQHHQSA-N 0 3 312.841 2.237 20 10 DECDHN O=C1[C@H]2C[N@H+](Cc3ccccc3[O-])C[C@H]2CN1c1ccccc1 ZINC001203552130 800079935 /nfs/dbraw/zinc/07/99/35/800079935.db2.gz BRNADRKHLKFHJH-RDJZCZTQSA-N 0 3 308.381 2.487 20 10 DECDHN O=C1[C@H]2C[N@@H+](Cc3ccccc3[O-])C[C@H]2CN1c1ccccc1 ZINC001203552130 800079943 /nfs/dbraw/zinc/07/99/43/800079943.db2.gz BRNADRKHLKFHJH-RDJZCZTQSA-N 0 3 308.381 2.487 20 10 DECDHN COC(=O)[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CCCO1 ZINC001231589440 801690966 /nfs/dbraw/zinc/69/09/66/801690966.db2.gz JIDIPSVAEFHSAN-KRWDZBQOSA-N 0 3 315.369 2.309 20 10 DECDHN COC(=O)[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CCCO1 ZINC001231589440 801690972 /nfs/dbraw/zinc/69/09/72/801690972.db2.gz JIDIPSVAEFHSAN-KRWDZBQOSA-N 0 3 315.369 2.309 20 10 DECDHN COC(=O)c1c(CN(C)CC2COC2)c2ccccc2n1C ZINC001232405618 801872616 /nfs/dbraw/zinc/87/26/16/801872616.db2.gz NVBQWVGWEPELRM-UHFFFAOYSA-N 0 3 302.374 2.043 20 10 DECDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@@H]3C=CC[NH2+]C3)cccc21 ZINC001218330180 802169061 /nfs/dbraw/zinc/16/90/61/802169061.db2.gz CHMXYYGXEIYHLH-LLVKDONJSA-N 0 3 321.332 2.074 20 10 DECDHN C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCc3c([O-])cccc3F)C[N@@H+]2C1 ZINC001529018834 1070816588 /nfs/dbraw/zinc/81/65/88/1070816588.db2.gz VONSFDOPIUNCPQ-JHJVBQTASA-N 0 3 306.381 2.268 20 10 DECDHN C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCc3c([O-])cccc3F)C[N@H+]2C1 ZINC001529018834 1070816618 /nfs/dbraw/zinc/81/66/18/1070816618.db2.gz VONSFDOPIUNCPQ-JHJVBQTASA-N 0 3 306.381 2.268 20 10 DECDHN COc1cc(C)c(C[N@H+](C)C[C@@H]2CCN(C(C)=O)C2)c([O-])c1 ZINC001461926657 1058737657 /nfs/dbraw/zinc/73/76/57/1058737657.db2.gz MADVBWGHBNDYRJ-AWEZNQCLSA-N 0 3 306.406 2.009 20 10 DECDHN COc1cc(C)c(C[N@@H+](C)C[C@@H]2CCN(C(C)=O)C2)c([O-])c1 ZINC001461926657 1058737672 /nfs/dbraw/zinc/73/76/72/1058737672.db2.gz MADVBWGHBNDYRJ-AWEZNQCLSA-N 0 3 306.406 2.009 20 10 DECDHN COc1cc(C)c(C[NH2+]C[C@@H](CO)Cc2ccoc2)c([O-])c1 ZINC001474685796 1060917763 /nfs/dbraw/zinc/91/77/63/1060917763.db2.gz CBCSMXOLOCAZIS-AWEZNQCLSA-N 0 3 305.374 2.243 20 10 DECDHN [NH3+]CC[C@H](NCc1c([O-])cccc1Br)C(F)F ZINC001580284670 1067550989 /nfs/dbraw/zinc/55/09/89/1067550989.db2.gz NXXJTZCIILRASS-VIFPVBQESA-N 0 3 309.154 2.227 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CCC[C@H](CCNC(C)=O)C2)c([O-])c1 ZINC001658257128 1080203487 /nfs/dbraw/zinc/20/34/87/1080203487.db2.gz FKHTZWYAAFMAQE-OAHLLOKOSA-N 0 3 320.433 2.447 20 10 DECDHN COc1cc(C)c(C[N@H+]2CCC[C@H](CCNC(C)=O)C2)c([O-])c1 ZINC001658257128 1080203493 /nfs/dbraw/zinc/20/34/93/1080203493.db2.gz FKHTZWYAAFMAQE-OAHLLOKOSA-N 0 3 320.433 2.447 20 10 DECDHN COc1ccc(N2CCC(NCc3nn(C)cc3C)CC2)cc1 ZINC001661245853 1080463528 /nfs/dbraw/zinc/46/35/28/1080463528.db2.gz WUIBJHZCPNPABS-UHFFFAOYSA-N 0 3 314.433 2.496 20 10 DECDHN O=C([C@@H]1CC12CN(Cc1ccccc1O)C2)N1CCCC12CC2 ZINC001277445461 1083973850 /nfs/dbraw/zinc/97/38/50/1083973850.db2.gz GSPFATNMPDGBFG-HNNXBMFYSA-N 0 3 312.413 2.369 20 10 DECDHN CC(C)(C)c1cc([O-])c(CN2CC[NH2+]C[C@@H]2CO)cc1Cl ZINC001235440632 1084431351 /nfs/dbraw/zinc/43/13/51/1084431351.db2.gz CPMNRPFWNFWRSQ-GFCCVEGCSA-N 0 3 312.841 2.109 20 10 DECDHN C[N@H+](CCN1CCOCC1)Cc1ccc(C(C)(C)C)cc1[O-] ZINC001235676937 1084495813 /nfs/dbraw/zinc/49/58/13/1084495813.db2.gz XVTIUMMLTHLDKB-UHFFFAOYSA-N 0 3 306.450 2.454 20 10 DECDHN C[N@@H+](CCN1CCOCC1)Cc1ccc(C(C)(C)C)cc1[O-] ZINC001235676937 1084495815 /nfs/dbraw/zinc/49/58/15/1084495815.db2.gz XVTIUMMLTHLDKB-UHFFFAOYSA-N 0 3 306.450 2.454 20 10 DECDHN CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(O)cc1[O-] ZINC001272982444 1085778363 /nfs/dbraw/zinc/77/83/63/1085778363.db2.gz ISENVJUFXDSWIF-APHBMKBZSA-N 0 3 318.417 2.462 20 10 DECDHN CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(O)cc1[O-] ZINC001272982444 1085778368 /nfs/dbraw/zinc/77/83/68/1085778368.db2.gz ISENVJUFXDSWIF-APHBMKBZSA-N 0 3 318.417 2.462 20 10 DECDHN CN1CC[C@@]2(CCCN2Cc2ccc(N3CCCC3)cc2)C1=O ZINC001272987561 1085801259 /nfs/dbraw/zinc/80/12/59/1085801259.db2.gz DGRRYPBIGKYKJU-IBGZPJMESA-N 0 3 313.445 2.484 20 10 DECDHN Oc1cc(F)c(F)cc1CN1CC2(CN(Cc3ccc[nH]3)C2)C1 ZINC001275774234 1092102348 /nfs/dbraw/zinc/10/23/48/1092102348.db2.gz POPUEFDJPSKIAN-UHFFFAOYSA-N 0 3 319.355 2.316 20 10 DECDHN CCc1ccc(C[N@@H+]2CCCN(c3ncccn3)CC2)c([O-])c1 ZINC001236794409 1138430277 /nfs/dbraw/zinc/43/02/77/1138430277.db2.gz LVVQEGNKXFPTJX-UHFFFAOYSA-N 0 3 312.417 2.457 20 10 DECDHN CCc1ccc(C[N@H+]2CCCN(c3ncccn3)CC2)c([O-])c1 ZINC001236794409 1138430286 /nfs/dbraw/zinc/43/02/86/1138430286.db2.gz LVVQEGNKXFPTJX-UHFFFAOYSA-N 0 3 312.417 2.457 20 10 DECDHN Cc1cc(F)cc(CN2CCC(NC(=O)C3CC3)CC2)c1O ZINC001238060558 1138819225 /nfs/dbraw/zinc/81/92/25/1138819225.db2.gz BZKKXQHLUBPDGL-UHFFFAOYSA-N 0 3 306.381 2.330 20 10 DECDHN Cc1cc(F)cc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C)C2)c1[O-] ZINC001238066185 1138819722 /nfs/dbraw/zinc/81/97/22/1138819722.db2.gz JEGNZMTUZBRAIQ-SWLSCSKDSA-N 0 3 306.381 2.282 20 10 DECDHN Cc1cc(F)cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C)C2)c1[O-] ZINC001238066185 1138819723 /nfs/dbraw/zinc/81/97/23/1138819723.db2.gz JEGNZMTUZBRAIQ-SWLSCSKDSA-N 0 3 306.381 2.282 20 10 DECDHN COC(=O)N1CCCN(Cc2cc3c(cc2O)CCC3)CC1 ZINC001321335353 1141175259 /nfs/dbraw/zinc/17/52/59/1141175259.db2.gz VTJCLHLKVYUFFH-UHFFFAOYSA-N 0 3 304.390 2.155 20 10 DECDHN COc1cc(C)c(C[NH2+]CC2(C3(O)CCOCC3)CC2)c([O-])c1 ZINC001308947479 1147490723 /nfs/dbraw/zinc/49/07/23/1147490723.db2.gz KRTLPQPTQCJJEA-UHFFFAOYSA-N 0 3 321.417 2.121 20 10 DECDHN Cc1ccc(C[N@H+]2C[C@@]3(CO)CCCC[C@@]3(CO)C2)c([O-])c1 ZINC001308965328 1147490856 /nfs/dbraw/zinc/49/08/56/1147490856.db2.gz FLAQTIJBGLQXDM-HDICACEKSA-N 0 3 305.418 2.048 20 10 DECDHN Cc1ccc(C[N@@H+]2C[C@@]3(CO)CCCC[C@@]3(CO)C2)c([O-])c1 ZINC001308965328 1147490862 /nfs/dbraw/zinc/49/08/62/1147490862.db2.gz FLAQTIJBGLQXDM-HDICACEKSA-N 0 3 305.418 2.048 20 10 DECDHN Cc1cc(O)c(CN2CCN(C3CCOCC3)CC2)cc1C ZINC000083114872 185213232 /nfs/dbraw/zinc/21/32/32/185213232.db2.gz CTUYZWFDEWSBET-UHFFFAOYSA-N 0 3 304.434 2.306 20 10 DECDHN C[C@H](NCC1(CO)COC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090643200 185307880 /nfs/dbraw/zinc/30/78/80/185307880.db2.gz RPFLAGPLELLCCP-AWEZNQCLSA-N 0 3 322.424 2.476 20 10 DECDHN CN1CCN(C(=O)c2cccc3c2CCNC3)c2ccccc21 ZINC000322382720 539902150 /nfs/dbraw/zinc/90/21/50/539902150.db2.gz MBEXGQFDZUPLTJ-UHFFFAOYSA-N 0 3 307.397 2.429 20 10 DECDHN COc1ccc([O-])c(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)c1 ZINC000294686158 224166990 /nfs/dbraw/zinc/16/69/90/224166990.db2.gz BNWJIUFWWCCMOO-HNNXBMFYSA-N 0 3 305.349 2.233 20 10 DECDHN CC[C@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)N(CC)CC ZINC000273153557 130093083 /nfs/dbraw/zinc/09/30/83/130093083.db2.gz IJRVKZCLCQGZFQ-TZMCWYRMSA-N 0 3 308.422 2.265 20 10 DECDHN COC[C@H](CO)N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000280946053 130827708 /nfs/dbraw/zinc/82/77/08/130827708.db2.gz JFAZWZQNQMHKPB-ZFWWWQNUSA-N 0 3 310.413 2.474 20 10 DECDHN Cc1cc([O-])c(C[N@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)cc1C ZINC000284973548 131127028 /nfs/dbraw/zinc/12/70/28/131127028.db2.gz BGLOMUCCJWTZLW-WBVHZDCISA-N 0 3 304.434 2.304 20 10 DECDHN Cc1cc([O-])c(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)cc1C ZINC000284973548 131127030 /nfs/dbraw/zinc/12/70/30/131127030.db2.gz BGLOMUCCJWTZLW-WBVHZDCISA-N 0 3 304.434 2.304 20 10 DECDHN COc1ccc2c(c1)CCCCN2C[C@H](O)CN(C)C1CC1 ZINC000289395469 131382763 /nfs/dbraw/zinc/38/27/63/131382763.db2.gz RQPVKGSDQKXSDT-MRXNPFEDSA-N 0 3 304.434 2.293 20 10 DECDHN C[C@@H](NC[C@H]1CCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000020551028 134647842 /nfs/dbraw/zinc/64/78/42/134647842.db2.gz KDBVEZHTCSOXNT-UKRRQHHQSA-N 0 3 308.397 2.492 20 10 DECDHN CCN(CC)CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000117976086 401888362 /nfs/dbraw/zinc/88/83/62/401888362.db2.gz WNSVQWNDWHLPHI-MRXNPFEDSA-N 0 3 320.433 2.242 20 10 DECDHN COc1cc(Cl)cc(CN[C@@H](C)C(=O)N2CCCC2)c1O ZINC000228673696 402339186 /nfs/dbraw/zinc/33/91/86/402339186.db2.gz YRGYPWYENGTYGJ-JTQLQIEISA-N 0 3 312.797 2.155 20 10 DECDHN C[C@H]1CCC[N@H+](CCCCNC(=O)c2cccc(O)c2[O-])C1 ZINC000186943790 402472667 /nfs/dbraw/zinc/47/26/67/402472667.db2.gz CDKVBFLKBSBFFW-ZDUSSCGKSA-N 0 3 306.406 2.340 20 10 DECDHN C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cccc(O)c2[O-])C1 ZINC000186943790 402472668 /nfs/dbraw/zinc/47/26/68/402472668.db2.gz CDKVBFLKBSBFFW-ZDUSSCGKSA-N 0 3 306.406 2.340 20 10 DECDHN C[C@@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1ccccc1[O-] ZINC000278183055 402861856 /nfs/dbraw/zinc/86/18/56/402861856.db2.gz BPFBOIPOEQPBFY-KGLIPLIRSA-N 0 3 300.406 2.445 20 10 DECDHN C[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1cc2c(cc1[O-])CCCC2 ZINC000278847474 402877340 /nfs/dbraw/zinc/87/73/40/402877340.db2.gz QBXPZQBQGKZUNY-VEVIJQCQSA-N 0 3 305.418 2.462 20 10 DECDHN COc1ccc(O)c(CN2CCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000271736532 402883598 /nfs/dbraw/zinc/88/35/98/402883598.db2.gz OYNLHJCKIFPGJV-AAEUAGOBSA-N 0 3 305.296 2.288 20 10 DECDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])[C@H]1OC ZINC000274944665 403097762 /nfs/dbraw/zinc/09/77/62/403097762.db2.gz RCDDPXCZXNSAOU-UXIGCNINSA-N 0 3 315.797 2.336 20 10 DECDHN CO[C@@H](C)[C@@H](C)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000268820720 403117549 /nfs/dbraw/zinc/11/75/49/403117549.db2.gz HONWHTRMZHRDER-OLZOCXBDSA-N 0 3 310.413 2.300 20 10 DECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000282968912 403164141 /nfs/dbraw/zinc/16/41/41/403164141.db2.gz IJOLIASOYCXKAD-LRDDRELGSA-N 0 3 309.381 2.189 20 10 DECDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCS(=O)(=O)C1 ZINC000282444008 403154608 /nfs/dbraw/zinc/15/46/08/403154608.db2.gz LGRMWELXHWRKAL-AWEZNQCLSA-N 0 3 311.447 2.429 20 10 DECDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCS(=O)(=O)C1 ZINC000282444008 403154611 /nfs/dbraw/zinc/15/46/11/403154611.db2.gz LGRMWELXHWRKAL-AWEZNQCLSA-N 0 3 311.447 2.429 20 10 DECDHN COc1cc(O)c(CN2CCC3(CC2)OCCCO3)cc1OC ZINC000293533927 403497208 /nfs/dbraw/zinc/49/72/08/403497208.db2.gz CBRXBWWBRGQRGL-UHFFFAOYSA-N 0 3 323.389 2.138 20 10 DECDHN COc1cccc(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)c1[O-] ZINC000293564307 403506368 /nfs/dbraw/zinc/50/63/68/403506368.db2.gz GJWUJFHQKXYDDK-QGZVFWFLSA-N 0 3 321.417 2.058 20 10 DECDHN CCNC(=O)[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])C(C)C ZINC000293614047 403519739 /nfs/dbraw/zinc/51/97/39/403519739.db2.gz KGOCXFSHQGMOHZ-ZDUSSCGKSA-N 0 3 314.813 2.305 20 10 DECDHN CN(C)c1ccc(CNCc2ccc3c(c2)NC(=O)CO3)cc1 ZINC000294143282 403658203 /nfs/dbraw/zinc/65/82/03/403658203.db2.gz HNRIDJVZHBCRNH-UHFFFAOYSA-N 0 3 311.385 2.373 20 10 DECDHN CCOc1cccc(CN2CC[C@@H](OC(=O)N(C)C)C2)c1O ZINC000295148322 403774104 /nfs/dbraw/zinc/77/41/04/403774104.db2.gz QWGMLMYSYPEFLE-CYBMUJFWSA-N 0 3 308.378 2.063 20 10 DECDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H](CO)C[C@H](O)c1ccccc1)CC2 ZINC000296862084 404346641 /nfs/dbraw/zinc/34/66/41/404346641.db2.gz NPNRKHBEIBZPCC-BQFCYCMXSA-N 0 3 313.397 2.454 20 10 DECDHN COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296989620 404404518 /nfs/dbraw/zinc/40/45/18/404404518.db2.gz SHSGGGSFTUTOQS-CABCVRRESA-N 0 3 320.433 2.146 20 10 DECDHN COc1ccc([O-])c(C[NH2+][C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000227690199 225208722 /nfs/dbraw/zinc/20/87/22/225208722.db2.gz SPWJZRXKEWHSQA-LLVKDONJSA-N 0 3 310.394 2.404 20 10 DECDHN Cc1cc(O)c(CN2CCN(c3nccnc3C)CC2)cc1C ZINC000376754681 227173787 /nfs/dbraw/zinc/17/37/87/227173787.db2.gz SKSJZXARNQQCJJ-UHFFFAOYSA-N 0 3 312.417 2.430 20 10 DECDHN CC[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1ccccc1[O-] ZINC000363712708 332227408 /nfs/dbraw/zinc/22/74/08/332227408.db2.gz KHMFLUTXALOVLU-BBRMVZONSA-N 0 3 300.406 2.445 20 10 DECDHN COc1ccc(N2CCN(CCCn3ccnc3)CC2)cc1 ZINC000182664530 524422592 /nfs/dbraw/zinc/42/25/92/524422592.db2.gz AAURVCOMGXXZOF-UHFFFAOYSA-N 0 3 300.406 2.104 20 10 DECDHN C[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccc(F)c(F)c1[O-] ZINC000191216664 525496501 /nfs/dbraw/zinc/49/65/01/525496501.db2.gz HRJSESHVOSUKRJ-NEPJUHHUSA-N 0 3 314.376 2.168 20 10 DECDHN C[C@@]1(C(=O)NCc2ccc(N3CCCC3)cc2)CCCCN1 ZINC000180990340 525801704 /nfs/dbraw/zinc/80/17/04/525801704.db2.gz CZSXNKZWLVOMQM-SFHVURJKSA-N 0 3 301.434 2.435 20 10 DECDHN COc1cccc(C(=O)NCC[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000183462225 525819558 /nfs/dbraw/zinc/81/95/58/525819558.db2.gz CVMLCGWAYUPIBC-ZDUSSCGKSA-N 0 3 314.385 2.481 20 10 DECDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCS2(=O)=O)c1[O-] ZINC000776252528 625571322 /nfs/dbraw/zinc/57/13/22/625571322.db2.gz DLSZIFFIUFCICU-LBPRGKRZSA-N 0 3 303.811 2.021 20 10 DECDHN COc1cc(Br)cc(C[NH2+][C@@]2(C)CCOC2)c1[O-] ZINC000120128132 622598046 /nfs/dbraw/zinc/59/80/46/622598046.db2.gz ZPXYBHRZMCSIEN-ZDUSSCGKSA-N 0 3 316.195 2.432 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)c2ccsn2)N(C)C)cc1 ZINC000891247393 623791899 /nfs/dbraw/zinc/79/18/99/623791899.db2.gz JUFMBRBJZQGZOF-HNNXBMFYSA-N 0 3 318.446 2.242 20 10 DECDHN CCO[C@H](CC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251152 623797810 /nfs/dbraw/zinc/79/78/10/623797810.db2.gz AENUGBGCUTXDOJ-DLBZAZTESA-N 0 3 321.465 2.287 20 10 DECDHN CSC[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252908 623798213 /nfs/dbraw/zinc/79/82/13/623798213.db2.gz OMENPCIFLFILLW-CJNGLKHVSA-N 0 3 323.506 2.471 20 10 DECDHN CC(C)N(C)CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000063583513 624058352 /nfs/dbraw/zinc/05/83/52/624058352.db2.gz JYUAMNXGPRDDBH-OAHLLOKOSA-N 0 3 319.449 2.041 20 10 DECDHN CCn1cc(CNCc2ccc(N3CCOCC3)cc2)c(C)n1 ZINC000892668400 625256051 /nfs/dbraw/zinc/25/60/51/625256051.db2.gz KWZOHJBZUAQEFR-UHFFFAOYSA-N 0 3 314.433 2.338 20 10 DECDHN COc1ccc(CNCc2ccccc2CO)c(O)c1OC ZINC000892672319 625275283 /nfs/dbraw/zinc/27/52/83/625275283.db2.gz JXYFWACQIBVQOL-UHFFFAOYSA-N 0 3 303.358 2.192 20 10 DECDHN CCOc1ccc(C[NH2+]C2CCN(C(=O)C3CC3)CC2)c([O-])c1 ZINC000725844960 625942568 /nfs/dbraw/zinc/94/25/68/625942568.db2.gz DEYCLBJEYPMTBC-UHFFFAOYSA-N 0 3 318.417 2.282 20 10 DECDHN Cc1cc(N(C)C)ccc1CN1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000840941019 634963191 /nfs/dbraw/zinc/96/31/91/634963191.db2.gz NBYVDFCDONXPTQ-QAPCUYQASA-N 0 3 304.434 2.441 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)NC2CC=CC2)N(C)C)cc1 ZINC000893661172 635738730 /nfs/dbraw/zinc/73/87/30/635738730.db2.gz JCIZRSQJMYNDLY-KRWDZBQOSA-N 0 3 316.449 2.373 20 10 DECDHN C[C@@H](NCc1c2c(nn1C)CCOC2)c1ccc(N(C)C)cc1 ZINC000922016075 635809959 /nfs/dbraw/zinc/80/99/59/635809959.db2.gz XFCNSWRUYKGGCC-CYBMUJFWSA-N 0 3 314.433 2.410 20 10 DECDHN CCOc1cccc(C[N@H+](C[C@H]2CCC(=O)N2)C(C)C)c1[O-] ZINC000840978063 636012619 /nfs/dbraw/zinc/01/26/19/636012619.db2.gz ZRYLSRHXNAHGMO-CQSZACIVSA-N 0 3 306.406 2.280 20 10 DECDHN CCOc1cccc(C[N@@H+](C[C@H]2CCC(=O)N2)C(C)C)c1[O-] ZINC000840978063 636012621 /nfs/dbraw/zinc/01/26/21/636012621.db2.gz ZRYLSRHXNAHGMO-CQSZACIVSA-N 0 3 306.406 2.280 20 10 DECDHN O=C(NCc1c([O-])cccc1F)NC1CC([NH+]2CCCCC2)C1 ZINC000922292059 636067187 /nfs/dbraw/zinc/06/71/87/636067187.db2.gz RJIAMEVYPPFHKN-UHFFFAOYSA-N 0 3 321.396 2.347 20 10 DECDHN COc1cccc([O-])c1C[NH2+][C@@H](CO)CCc1ccccc1 ZINC000922545522 636233143 /nfs/dbraw/zinc/23/31/43/636233143.db2.gz QGZYJVMGDVQOCQ-OAHLLOKOSA-N 0 3 301.386 2.484 20 10 DECDHN CCc1[nH]c(C[NH2+]Cc2ccc(OC)cc2[O-])cc1C(=O)OC ZINC000894635020 637142147 /nfs/dbraw/zinc/14/21/47/637142147.db2.gz GRBYCYQWOFUNFC-UHFFFAOYSA-N 0 3 318.373 2.368 20 10 DECDHN Fc1cc(CNC2CSC2)cc(F)c1N1CCOCC1 ZINC000839146409 637789168 /nfs/dbraw/zinc/78/91/68/637789168.db2.gz GLFFWKYLKVMLBW-UHFFFAOYSA-N 0 3 300.374 2.006 20 10 DECDHN Cc1cc(N(C)C)ccc1CN1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000840941427 650391589 /nfs/dbraw/zinc/39/15/89/650391589.db2.gz WRWFGEUHMROWOM-YJBOKZPZSA-N 0 3 304.434 2.441 20 10 DECDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000840976386 650398670 /nfs/dbraw/zinc/39/86/70/650398670.db2.gz VOCDKUVKEPFFRW-MJGOQNOKSA-N 0 3 313.397 2.234 20 10 DECDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000840976386 650398671 /nfs/dbraw/zinc/39/86/71/650398671.db2.gz VOCDKUVKEPFFRW-MJGOQNOKSA-N 0 3 313.397 2.234 20 10 DECDHN COc1cc(C)cc(CN2CC[C@@](CO)(C(F)(F)F)C2)c1O ZINC000895837589 638218348 /nfs/dbraw/zinc/21/83/48/638218348.db2.gz NVTWZQSWDGGGBT-CQSZACIVSA-N 0 3 319.323 2.456 20 10 DECDHN C[C@]1([C@H]2CCC[N@H+](Cc3cc(F)ccc3[O-])C2)COC(=O)N1 ZINC000896394543 638500798 /nfs/dbraw/zinc/50/07/98/638500798.db2.gz FKTARYKJSGSKOJ-BLLLJJGKSA-N 0 3 308.353 2.242 20 10 DECDHN C[C@]1([C@H]2CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)COC(=O)N1 ZINC000896394543 638500802 /nfs/dbraw/zinc/50/08/02/638500802.db2.gz FKTARYKJSGSKOJ-BLLLJJGKSA-N 0 3 308.353 2.242 20 10 DECDHN CCO[C@H](CNCc1cc(Cl)c(F)cc1[O-])C[NH+](C)C ZINC000896879698 638753390 /nfs/dbraw/zinc/75/33/90/638753390.db2.gz FWPAPGJRKMSFPP-LLVKDONJSA-N 0 3 304.793 2.241 20 10 DECDHN COc1ccc(O)c([C@@H](C)NC(=S)NC2CCN(C)CC2)c1 ZINC000728792823 639387948 /nfs/dbraw/zinc/38/79/48/639387948.db2.gz OIRMFQMPXUHBGT-LLVKDONJSA-N 0 3 323.462 2.020 20 10 DECDHN C[C@@H]1C[C@@H](N[C@@H](CO)c2cnn(C)c2)c2c1c(F)ccc2O ZINC000756775005 639693914 /nfs/dbraw/zinc/69/39/14/639693914.db2.gz GHRCTEGWCSTKDT-WQAKAFBOSA-N 0 3 305.353 2.136 20 10 DECDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000925313807 640811029 /nfs/dbraw/zinc/81/10/29/640811029.db2.gz PNVPMXDJSIVUEZ-RHSMWYFYSA-N 0 3 318.465 2.377 20 10 DECDHN CC(C)OC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768448432 641083836 /nfs/dbraw/zinc/08/38/36/641083836.db2.gz CBQICRDFORTRAU-MRXNPFEDSA-N 0 3 307.390 2.207 20 10 DECDHN CC[N@H+](CCc1nccs1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768463707 641084743 /nfs/dbraw/zinc/08/47/43/641084743.db2.gz VTLGGEDVGPWLNH-CQSZACIVSA-N 0 3 320.414 2.339 20 10 DECDHN CC[N@@H+](CCc1nccs1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768463707 641084745 /nfs/dbraw/zinc/08/47/45/641084745.db2.gz VTLGGEDVGPWLNH-CQSZACIVSA-N 0 3 320.414 2.339 20 10 DECDHN CCN(C)c1ccc(CN[C@](C)(COC)CC(=O)OC)cc1 ZINC000773796363 641825225 /nfs/dbraw/zinc/82/52/25/641825225.db2.gz YIMJJFHKPLSLKL-KRWDZBQOSA-N 0 3 308.422 2.201 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)N(C)C2CC2)N(C)C)cc1 ZINC000899095717 641929722 /nfs/dbraw/zinc/92/97/22/641929722.db2.gz LEUPXONFRMBPAD-INIZCTEOSA-N 0 3 304.438 2.159 20 10 DECDHN CCCN1CCC([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000775051953 641999649 /nfs/dbraw/zinc/99/96/49/641999649.db2.gz RIVOJRUURCAZCH-UHFFFAOYSA-N 0 3 323.393 2.273 20 10 DECDHN CC[C@@H]1COCCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775656445 642074517 /nfs/dbraw/zinc/07/45/17/642074517.db2.gz URNKWIBVTAMVFL-QGZVFWFLSA-N 0 3 303.450 2.049 20 10 DECDHN C[N@H+](CCn1cc(Br)cn1)Cc1ccccc1[O-] ZINC000111236351 642096813 /nfs/dbraw/zinc/09/68/13/642096813.db2.gz MLUADLUTRDBNPL-UHFFFAOYSA-N 0 3 310.195 2.483 20 10 DECDHN C[N@@H+](CCn1cc(Br)cn1)Cc1ccccc1[O-] ZINC000111236351 642096820 /nfs/dbraw/zinc/09/68/20/642096820.db2.gz MLUADLUTRDBNPL-UHFFFAOYSA-N 0 3 310.195 2.483 20 10 DECDHN Cc1cc(NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)n(C)n1 ZINC000775835781 642103883 /nfs/dbraw/zinc/10/38/83/642103883.db2.gz JHQJRXAIXJTWSN-CYBMUJFWSA-N 0 3 315.421 2.084 20 10 DECDHN C[C@@H](NC(=O)N1CCCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000776239782 642148583 /nfs/dbraw/zinc/14/85/83/642148583.db2.gz VFNNPUQBBYVTMC-CQSZACIVSA-N 0 3 304.438 2.161 20 10 DECDHN Cc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c([O-])c1O ZINC000780887528 642684475 /nfs/dbraw/zinc/68/44/75/642684475.db2.gz QNNQQKDIABIZDI-OLZOCXBDSA-N 0 3 306.406 2.399 20 10 DECDHN Cc1ccc(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)c([O-])c1O ZINC000780887528 642684478 /nfs/dbraw/zinc/68/44/78/642684478.db2.gz QNNQQKDIABIZDI-OLZOCXBDSA-N 0 3 306.406 2.399 20 10 DECDHN C[C@@H](O)[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000780892579 642685817 /nfs/dbraw/zinc/68/58/17/642685817.db2.gz MBWHWBSUAMFPHE-ZBFHGGJFSA-N 0 3 322.424 2.255 20 10 DECDHN C[C@]12C[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000902614457 643085272 /nfs/dbraw/zinc/08/52/72/643085272.db2.gz HSACNEDFKUXTGA-YRGBBDCWSA-N 0 3 313.397 2.462 20 10 DECDHN C[C@]12C[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000902614457 643085273 /nfs/dbraw/zinc/08/52/73/643085273.db2.gz HSACNEDFKUXTGA-YRGBBDCWSA-N 0 3 313.397 2.462 20 10 DECDHN Cc1ccc(O)c(CNCc2ccc(S(C)(=O)=O)s2)c1 ZINC000786828472 643414647 /nfs/dbraw/zinc/41/46/47/643414647.db2.gz SCEMKVCRKHQQLQ-UHFFFAOYSA-N 0 3 311.428 2.455 20 10 DECDHN COc1cccc(O)c1CN1C[C@@H](C)OC2(CCOCC2)C1 ZINC000790930382 643909614 /nfs/dbraw/zinc/90/96/14/643909614.db2.gz LPBZKODIFZNDGL-CYBMUJFWSA-N 0 3 307.390 2.171 20 10 DECDHN COc1cc(C)cc(CN2C[C@@H](C)O[C@]3(CCCOC3)C2)c1O ZINC000794892482 644488306 /nfs/dbraw/zinc/48/83/06/644488306.db2.gz VHGSVGCYVFXDNN-RDTXWAMCSA-N 0 3 321.417 2.479 20 10 DECDHN CNC(=O)C[C@H](NCc1cc(OC)ccc1O)c1ccccc1 ZINC000796036123 644677387 /nfs/dbraw/zinc/67/73/87/644677387.db2.gz HFISYDSGFNRIIE-INIZCTEOSA-N 0 3 314.385 2.368 20 10 DECDHN CNC(=O)C[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000796037500 644677541 /nfs/dbraw/zinc/67/75/41/644677541.db2.gz XEXYHFQCIHCUAN-HNNXBMFYSA-N 0 3 302.349 2.498 20 10 DECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O)c1[O-] ZINC000808708717 645301785 /nfs/dbraw/zinc/30/17/85/645301785.db2.gz PDEQKDVBMWATOM-ZJUUUORDSA-N 0 3 305.827 2.438 20 10 DECDHN CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000806663088 645859045 /nfs/dbraw/zinc/85/90/45/645859045.db2.gz LZDIFDCLEGXNSJ-CABZTGNLSA-N 0 3 300.399 2.050 20 10 DECDHN CCOc1ccc(C[NH2+][C@@H]2COc3ccccc3[C@H]2O)c([O-])c1 ZINC000808454274 646088087 /nfs/dbraw/zinc/08/80/87/646088087.db2.gz OCRQYGSHNRSVBZ-CRAIPNDOSA-N 0 3 315.369 2.375 20 10 DECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)C(=O)NCCF)c1[O-] ZINC000808717625 646131317 /nfs/dbraw/zinc/13/13/17/646131317.db2.gz KCAZPDDSOUASQT-ZJUUUORDSA-N 0 3 302.777 2.479 20 10 DECDHN CCOc1ccc(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c([O-])c1 ZINC000809772166 646282668 /nfs/dbraw/zinc/28/26/68/646282668.db2.gz VXIBUIIYQXLXKU-HNNXBMFYSA-N 0 3 318.417 2.235 20 10 DECDHN CCOc1ccc(C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)c([O-])c1 ZINC000809772166 646282673 /nfs/dbraw/zinc/28/26/73/646282673.db2.gz VXIBUIIYQXLXKU-HNNXBMFYSA-N 0 3 318.417 2.235 20 10 DECDHN COc1cc(Cl)cc(CN[C@@H](C)C(=O)NC(C)C)c1O ZINC000229054067 646664097 /nfs/dbraw/zinc/66/40/97/646664097.db2.gz YKXZRRWTIXUFFR-VIFPVBQESA-N 0 3 300.786 2.057 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)C(=O)NC(C)C)c1[O-] ZINC000229054067 646664101 /nfs/dbraw/zinc/66/41/01/646664101.db2.gz YKXZRRWTIXUFFR-VIFPVBQESA-N 0 3 300.786 2.057 20 10 DECDHN COc1ccc(O)c(CNCc2ccc3c(c2)NC(=O)CO3)c1 ZINC000816550427 647150703 /nfs/dbraw/zinc/15/07/03/647150703.db2.gz QQXATPFQQOPXSF-UHFFFAOYSA-N 0 3 314.341 2.022 20 10 DECDHN COc1ccc(O)c(CN[C@H](CC(N)=O)c2ccccc2)c1 ZINC000816653486 647163452 /nfs/dbraw/zinc/16/34/52/647163452.db2.gz UUGIPJHQZHXEJK-OAHLLOKOSA-N 0 3 300.358 2.107 20 10 DECDHN C[C@H]1CCN(CC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000816938994 647201177 /nfs/dbraw/zinc/20/11/77/647201177.db2.gz PVIMVIMNYKMBNN-ZDUSSCGKSA-N 0 3 302.418 2.229 20 10 DECDHN COc1ccc(N2CC[C@@H](CNCc3ccn(C)n3)C2)cc1 ZINC000818222968 647436002 /nfs/dbraw/zinc/43/60/02/647436002.db2.gz ZJPLTLAYWGKQFI-AWEZNQCLSA-N 0 3 300.406 2.045 20 10 DECDHN C[C@H]1C[C@H]([NH2+]CCCCS(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000818348913 647457503 /nfs/dbraw/zinc/45/75/03/647457503.db2.gz BCBWATKSDCVXGK-JQWIXIFHSA-N 0 3 315.410 2.494 20 10 DECDHN COCC(C)(C)N1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000822497960 648219557 /nfs/dbraw/zinc/21/95/57/648219557.db2.gz PSZOSZAJRZLKQA-UHFFFAOYSA-N 0 3 305.466 2.295 20 10 DECDHN CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1c([O-])cccc1F ZINC000921437720 648317389 /nfs/dbraw/zinc/31/73/89/648317389.db2.gz FQSZIHJLKZFJMI-GFCCVEGCSA-N 0 3 309.385 2.205 20 10 DECDHN CN(C[C@H]1CCCN1C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000823753877 648479054 /nfs/dbraw/zinc/47/90/54/648479054.db2.gz ZNIBHIADKYMPRV-CYBMUJFWSA-N 0 3 303.366 2.015 20 10 DECDHN CCOc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c([O-])c1 ZINC000824655181 648630416 /nfs/dbraw/zinc/63/04/16/648630416.db2.gz UQICWWXTCICYJJ-BFYDXBDKSA-N 0 3 321.417 2.153 20 10 DECDHN CCOc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c([O-])c1 ZINC000824655181 648630420 /nfs/dbraw/zinc/63/04/20/648630420.db2.gz UQICWWXTCICYJJ-BFYDXBDKSA-N 0 3 321.417 2.153 20 10 DECDHN CN(C)c1ccc(CN2CC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000825124123 648707336 /nfs/dbraw/zinc/70/73/36/648707336.db2.gz IDDOQIPOUWWFNE-JSGCOSHPSA-N 0 3 302.340 2.498 20 10 DECDHN COc1ccc(O)c([C@@H](C)NCC(=O)NC(C2CC2)C2CC2)c1 ZINC000182329670 648875293 /nfs/dbraw/zinc/87/52/93/648875293.db2.gz XJSOCGUXLAYKMZ-LLVKDONJSA-N 0 3 318.417 2.356 20 10 DECDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2nccs2)c1 ZINC000182329228 648875320 /nfs/dbraw/zinc/87/53/20/648875320.db2.gz AWQQKMQDTDJHBO-SECBINFHSA-N 0 3 307.375 2.147 20 10 DECDHN COc1ccc(O)c([C@H](C)NCC(=O)N2CCC[C@H](C)C2)c1 ZINC000182426744 648902612 /nfs/dbraw/zinc/90/26/12/648902612.db2.gz NRCYJYCOMKUTLS-STQMWFEESA-N 0 3 306.406 2.310 20 10 DECDHN COc1ccc(O)c(CNCc2cnc(C(F)(F)F)nc2)c1 ZINC000826840166 648934117 /nfs/dbraw/zinc/93/41/17/648934117.db2.gz VSHQDQXCWRZZKV-UHFFFAOYSA-N 0 3 313.279 2.499 20 10 DECDHN COc1cc(CN2CCC(=O)N(C)CC2)c(O)c(C(C)(C)C)c1 ZINC000827358336 649021542 /nfs/dbraw/zinc/02/15/42/649021542.db2.gz BDEQWTDFQZONTB-UHFFFAOYSA-N 0 3 320.433 2.362 20 10 DECDHN [O-]c1cccnc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000827662031 649063384 /nfs/dbraw/zinc/06/33/84/649063384.db2.gz LOSOSXWLJJJVJY-UHFFFAOYSA-N 0 3 313.401 2.038 20 10 DECDHN CC(C)CN1CCO[C@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000834491721 649806987 /nfs/dbraw/zinc/80/69/87/649806987.db2.gz FKRWYNQQDCGKJV-HZPDHXFCSA-N 0 3 304.434 2.326 20 10 DECDHN CC(C)[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)N1CCOCC1 ZINC000834496955 649807345 /nfs/dbraw/zinc/80/73/45/649807345.db2.gz SXVMDSIPWWYMRF-HOTGVXAUSA-N 0 3 304.434 2.326 20 10 DECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@]1(CO)CCc2ccccc21 ZINC000846010029 651301402 /nfs/dbraw/zinc/30/14/02/651301402.db2.gz DEMGOGHETHVDDF-SFHVURJKSA-N 0 3 301.361 2.497 20 10 DECDHN O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cccc(O)c1[O-] ZINC000855809581 651784930 /nfs/dbraw/zinc/78/49/30/651784930.db2.gz HYPGUUORCFFQGX-LBPRGKRZSA-N 0 3 304.390 2.235 20 10 DECDHN O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1cccc(O)c1[O-] ZINC000855809581 651784935 /nfs/dbraw/zinc/78/49/35/651784935.db2.gz HYPGUUORCFFQGX-LBPRGKRZSA-N 0 3 304.390 2.235 20 10 DECDHN COc1ccc(N2CC[C@H](NCc3cccc(OC)n3)C2)cc1 ZINC000850347164 651904780 /nfs/dbraw/zinc/90/47/80/651904780.db2.gz OZUWVPATMHMVSU-HNNXBMFYSA-N 0 3 313.401 2.467 20 10 DECDHN O=[S@@](CCNCc1ccc2c(c1)CCO2)CC(F)(F)F ZINC000850348269 651905910 /nfs/dbraw/zinc/90/59/10/651905910.db2.gz IMGADHFUGKGFHG-FQEVSTJZSA-N 0 3 307.337 2.022 20 10 DECDHN COc1ccc(CNCC[S@](=O)CC(F)(F)F)cc1C ZINC000850350922 651907824 /nfs/dbraw/zinc/90/78/24/651907824.db2.gz VZFCLTLYPPOSTO-FQEVSTJZSA-N 0 3 309.353 2.404 20 10 DECDHN CC(=O)c1cc(F)cc(CN(C)[C@@H](C[NH3+])C(F)(F)F)c1[O-] ZINC000852762756 652452530 /nfs/dbraw/zinc/45/25/30/652452530.db2.gz VRFXRHDPCOWEEA-NSHDSACASA-N 0 3 308.275 2.055 20 10 DECDHN CN(Cc1ccccc1O)C(=O)c1cc2c(s1)CCNC2 ZINC000852790474 652457484 /nfs/dbraw/zinc/45/74/84/652457484.db2.gz RDEXKPOBIMABEM-UHFFFAOYSA-N 0 3 302.399 2.372 20 10 DECDHN Cc1cc(Br)c([O-])c(CNCC23CC(C2)C[NH2+]3)c1 ZINC000853246595 652529191 /nfs/dbraw/zinc/52/91/91/652529191.db2.gz NDLSCOUCPWOUDT-UHFFFAOYSA-N 0 3 311.223 2.305 20 10 DECDHN CCCN(CCC)c1ccc(CN2CCOC3(CNC3)C2)cc1 ZINC000853250423 652529519 /nfs/dbraw/zinc/52/95/19/652529519.db2.gz ZNIWQBGSERNYHE-UHFFFAOYSA-N 0 3 317.477 2.487 20 10 DECDHN Oc1cc2c(cc1CN1CCC(c3ccon3)CC1)OCO2 ZINC000853592789 652575789 /nfs/dbraw/zinc/57/57/89/652575789.db2.gz DUNHVQGAAOEPOJ-UHFFFAOYSA-N 0 3 302.330 2.489 20 10 DECDHN CC(C)CCO[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000853635461 652582532 /nfs/dbraw/zinc/58/25/32/652582532.db2.gz QDJRRKQLNYTZTL-PBHICJAKSA-N 0 3 321.417 2.455 20 10 DECDHN CC(C)CCO[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000853635461 652582535 /nfs/dbraw/zinc/58/25/35/652582535.db2.gz QDJRRKQLNYTZTL-PBHICJAKSA-N 0 3 321.417 2.455 20 10 DECDHN COC(=O)/C=C(\C)CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000929186228 693912845 /nfs/dbraw/zinc/91/28/45/693912845.db2.gz ZORVDJATRWKURE-NTCAYCPXSA-N 0 3 318.417 2.074 20 10 DECDHN CCN(C)c1ccc(CN[C@@H]2CCO[C@@H]2c2nc(C)no2)cc1 ZINC000860148537 685891683 /nfs/dbraw/zinc/89/16/83/685891683.db2.gz FZBVTUFHVNGQHC-CVEARBPZSA-N 0 3 316.405 2.454 20 10 DECDHN [O-]c1cc2c(cc1C[NH2+][C@H](C1CCC1)[C@H]1CCOC1)OCO2 ZINC000865762921 687326473 /nfs/dbraw/zinc/32/64/73/687326473.db2.gz YQQRFGNSFMDLFL-YVEFUNNKSA-N 0 3 305.374 2.416 20 10 DECDHN CC(C)(C)OC(=O)COCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000866437260 687572846 /nfs/dbraw/zinc/57/28/46/687572846.db2.gz DCSOFOYIJRXIKL-ZDUSSCGKSA-N 0 3 307.390 2.327 20 10 DECDHN CC(=O)c1cc(F)cc(CN2CCC[C@H]3C[NH2+]CC[C@@H]32)c1[O-] ZINC000866716494 687664073 /nfs/dbraw/zinc/66/40/73/687664073.db2.gz PFXJPXDJCRWBND-LRDDRELGSA-N 0 3 306.381 2.308 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H]3CSC[C@@H]3C1)[C@H](O)CO2 ZINC000872721482 689074231 /nfs/dbraw/zinc/07/42/31/689074231.db2.gz JDPJRALDKJUNJM-IFUGULHKSA-N 0 3 307.415 2.003 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H]3CSC[C@@H]3C1)[C@H](O)CO2 ZINC000872721482 689074233 /nfs/dbraw/zinc/07/42/33/689074233.db2.gz JDPJRALDKJUNJM-IFUGULHKSA-N 0 3 307.415 2.003 20 10 DECDHN Cn1nnnc1C1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000872788645 689094326 /nfs/dbraw/zinc/09/43/26/689094326.db2.gz ZLKDLOYHIQDXNU-UHFFFAOYSA-N 0 3 323.400 2.449 20 10 DECDHN CCN1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000874446808 689416511 /nfs/dbraw/zinc/41/65/11/689416511.db2.gz XCIHGJMYBQEMJT-UHFFFAOYSA-N 0 3 303.366 2.017 20 10 DECDHN CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CN2CCC1CC2 ZINC000874457307 689418144 /nfs/dbraw/zinc/41/81/44/689418144.db2.gz SNLPDXLLEJSODM-AWEZNQCLSA-N 0 3 315.377 2.015 20 10 DECDHN Cc1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c([O-])c1 ZINC000877505789 690134408 /nfs/dbraw/zinc/13/44/08/690134408.db2.gz ZAFZIXAADAMBSV-DOTOQJQBSA-N 0 3 305.418 2.358 20 10 DECDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000877516356 690137448 /nfs/dbraw/zinc/13/74/48/690137448.db2.gz DEBFQTSPMPFJOZ-HNNXBMFYSA-N 0 3 317.433 2.470 20 10 DECDHN Cc1cccc([O-])c1C[NH2+]CC(C)(C)[C@@H]1COCC12OCCO2 ZINC000877584382 690158801 /nfs/dbraw/zinc/15/88/01/690158801.db2.gz DVCJCVLKFIHJEN-INIZCTEOSA-N 0 3 321.417 2.206 20 10 DECDHN CN1CCN(Cc2cc(-c3ccccc3)ccc2O)[C@@H](CO)C1 ZINC000877644963 690177659 /nfs/dbraw/zinc/17/76/59/690177659.db2.gz WXEBMGCOQJUSJC-GOSISDBHSA-N 0 3 312.413 2.168 20 10 DECDHN COc1ccc(N2CCN(C[C@@H](OC)C3CC3)CC2)c(OC)c1 ZINC000877708199 690198702 /nfs/dbraw/zinc/19/87/02/690198702.db2.gz CYLQAWGPROHPGV-GOSISDBHSA-N 0 3 320.433 2.251 20 10 DECDHN COc1ccc(N2CCN([C@H]3CCO[C@H](C)C3)CC2)c(OC)c1 ZINC001168142372 780228632 /nfs/dbraw/zinc/22/86/32/780228632.db2.gz KYRTUVUZXIWAEF-CABCVRRESA-N 0 3 320.433 2.393 20 10 DECDHN Oc1cc(O)c(CN2CCO[C@@H](Cc3ccccc3)C2)c(O)c1 ZINC001144515376 790942062 /nfs/dbraw/zinc/94/20/62/790942062.db2.gz LTASDMHNBIYBQY-HNNXBMFYSA-N 0 3 315.369 2.247 20 10 DECDHN CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000968685590 784540514 /nfs/dbraw/zinc/54/05/14/784540514.db2.gz VYFMXLVWYDICKV-RISCZKNCSA-N 0 3 317.393 2.309 20 10 DECDHN CN(Cc1ccnc(N2CCOCC2)c1)Cc1ccccc1O ZINC001137439622 788358881 /nfs/dbraw/zinc/35/88/81/788358881.db2.gz ZXYFLOFANBYKNP-UHFFFAOYSA-N 0 3 313.401 2.256 20 10 DECDHN CCOc1ccc(N2CCN(CCC3OCCCO3)CC2)cc1 ZINC001116416210 794955797 /nfs/dbraw/zinc/95/57/97/794955797.db2.gz VJBIQMBGQPMNGD-UHFFFAOYSA-N 0 3 320.433 2.360 20 10 DECDHN [O-]c1ccc(F)cc1C[NH+]1CCC(N2CC(F)(F)C2)CC1 ZINC001140055004 796470815 /nfs/dbraw/zinc/47/08/15/796470815.db2.gz DECBRDOMJFCZPU-UHFFFAOYSA-N 0 3 300.324 2.447 20 10 DECDHN CN1CC2(C1)CC[N@H+](Cc1c([O-])cccc1Br)C2 ZINC001140103520 796476935 /nfs/dbraw/zinc/47/69/35/796476935.db2.gz NAZWSTXBXCIEIN-UHFFFAOYSA-N 0 3 311.223 2.292 20 10 DECDHN CN1CC2(C1)CC[N@@H+](Cc1c([O-])cccc1Br)C2 ZINC001140103520 796476940 /nfs/dbraw/zinc/47/69/40/796476940.db2.gz NAZWSTXBXCIEIN-UHFFFAOYSA-N 0 3 311.223 2.292 20 10 DECDHN O[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140660434 796552138 /nfs/dbraw/zinc/55/21/38/796552138.db2.gz RMOQPYJZMFCALL-MRXNPFEDSA-N 0 3 308.397 2.009 20 10 DECDHN Cc1c(O)ccc(CN2CCC[C@H](NC(=O)NC(C)C)C2)c1O ZINC001140750150 796567620 /nfs/dbraw/zinc/56/76/20/796567620.db2.gz WMQVYVKEJWKDES-AWEZNQCLSA-N 0 3 321.421 2.078 20 10 DECDHN CCCNC(=O)COC1CC[NH+](Cc2ccc(C)cc2[O-])CC1 ZINC001140954442 796606245 /nfs/dbraw/zinc/60/62/45/796606245.db2.gz RPKCQRUHDLUBNS-UHFFFAOYSA-N 0 3 320.433 2.208 20 10 DECDHN COC(=O)CC[C@H]1CC[N@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141028970 796620503 /nfs/dbraw/zinc/62/05/03/796620503.db2.gz FULVNULFQYZHNQ-LBPRGKRZSA-N 0 3 323.389 2.185 20 10 DECDHN COC(=O)CC[C@H]1CC[N@@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141028970 796620507 /nfs/dbraw/zinc/62/05/07/796620507.db2.gz FULVNULFQYZHNQ-LBPRGKRZSA-N 0 3 323.389 2.185 20 10 DECDHN COc1cc([O-])c(C[NH+]2CCC(N3CC(F)C3)CC2)c(OC)c1 ZINC001141029608 796621058 /nfs/dbraw/zinc/62/10/58/796621058.db2.gz XVFUDNWNFDTRNI-UHFFFAOYSA-N 0 3 324.396 2.028 20 10 DECDHN CC[NH+](CC)CCCN1CCN(Cc2cccc(F)c2[O-])CC1 ZINC001138128410 799594268 /nfs/dbraw/zinc/59/42/68/799594268.db2.gz IDGDDTWOLKSKOO-UHFFFAOYSA-N 0 3 323.456 2.381 20 10 DECDHN [O-]c1ccccc1C[NH+]1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC001203551864 800078429 /nfs/dbraw/zinc/07/84/29/800078429.db2.gz RCIRBXYEFKTNLG-IRXDYDNUSA-N 0 3 309.413 2.351 20 10 DECDHN COc1cccc(CN2CCCN(C(=O)C3CCC3)CC2)c1O ZINC001203595479 800086554 /nfs/dbraw/zinc/08/65/54/800086554.db2.gz DAGLWMHRGWNLFJ-UHFFFAOYSA-N 0 3 318.417 2.235 20 10 DECDHN COc1ccc(C[N@@H+]2CCC[C@H](c3noc(C)n3)C2)c([O-])c1 ZINC001203621561 800091718 /nfs/dbraw/zinc/09/17/18/800091718.db2.gz XGTVPECRYXTCGE-ZDUSSCGKSA-N 0 3 303.362 2.472 20 10 DECDHN COc1ccc(C[N@H+]2CCC[C@H](c3noc(C)n3)C2)c([O-])c1 ZINC001203621561 800091725 /nfs/dbraw/zinc/09/17/25/800091725.db2.gz XGTVPECRYXTCGE-ZDUSSCGKSA-N 0 3 303.362 2.472 20 10 DECDHN COc1ccc(C[NH+]2CCC3(CC(N(C)C)=NO3)CC2)c([O-])c1 ZINC001203623903 800093254 /nfs/dbraw/zinc/09/32/54/800093254.db2.gz XYYYEFGOSASTEM-UHFFFAOYSA-N 0 3 319.405 2.031 20 10 DECDHN COc1ccc(C[N@@H+]2CC[C@]3(C2)CCCCN3C(C)=O)c([O-])c1 ZINC001203630813 800094482 /nfs/dbraw/zinc/09/44/82/800094482.db2.gz WLXPQBMIVPVYCB-SFHVURJKSA-N 0 3 318.417 2.378 20 10 DECDHN COc1ccc(C[N@H+]2CC[C@]3(C2)CCCCN3C(C)=O)c([O-])c1 ZINC001203630813 800094488 /nfs/dbraw/zinc/09/44/88/800094488.db2.gz WLXPQBMIVPVYCB-SFHVURJKSA-N 0 3 318.417 2.378 20 10 DECDHN COC[C@]12CCCO[C@H]1CCN(Cc1ccc(O)c(O)c1)C2 ZINC001203877303 800138201 /nfs/dbraw/zinc/13/82/01/800138201.db2.gz PKHVMADVGKHFRS-DLBZAZTESA-N 0 3 307.390 2.115 20 10 DECDHN C[C@H]1CN(Cc2ccc(O)cc2O)CC[C@@]1(O)C(F)(F)F ZINC001204276329 800199182 /nfs/dbraw/zinc/19/91/82/800199182.db2.gz KOFDGLHQOWIUKP-ZANVPECISA-N 0 3 305.296 2.233 20 10 DECDHN COc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(O)cc3[O-])C2)nc1 ZINC001204278116 800199528 /nfs/dbraw/zinc/19/95/28/800199528.db2.gz UGBIAWLGOCSECP-OAHLLOKOSA-N 0 3 316.357 2.155 20 10 DECDHN COc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(O)cc3[O-])C2)nc1 ZINC001204278116 800199530 /nfs/dbraw/zinc/19/95/30/800199530.db2.gz UGBIAWLGOCSECP-OAHLLOKOSA-N 0 3 316.357 2.155 20 10 DECDHN Cc1cc([O-])c(CN2C[C@@H]([NH3+])C3(CC3)C2)cc1Br ZINC001204912688 800273301 /nfs/dbraw/zinc/27/33/01/800273301.db2.gz ZUVKEHMBAKWMOV-CYBMUJFWSA-N 0 3 311.223 2.386 20 10 DECDHN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1[C@@H](C)CC[C@H]1CN ZINC001205068726 800292712 /nfs/dbraw/zinc/29/27/12/800292712.db2.gz NGROPPRFJNKJAY-RYUDHWBXSA-N 0 3 302.374 2.119 20 10 DECDHN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1[C@@H](C)CC[C@H]1CN ZINC001205068726 800292713 /nfs/dbraw/zinc/29/27/13/800292713.db2.gz NGROPPRFJNKJAY-RYUDHWBXSA-N 0 3 302.374 2.119 20 10 DECDHN CCOc1ccc(N2CCN(CCCOCOC)CC2)cc1 ZINC001209030723 801116595 /nfs/dbraw/zinc/11/65/95/801116595.db2.gz BBPZTDBKTMVELK-UHFFFAOYSA-N 0 3 308.422 2.218 20 10 DECDHN COc1cc([O-])c(CN2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1Cl ZINC001232268028 801832787 /nfs/dbraw/zinc/83/27/87/801832787.db2.gz LHZCUTJBPFNQSV-MLGOLLRUSA-N 0 3 310.825 2.438 20 10 DECDHN COC(=O)c1c(CN2CCC3(COC3)C2)c2ccccc2n1C ZINC001232401649 801870249 /nfs/dbraw/zinc/87/02/49/801870249.db2.gz AKOXPOIQKVVRIZ-UHFFFAOYSA-N 0 3 314.385 2.187 20 10 DECDHN COc1cc(Cl)cc(C[N@H+](C)CCC2OCCO2)c1[O-] ZINC001233290254 802064243 /nfs/dbraw/zinc/06/42/43/802064243.db2.gz SBXNHUHPGAMGAX-UHFFFAOYSA-N 0 3 301.770 2.249 20 10 DECDHN COc1cc(Cl)cc(C[N@@H+](C)CCC2OCCO2)c1[O-] ZINC001233290254 802064246 /nfs/dbraw/zinc/06/42/46/802064246.db2.gz SBXNHUHPGAMGAX-UHFFFAOYSA-N 0 3 301.770 2.249 20 10 DECDHN C[NH+](C)C[C@@H]1COCCN1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233454675 802121421 /nfs/dbraw/zinc/12/14/21/802121421.db2.gz FILDPGVBXMTASM-CYBMUJFWSA-N 0 3 318.339 2.173 20 10 DECDHN CCc1noc([C@H]2CCCN(Cc3cc(O)c(O)cc3O)C2)n1 ZINC001233486361 802127518 /nfs/dbraw/zinc/12/75/18/802127518.db2.gz KHQFUGDPLKPFGM-JTQLQIEISA-N 0 3 319.361 2.128 20 10 DECDHN Cc1cc(O[C@@H]2C[NH2+][C@H]2C)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001218384284 802175176 /nfs/dbraw/zinc/17/51/76/802175176.db2.gz IXAUGCAYYNPXLO-ZUZCIYMTSA-N 0 3 323.348 2.215 20 10 DECDHN CO[C@@H]1CN(Cc2cccc(OC(F)(F)F)c2O)C[C@@H]1OC ZINC001233727678 802191017 /nfs/dbraw/zinc/19/10/17/802191017.db2.gz OBNNMNSBXXRYEL-TXEJJXNPSA-N 0 3 321.295 2.136 20 10 DECDHN COc1ccc(CNC[C@@H](OC)C(F)(F)F)c(O)c1OC ZINC001334172706 1150218915 /nfs/dbraw/zinc/21/89/15/1150218915.db2.gz QIUVWDZVXDNOSN-SNVBAGLBSA-N 0 3 309.284 2.076 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@H]2CC(=O)N(CC3CC3)C2)c1[O-] ZINC001331579012 1149540743 /nfs/dbraw/zinc/54/07/43/1149540743.db2.gz FXLATGXYMYSKSD-ZDUSSCGKSA-N 0 3 324.808 2.155 20 10 DECDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001465900114 1059383451 /nfs/dbraw/zinc/38/34/51/1059383451.db2.gz NQQGATRHLYQTCH-QMTHXVAHSA-N 0 3 315.377 2.062 20 10 DECDHN COc1cc(C)c(C[NH2+]CCCCCS(C)(=O)=O)c([O-])c1 ZINC001474465429 1060876886 /nfs/dbraw/zinc/87/68/86/1060876886.db2.gz QAMSKQRROFIHKU-UHFFFAOYSA-N 0 3 315.435 2.014 20 10 DECDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001632762369 1078390781 /nfs/dbraw/zinc/39/07/81/1078390781.db2.gz ZVTVBTWKOWXLKJ-ZDUSSCGKSA-N 0 3 317.393 2.452 20 10 DECDHN [NH3+]C[C@H](NCc1ccc(Br)cc1[O-])C(F)(F)F ZINC001580229881 1067532017 /nfs/dbraw/zinc/53/20/17/1067532017.db2.gz VGWMCCCIBNGUGN-VIFPVBQESA-N 0 3 313.117 2.134 20 10 DECDHN c1cc(CNCc2ccc3c(c2)CCO3)n(-c2ccncc2)n1 ZINC001649010201 1078653289 /nfs/dbraw/zinc/65/32/89/1078653289.db2.gz RAQCZODOKUEOEP-UHFFFAOYSA-N 0 3 306.369 2.492 20 10 DECDHN CN(C)c1ccc(CN(C)C(=O)NC[C@H]2CCCCN2C)cc1 ZINC001519760845 1069071553 /nfs/dbraw/zinc/07/15/53/1069071553.db2.gz MEDBTSVISLQGLS-QGZVFWFLSA-N 0 3 318.465 2.378 20 10 DECDHN O=C(NCc1c([O-])cccc1F)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001651240428 1079798278 /nfs/dbraw/zinc/79/82/78/1079798278.db2.gz XHHMHSGKBGRGAB-GFCCVEGCSA-N 0 3 315.348 2.069 20 10 DECDHN CCOC(OCC)[C@H](C)NCc1ccc(N2CCOCC2)cc1 ZINC001658198864 1080201563 /nfs/dbraw/zinc/20/15/63/1080201563.db2.gz XJQHFLUREXLIAM-HNNXBMFYSA-N 0 3 322.449 2.400 20 10 DECDHN COc1cc([O-])c(CN(C)CC[NH+](C)C)c(Br)c1 ZINC001237058760 1080411831 /nfs/dbraw/zinc/41/18/31/1080411831.db2.gz BRMXRAGUQSRWFC-UHFFFAOYSA-N 0 3 317.227 2.157 20 10 DECDHN O=C(c1cccc(O)c1[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCC1 ZINC001269608181 1081304956 /nfs/dbraw/zinc/30/49/56/1081304956.db2.gz YMHSOOBAQOLTGX-OKILXGFUSA-N 0 3 316.401 2.329 20 10 DECDHN O=C(c1cccc(O)c1[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCCC1 ZINC001269608181 1081304962 /nfs/dbraw/zinc/30/49/62/1081304962.db2.gz YMHSOOBAQOLTGX-OKILXGFUSA-N 0 3 316.401 2.329 20 10 DECDHN COC(=O)c1cc(CNCc2ccc(N(C)C)c(F)c2)c[nH]1 ZINC001648966159 1081960937 /nfs/dbraw/zinc/96/09/37/1081960937.db2.gz ZXLWNCHEGPXMDT-UHFFFAOYSA-N 0 3 305.353 2.296 20 10 DECDHN Cc1cc([O-])c(CN2CC[C@H]3C[C@@]3([NH3+])C2)cc1Br ZINC001235172519 1084334688 /nfs/dbraw/zinc/33/46/88/1084334688.db2.gz HLWGZBRXXNHTNN-SMDDNHRTSA-N 0 3 311.223 2.386 20 10 DECDHN COC(=O)C1(O)CCN(Cc2ccc(C(C)(C)C)cc2O)CC1 ZINC001235681672 1084496831 /nfs/dbraw/zinc/49/68/31/1084496831.db2.gz PIJPKKBFWIFLIB-UHFFFAOYSA-N 0 3 321.417 2.190 20 10 DECDHN Cc1cc(CN(C2CC2)C2C[NH2+]C2)c([O-])cc1Br ZINC001236063410 1084601598 /nfs/dbraw/zinc/60/15/98/1084601598.db2.gz HNVXKGYKOKNHGQ-UHFFFAOYSA-N 0 3 311.223 2.399 20 10 DECDHN CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(O)cc1[O-] ZINC001272982060 1085777065 /nfs/dbraw/zinc/77/70/65/1085777065.db2.gz DEYGFSPLEGYDSJ-HZPDHXFCSA-N 0 3 318.417 2.463 20 10 DECDHN CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(O)cc1[O-] ZINC001272982060 1085777068 /nfs/dbraw/zinc/77/70/68/1085777068.db2.gz DEYGFSPLEGYDSJ-HZPDHXFCSA-N 0 3 318.417 2.463 20 10 DECDHN COc1ccc(O)c([C@H](C)NCc2c3c(nn2C)CCOC3)c1 ZINC000922217997 1085851375 /nfs/dbraw/zinc/85/13/75/1085851375.db2.gz ZADQLCGLXJLAEU-NSHDSACASA-N 0 3 317.389 2.058 20 10 DECDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@]3(CCN(C)C3=O)C2)c1[O-] ZINC001274400149 1091225350 /nfs/dbraw/zinc/22/53/50/1091225350.db2.gz XOZNYPUUODMTQR-INIZCTEOSA-N 0 3 308.809 2.408 20 10 DECDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(CCN(C)C3=O)C2)c1[O-] ZINC001274400149 1091225358 /nfs/dbraw/zinc/22/53/58/1091225358.db2.gz XOZNYPUUODMTQR-INIZCTEOSA-N 0 3 308.809 2.408 20 10 DECDHN CCC1([NH3+])CN(Cc2c([O-])cc(OC)cc2Br)C1 ZINC001236185936 1138338640 /nfs/dbraw/zinc/33/86/40/1138338640.db2.gz CYEFNUZTONAHRQ-UHFFFAOYSA-N 0 3 315.211 2.086 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CC[C@@H]3[C@H](CCC(=O)N3C)C2)c([O-])c1 ZINC001236812539 1138437475 /nfs/dbraw/zinc/43/74/75/1138437475.db2.gz BDMRQULHHVEIIZ-CZUORRHYSA-N 0 3 318.417 2.152 20 10 DECDHN COc1cc(C)c(C[N@H+]2CC[C@@H]3[C@H](CCC(=O)N3C)C2)c([O-])c1 ZINC001236812539 1138437476 /nfs/dbraw/zinc/43/74/76/1138437476.db2.gz BDMRQULHHVEIIZ-CZUORRHYSA-N 0 3 318.417 2.152 20 10 DECDHN CO[C@H]1CCCN(Cc2ccc(N3CCN(C)CC3)cc2F)C1 ZINC001236933684 1138460699 /nfs/dbraw/zinc/46/06/99/1138460699.db2.gz ZLGGXOGNAIMYSU-KRWDZBQOSA-N 0 3 321.440 2.188 20 10 DECDHN CCOc1ccc(C[NH+]2CCC(n3cnnc3)CC2)c([O-])c1 ZINC001237044563 1138487750 /nfs/dbraw/zinc/48/77/50/1138487750.db2.gz PMPKDNBNEWNPBQ-UHFFFAOYSA-N 0 3 302.378 2.220 20 10 DECDHN CN(Cc1ccc(N2CCS(=O)(=O)CC2)cc1)CC(C)(C)C ZINC001237211371 1138536279 /nfs/dbraw/zinc/53/62/79/1138536279.db2.gz FUIQIARVVWQBLK-UHFFFAOYSA-N 0 3 324.490 2.399 20 10 DECDHN CC(C)C(=O)NCCN(C)Cc1ccc(N2CCCC2)cc1 ZINC001319841515 1140759475 /nfs/dbraw/zinc/75/94/75/1140759475.db2.gz JFFVPFNUCNBBMD-UHFFFAOYSA-N 0 3 303.450 2.491 20 10 DECDHN COCCC1CC[NH+](Cc2ccc(CC(=O)OC)cc2[O-])CC1 ZINC001249201098 1141859367 /nfs/dbraw/zinc/85/93/67/1141859367.db2.gz FGGVLSANDWHPRZ-UHFFFAOYSA-N 0 3 321.417 2.356 20 10 DECDHN NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccc(N2CCCC2)cc1 ZINC001338769018 1142877200 /nfs/dbraw/zinc/87/72/00/1142877200.db2.gz HMBNDMDXWNOPHG-NJAFHUGGSA-N 0 3 313.445 2.373 20 10 DECDHN CN(Cc1ccccc1O)C(=O)c1cccc2c1OCCNC2 ZINC001339973749 1143216226 /nfs/dbraw/zinc/21/62/26/1143216226.db2.gz GWHFMJOYBCMNCA-UHFFFAOYSA-N 0 3 312.369 2.146 20 10 DECDHN c1cn2c(cccc2CNCc2ccc(N3CCOCC3)cc2)n1 ZINC001308225463 1147456938 /nfs/dbraw/zinc/45/69/38/1147456938.db2.gz SOCHVRFSPWEHGV-UHFFFAOYSA-N 0 3 322.412 2.461 20 10 DECDHN CNC(=O)[C@H](Cc1ccccc1)NCc1ccc2c(c1)CCO2 ZINC001308371121 1147470393 /nfs/dbraw/zinc/47/03/93/1147470393.db2.gz LBZWTBGWUKBNDO-KRWDZBQOSA-N 0 3 310.397 2.068 20 10 DECDHN C[C@H]1CCCN(CCNC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000043862405 354227983 /nfs/dbraw/zinc/22/79/83/354227983.db2.gz FETRSYAPDGICQY-HNNXBMFYSA-N 0 3 318.465 2.284 20 10 DECDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CCN(C)CC2)c([O-])c1C ZINC000273594141 130142329 /nfs/dbraw/zinc/14/23/29/130142329.db2.gz QBAPJKCNOUOVAZ-GDBMZVCRSA-N 0 3 305.466 2.296 20 10 DECDHN CCOC(=O)N1CC[C@H](NCc2ccc(N(C)C)c(F)c2)C1 ZINC000274403060 130232253 /nfs/dbraw/zinc/23/22/53/130232253.db2.gz BJTTXTYDTXDRSP-ZDUSSCGKSA-N 0 3 309.385 2.212 20 10 DECDHN CC[C@@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000285524994 131177431 /nfs/dbraw/zinc/17/74/31/131177431.db2.gz BJUCVDVYJXIZGO-XJKSGUPXSA-N 0 3 309.429 2.208 20 10 DECDHN CC[C@@H]([NH2+]CCCN1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000285872682 131206833 /nfs/dbraw/zinc/20/68/33/131206833.db2.gz ZBBPZAOMAKRJNM-MRXNPFEDSA-N 0 3 309.429 2.210 20 10 DECDHN Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c([O-])c1O ZINC000286913400 131255264 /nfs/dbraw/zinc/25/52/64/131255264.db2.gz CYPJVTHEFPEVLQ-TZMCWYRMSA-N 0 3 304.390 2.105 20 10 DECDHN CCOc1cccc(CN[C@@H]2COc3ccccc3[C@H]2O)c1O ZINC000288427562 131325326 /nfs/dbraw/zinc/32/53/26/131325326.db2.gz BMRIVGQDBPDPHO-RDTXWAMCSA-N 0 3 315.369 2.375 20 10 DECDHN CCOc1cccc(C[NH2+][C@@H]2COc3ccccc3[C@H]2O)c1[O-] ZINC000288427562 131325328 /nfs/dbraw/zinc/32/53/28/131325328.db2.gz BMRIVGQDBPDPHO-RDTXWAMCSA-N 0 3 315.369 2.375 20 10 DECDHN CCOc1cccc(CN[C@H](C)C(=O)NCc2ccco2)c1O ZINC000111399361 401714245 /nfs/dbraw/zinc/71/42/45/401714245.db2.gz RQBQMERCQCSYBA-GFCCVEGCSA-N 0 3 318.373 2.178 20 10 DECDHN C[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)CN1CCN(C)CC1 ZINC000113335727 401776611 /nfs/dbraw/zinc/77/66/11/401776611.db2.gz UCNTXHOFVTYKDE-ZDUSSCGKSA-N 0 3 311.857 2.019 20 10 DECDHN CCOc1cccc(C[N@@H+]2CC[C@H](COCCOC)C2)c1[O-] ZINC000093754733 402019420 /nfs/dbraw/zinc/01/94/20/402019420.db2.gz HBMRDSDIMCUYGP-AWEZNQCLSA-N 0 3 309.406 2.276 20 10 DECDHN CCOc1cccc(C[N@H+]2CC[C@H](COCCOC)C2)c1[O-] ZINC000093754733 402019424 /nfs/dbraw/zinc/01/94/24/402019424.db2.gz HBMRDSDIMCUYGP-AWEZNQCLSA-N 0 3 309.406 2.276 20 10 DECDHN COc1cc([O-])c(C[N@H+](C)CCc2ccccn2)cc1OC ZINC000120784474 402002312 /nfs/dbraw/zinc/00/23/12/402002312.db2.gz HCLKELHDIQYNGC-UHFFFAOYSA-N 0 3 302.374 2.479 20 10 DECDHN COc1cc([O-])c(C[N@@H+](C)CCc2ccccn2)cc1OC ZINC000120784474 402002314 /nfs/dbraw/zinc/00/23/14/402002314.db2.gz HCLKELHDIQYNGC-UHFFFAOYSA-N 0 3 302.374 2.479 20 10 DECDHN CCOc1cccc(C[NH2+][C@@H](CO)Cc2ccccc2)c1[O-] ZINC000152720557 402105481 /nfs/dbraw/zinc/10/54/81/402105481.db2.gz MWGHKKCGZOPVAI-MRXNPFEDSA-N 0 3 301.386 2.484 20 10 DECDHN COc1cccc(CNCc2ccc(S(C)(=O)=O)cc2)c1O ZINC000066870142 402144945 /nfs/dbraw/zinc/14/49/45/402144945.db2.gz WEUZYUHDQYJVME-UHFFFAOYSA-N 0 3 321.398 2.094 20 10 DECDHN Cc1noc([C@@H]2CCCN(Cc3cc4c(cc3O)OCO4)C2)n1 ZINC000068962512 402210051 /nfs/dbraw/zinc/21/00/51/402210051.db2.gz GAKBEHSFTYBOKN-LLVKDONJSA-N 0 3 317.345 2.192 20 10 DECDHN Cc1noc([C@@H]2CCC[N@H+](Cc3cc4c(cc3[O-])OCO4)C2)n1 ZINC000068962512 402210053 /nfs/dbraw/zinc/21/00/53/402210053.db2.gz GAKBEHSFTYBOKN-LLVKDONJSA-N 0 3 317.345 2.192 20 10 DECDHN Cc1noc([C@@H]2CCC[N@@H+](Cc3cc4c(cc3[O-])OCO4)C2)n1 ZINC000068962512 402210054 /nfs/dbraw/zinc/21/00/54/402210054.db2.gz GAKBEHSFTYBOKN-LLVKDONJSA-N 0 3 317.345 2.192 20 10 DECDHN Cc1noc([C@H]2CCCN(Cc3cc4c(cc3O)OCO4)C2)n1 ZINC000068962516 402210099 /nfs/dbraw/zinc/21/00/99/402210099.db2.gz GAKBEHSFTYBOKN-NSHDSACASA-N 0 3 317.345 2.192 20 10 DECDHN Cc1noc([C@H]2CCC[N@H+](Cc3cc4c(cc3[O-])OCO4)C2)n1 ZINC000068962516 402210103 /nfs/dbraw/zinc/21/01/03/402210103.db2.gz GAKBEHSFTYBOKN-NSHDSACASA-N 0 3 317.345 2.192 20 10 DECDHN Cc1noc([C@H]2CCC[N@@H+](Cc3cc4c(cc3[O-])OCO4)C2)n1 ZINC000068962516 402210104 /nfs/dbraw/zinc/21/01/04/402210104.db2.gz GAKBEHSFTYBOKN-NSHDSACASA-N 0 3 317.345 2.192 20 10 DECDHN CNC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000184693247 402292218 /nfs/dbraw/zinc/29/22/18/402292218.db2.gz MXBGPJXFYQFCCQ-JTQLQIEISA-N 0 3 312.797 2.012 20 10 DECDHN CNC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000184693247 402292220 /nfs/dbraw/zinc/29/22/20/402292220.db2.gz MXBGPJXFYQFCCQ-JTQLQIEISA-N 0 3 312.797 2.012 20 10 DECDHN CCN1CCN(CCC[NH2+][C@H](C)c2ccc(C)cc2[O-])CC1 ZINC000185014092 402317484 /nfs/dbraw/zinc/31/74/84/402317484.db2.gz YWIZKRHEYHLCOU-MRXNPFEDSA-N 0 3 305.466 2.379 20 10 DECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2COC3(CCOCC3)O2)c1 ZINC000186375204 402426263 /nfs/dbraw/zinc/42/62/63/402426263.db2.gz GRXJYBILAKSDIV-KGLIPLIRSA-N 0 3 307.390 2.273 20 10 DECDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c1 ZINC000179373763 402587031 /nfs/dbraw/zinc/58/70/31/402587031.db2.gz JWPBOZSRFUVYLE-ZDUSSCGKSA-N 0 3 307.390 2.376 20 10 DECDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](C3OCCO3)C2)c1 ZINC000179373763 402587033 /nfs/dbraw/zinc/58/70/33/402587033.db2.gz JWPBOZSRFUVYLE-ZDUSSCGKSA-N 0 3 307.390 2.376 20 10 DECDHN CCOc1cccc(CN2CCC[C@H](n3cncn3)C2)c1O ZINC000179466427 402590726 /nfs/dbraw/zinc/59/07/26/402590726.db2.gz KAXMJRUUVGOBMA-AWEZNQCLSA-N 0 3 302.378 2.220 20 10 DECDHN CCN(CC)c1ccc(CN[C@H]2C(=O)NCC[C@H]2C)cc1F ZINC000193684733 402775465 /nfs/dbraw/zinc/77/54/65/402775465.db2.gz LUBWEJHZBIBSCG-MLGOLLRUSA-N 0 3 307.413 2.286 20 10 DECDHN COc1cc([O-])c(C[NH2+]C[C@H](O)c2ccc(F)cc2)cc1OC ZINC000278664596 402869607 /nfs/dbraw/zinc/86/96/07/402869607.db2.gz LAGQAAQPNQBQKY-HNNXBMFYSA-N 0 3 321.348 2.372 20 10 DECDHN CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cccc(C)c1[O-])CC2 ZINC000271813455 402884552 /nfs/dbraw/zinc/88/45/52/402884552.db2.gz MHEDKCAMPJETOB-CVEARBPZSA-N 0 3 305.418 2.453 20 10 DECDHN COc1c([O-])c(CN[C@H]2CC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000278948910 402889285 /nfs/dbraw/zinc/88/92/85/402889285.db2.gz YZLBMJUNQBVQPO-QWHCGFSZSA-N 0 3 321.377 2.025 20 10 DECDHN COc1c([O-])c(CN[C@H]2CC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000278948910 402889288 /nfs/dbraw/zinc/88/92/88/402889288.db2.gz YZLBMJUNQBVQPO-QWHCGFSZSA-N 0 3 321.377 2.025 20 10 DECDHN CNC(=O)CCN(C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279696915 402961082 /nfs/dbraw/zinc/96/10/82/402961082.db2.gz RIZSCXZUOCKECU-UHFFFAOYSA-N 0 3 317.355 2.339 20 10 DECDHN COc1cccc(CN2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1O ZINC000280565719 403013664 /nfs/dbraw/zinc/01/36/64/403013664.db2.gz VIZFMDFZFYYISG-GDZNZVCISA-N 0 3 307.390 2.169 20 10 DECDHN CC(C)OC[C@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000269045969 403122908 /nfs/dbraw/zinc/12/29/08/403122908.db2.gz NJAOOIDBOZTFLQ-IAGOWNOFSA-N 0 3 323.433 2.159 20 10 DECDHN CC(C)OC[C@H](O)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000269045969 403122912 /nfs/dbraw/zinc/12/29/12/403122912.db2.gz NJAOOIDBOZTFLQ-IAGOWNOFSA-N 0 3 323.433 2.159 20 10 DECDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CCO[C@@]3(CCSC3)C1)OCO2 ZINC000269106024 403123422 /nfs/dbraw/zinc/12/34/22/403123422.db2.gz AVIPVCVRCGTNNE-WBMJQRKESA-N 0 3 323.414 2.265 20 10 DECDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COCCOC ZINC000295295468 403838079 /nfs/dbraw/zinc/83/80/79/403838079.db2.gz JQXIRPCXNNSUQR-INIZCTEOSA-N 0 3 311.422 2.018 20 10 DECDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H](O)COCCOC ZINC000295295468 403838082 /nfs/dbraw/zinc/83/80/82/403838082.db2.gz JQXIRPCXNNSUQR-INIZCTEOSA-N 0 3 311.422 2.018 20 10 DECDHN C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1ccccc1[O-] ZINC000315422329 404010708 /nfs/dbraw/zinc/01/07/08/404010708.db2.gz ISVSXBSKCRRFHB-IUODEOHRSA-N 0 3 301.390 2.309 20 10 DECDHN C[C@H]1CN(CCC[NH2+][C@H]2CCc3cccc([O-])c32)CCCO1 ZINC000296618183 404312513 /nfs/dbraw/zinc/31/25/13/404312513.db2.gz YYXYNCJQLYLCGY-HOCLYGCPSA-N 0 3 304.434 2.470 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c1[O-] ZINC000359871122 404807552 /nfs/dbraw/zinc/80/75/52/404807552.db2.gz MMPZARMBKYIZCE-BIMULSAOSA-N 0 3 324.808 2.153 20 10 DECDHN CC(C)[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)N(C)C ZINC000565015240 406068691 /nfs/dbraw/zinc/06/86/91/406068691.db2.gz MQAMOIZVNZLXPO-MRXNPFEDSA-N 0 3 305.422 2.064 20 10 DECDHN CN(C)C(=O)CNCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000375681821 227154636 /nfs/dbraw/zinc/15/46/36/227154636.db2.gz ZDZNTUKOLNQHEJ-UHFFFAOYSA-N 0 3 323.440 2.427 20 10 DECDHN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000377394611 227189248 /nfs/dbraw/zinc/18/92/48/227189248.db2.gz YDGLKRLAEBMTOG-WDEREUQCSA-N 0 3 314.788 2.138 20 10 DECDHN [O-]c1ccc(Cl)c(F)c1CNC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000377394611 227189253 /nfs/dbraw/zinc/18/92/53/227189253.db2.gz YDGLKRLAEBMTOG-WDEREUQCSA-N 0 3 314.788 2.138 20 10 DECDHN [O-]c1ccc(Cl)c(F)c1CNC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000377394611 227189258 /nfs/dbraw/zinc/18/92/58/227189258.db2.gz YDGLKRLAEBMTOG-WDEREUQCSA-N 0 3 314.788 2.138 20 10 DECDHN O=C(c1cn[n-]c1[C@@H]1CC[NH2+]C1)N1CCc2ccc(Cl)cc21 ZINC000662422909 425647299 /nfs/dbraw/zinc/64/72/99/425647299.db2.gz RUIXSUHLVYPJDR-LLVKDONJSA-N 0 3 316.792 2.343 20 10 DECDHN C[C@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1ccccc1[O-] ZINC000315422336 337986895 /nfs/dbraw/zinc/98/68/95/337986895.db2.gz ISVSXBSKCRRFHB-WFASDCNBSA-N 0 3 301.390 2.309 20 10 DECDHN C[C@H](NCC(=O)NCC(F)F)c1cc2c(cc1O)CCCC2 ZINC000280934667 533821273 /nfs/dbraw/zinc/82/12/73/533821273.db2.gz RZFIPIAJAUZPND-JTQLQIEISA-N 0 3 312.360 2.303 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]CCN2CCSCC2)c1[O-] ZINC000230935568 533953136 /nfs/dbraw/zinc/95/31/36/533953136.db2.gz COFYTYIVSVAEFY-UHFFFAOYSA-N 0 3 316.854 2.193 20 10 DECDHN COc1ccc(O)c(CN2CCC([C@@H](O)c3ncc[nH]3)CC2)c1 ZINC000369093644 534198579 /nfs/dbraw/zinc/19/85/79/534198579.db2.gz WSPRLRRENHPOEV-MRXNPFEDSA-N 0 3 317.389 2.070 20 10 DECDHN COc1ccc([O-])c(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)c1 ZINC000369093644 534198585 /nfs/dbraw/zinc/19/85/85/534198585.db2.gz WSPRLRRENHPOEV-MRXNPFEDSA-N 0 3 317.389 2.070 20 10 DECDHN CCC[C@](C)(N)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000366331144 521272536 /nfs/dbraw/zinc/27/25/36/521272536.db2.gz UJIHOIOCWABPHL-SFHVURJKSA-N 0 3 319.449 2.251 20 10 DECDHN CC[C@H]([NH2+]C[C@H](C)CN1CCN(C)CC1)c1ccccc1[O-] ZINC000155655920 522624064 /nfs/dbraw/zinc/62/40/64/522624064.db2.gz OEBQPFYXCKJVEM-RDJZCZTQSA-N 0 3 305.466 2.316 20 10 DECDHN COCCCOC1CC[NH+](Cc2cc(OC)ccc2[O-])CC1 ZINC000180354147 523385442 /nfs/dbraw/zinc/38/54/42/523385442.db2.gz ZXNORNXUBQWHHO-UHFFFAOYSA-N 0 3 309.406 2.418 20 10 DECDHN Cc1cc(C(=O)N2C[C@@H](C)NC[C@@H]2C)c(C)n1-c1ccccn1 ZINC000237645002 526261837 /nfs/dbraw/zinc/26/18/37/526261837.db2.gz BXCYTXMISLFAAQ-OCCSQVGLSA-N 0 3 312.417 2.312 20 10 DECDHN CC(C)[C@@H](C[NH2+][C@H](C)c1ccccc1[O-])N1CCN(C)CC1 ZINC000194261219 528465463 /nfs/dbraw/zinc/46/54/63/528465463.db2.gz RJXIRIPSISKMOA-NVXWUHKLSA-N 0 3 305.466 2.315 20 10 DECDHN COc1cc(Br)cc([C@H](C)[NH2+]CC2COC2)c1[O-] ZINC000858551834 622624419 /nfs/dbraw/zinc/62/44/19/622624419.db2.gz AMFUCDABUAZFMT-QMMMGPOBSA-N 0 3 316.195 2.460 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)c2cscn2)N(C)C)cc1 ZINC000891248463 623792525 /nfs/dbraw/zinc/79/25/25/623792525.db2.gz MAVNYZLLDDEQPK-HNNXBMFYSA-N 0 3 318.446 2.242 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCCO2)N(C)C)cc1 ZINC000891253094 623799686 /nfs/dbraw/zinc/79/96/86/623799686.db2.gz QLYSPUDUVVSWMT-IAGOWNOFSA-N 0 3 319.449 2.041 20 10 DECDHN COCCCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891255708 623804461 /nfs/dbraw/zinc/80/44/61/623804461.db2.gz RHMVYBBIYHYSPH-QGZVFWFLSA-N 0 3 321.465 2.288 20 10 DECDHN C[NH+](C)CCOc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000188219054 625955607 /nfs/dbraw/zinc/95/56/07/625955607.db2.gz RITBEMYOVSYLGH-UHFFFAOYSA-N 0 3 316.357 2.291 20 10 DECDHN CCS(=O)(=O)C1(CNCc2ccc3c(c2)CCCO3)CC1 ZINC000922258067 636048572 /nfs/dbraw/zinc/04/85/72/636048572.db2.gz AGGGUMSNUYPZSH-UHFFFAOYSA-N 0 3 309.431 2.069 20 10 DECDHN COc1ccc(C[NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)c([O-])c1 ZINC000894186444 636400633 /nfs/dbraw/zinc/40/06/33/636400633.db2.gz WZUAYDWDVOYFAD-KBPBESRZSA-N 0 3 311.353 2.124 20 10 DECDHN COC(=O)[C@@H]1[C@H](CNCc2ccc(N(C)C)c(F)c2)C1(F)F ZINC000894207990 636435007 /nfs/dbraw/zinc/43/50/07/636435007.db2.gz CELCVDVORIJDLR-GWCFXTLKSA-N 0 3 316.323 2.036 20 10 DECDHN C[C@@H]([NH2+]CC(C)(C)[C@H]1COCC12OCCO2)c1ccccc1[O-] ZINC000840795896 650358910 /nfs/dbraw/zinc/35/89/10/650358910.db2.gz CAFVYXVOWOHIAR-CZUORRHYSA-N 0 3 321.417 2.459 20 10 DECDHN CO[C@@H]1COC[C@@H]1NCc1ccc(N2CCCCC2)c(C)c1 ZINC000839201154 637824596 /nfs/dbraw/zinc/82/45/96/637824596.db2.gz PQQBWBZCWZBOOD-FUHWJXTLSA-N 0 3 304.434 2.489 20 10 DECDHN C[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1cc(F)ccc1[O-] ZINC000840876116 650370053 /nfs/dbraw/zinc/37/00/53/650370053.db2.gz KXHLJEJEHDWUPO-SNVBAGLBSA-N 0 3 303.399 2.395 20 10 DECDHN COc1cc(C)cc(CN[C@H]2Cc3ccccc3NC2=O)c1O ZINC000895402012 638001962 /nfs/dbraw/zinc/00/19/62/638001962.db2.gz HYFVXTFFTOQTCB-HNNXBMFYSA-N 0 3 312.369 2.362 20 10 DECDHN Cc1cc(N(C)C)ccc1CN1CC[C@@H](OC(=O)N(C)C)C1 ZINC000840951567 650394488 /nfs/dbraw/zinc/39/44/88/650394488.db2.gz ZBRGTFWXFVRMBN-MRXNPFEDSA-N 0 3 305.422 2.334 20 10 DECDHN [O-]c1ccc(Br)cc1CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000841105310 650432192 /nfs/dbraw/zinc/43/21/92/650432192.db2.gz JVSTUKDGAUHIOI-AWEZNQCLSA-N 0 3 311.223 2.483 20 10 DECDHN CC[N@H+](CCC(N)=O)Cc1cc(Br)cc(C)c1[O-] ZINC000896712081 638651234 /nfs/dbraw/zinc/65/12/34/638651234.db2.gz NPVOJVJNELESNH-UHFFFAOYSA-N 0 3 315.211 2.160 20 10 DECDHN CC[N@@H+](CCC(N)=O)Cc1cc(Br)cc(C)c1[O-] ZINC000896712081 638651235 /nfs/dbraw/zinc/65/12/35/638651235.db2.gz NPVOJVJNELESNH-UHFFFAOYSA-N 0 3 315.211 2.160 20 10 DECDHN CCOc1ccc(C[NH2+][C@H]2C(=O)NCC2(CC)CC)c([O-])c1 ZINC000897344420 639522667 /nfs/dbraw/zinc/52/26/67/639522667.db2.gz BYORAELKQWOFJA-HNNXBMFYSA-N 0 3 306.406 2.185 20 10 DECDHN C[C@H](CCS(C)(=O)=O)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756659213 639683328 /nfs/dbraw/zinc/68/33/28/639683328.db2.gz PMGIUZZVYACBAE-FOGDFJRCSA-N 0 3 315.410 2.492 20 10 DECDHN COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000757926014 639895583 /nfs/dbraw/zinc/89/55/83/639895583.db2.gz IYJXDFBMPODNAR-OAHLLOKOSA-N 0 3 315.797 2.412 20 10 DECDHN O=C1OCCCN1C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000897591295 640830487 /nfs/dbraw/zinc/83/04/87/640830487.db2.gz DOZAJFBSFDVNOL-UHFFFAOYSA-N 0 3 308.353 2.338 20 10 DECDHN CC[C@@H](NCc1ccc(C(N)=O)nc1)c1ccc(N(C)C)cc1 ZINC000766529925 640891823 /nfs/dbraw/zinc/89/18/23/640891823.db2.gz CCOPMIHUEWKUJI-MRXNPFEDSA-N 0 3 312.417 2.487 20 10 DECDHN CCOC(=O)C1([C@H](C)[NH2+]Cc2ccccc2[O-])CCOCC1 ZINC000897745531 640927996 /nfs/dbraw/zinc/92/79/96/640927996.db2.gz JOYBZHIJLWMASD-ZDUSSCGKSA-N 0 3 307.390 2.230 20 10 DECDHN COc1cccc([O-])c1C[NH+]1CCC(C(=O)NCC(C)C)CC1 ZINC000768232612 641060893 /nfs/dbraw/zinc/06/08/93/641060893.db2.gz GFRXIAHZVBMBRS-UHFFFAOYSA-N 0 3 320.433 2.385 20 10 DECDHN CCOc1ccc(C[N@@H+]2CC[C@H](COCCOC)C2)c([O-])c1 ZINC000769508583 641253136 /nfs/dbraw/zinc/25/31/36/641253136.db2.gz RZCQTMUHHFKSOB-AWEZNQCLSA-N 0 3 309.406 2.276 20 10 DECDHN CCOc1ccc(C[N@H+]2CC[C@H](COCCOC)C2)c([O-])c1 ZINC000769508583 641253142 /nfs/dbraw/zinc/25/31/42/641253142.db2.gz RZCQTMUHHFKSOB-AWEZNQCLSA-N 0 3 309.406 2.276 20 10 DECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000769551132 641259479 /nfs/dbraw/zinc/25/94/79/641259479.db2.gz VGZAJQUFTXKDQR-ZDUSSCGKSA-N 0 3 301.390 2.199 20 10 DECDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000769551132 641259486 /nfs/dbraw/zinc/25/94/86/641259486.db2.gz VGZAJQUFTXKDQR-ZDUSSCGKSA-N 0 3 301.390 2.199 20 10 DECDHN CCN(C)c1ccc(CN2CCN(CC(C)(C)O)CC2)cc1 ZINC000773747341 641819115 /nfs/dbraw/zinc/81/91/15/641819115.db2.gz FDEYMTPFQCHCJP-UHFFFAOYSA-N 0 3 305.466 2.031 20 10 DECDHN CCCN(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899103255 641935050 /nfs/dbraw/zinc/93/50/50/641935050.db2.gz YJRGIGNVYLNQHJ-MRXNPFEDSA-N 0 3 306.454 2.407 20 10 DECDHN Cc1cc(Br)cc(C[NH2+]CCC[S@@](C)=O)c1[O-] ZINC000776208657 642143695 /nfs/dbraw/zinc/14/36/95/642143695.db2.gz JAKWYBWUFRPYJQ-QGZVFWFLSA-N 0 3 320.252 2.321 20 10 DECDHN CCCNC(=S)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899725078 642150388 /nfs/dbraw/zinc/15/03/88/642150388.db2.gz SDJIKFLFRXIUHY-OAHLLOKOSA-N 0 3 308.495 2.229 20 10 DECDHN COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000776867888 642214186 /nfs/dbraw/zinc/21/41/86/642214186.db2.gz NXMCSKHMDVPYLQ-DJSGYFEHSA-N 0 3 313.369 2.002 20 10 DECDHN Cc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c([O-])c1O ZINC000780887527 642684401 /nfs/dbraw/zinc/68/44/01/642684401.db2.gz QNNQQKDIABIZDI-CHWSQXEVSA-N 0 3 306.406 2.399 20 10 DECDHN Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)c([O-])c1O ZINC000780887527 642684403 /nfs/dbraw/zinc/68/44/03/642684403.db2.gz QNNQQKDIABIZDI-CHWSQXEVSA-N 0 3 306.406 2.399 20 10 DECDHN Oc1cc2c(cc1CN1CCC[C@H](OC(F)F)C1)[C@@H](O)CO2 ZINC000781150513 642719774 /nfs/dbraw/zinc/71/97/74/642719774.db2.gz DWFMSEJKTDMQDL-GWCFXTLKSA-N 0 3 315.316 2.022 20 10 DECDHN COc1ccc(N2CC[C@H](CN[C@H](C)c3cn(C)nn3)C2)cc1 ZINC000903026662 643230487 /nfs/dbraw/zinc/23/04/87/643230487.db2.gz RDZCZLSGOHGFDD-ZIAGYGMSSA-N 0 3 315.421 2.001 20 10 DECDHN CNC(=O)OC[C@H]1CCCCN1Cc1ccc(N(C)C)cc1 ZINC000805826067 643445244 /nfs/dbraw/zinc/44/52/44/643445244.db2.gz OQKPWISIIVILKT-MRXNPFEDSA-N 0 3 305.422 2.463 20 10 DECDHN COCCN(Cc1cc(Cl)cc(OC)c1O)[C@@H]1CCOC1 ZINC000787335926 643483462 /nfs/dbraw/zinc/48/34/62/643483462.db2.gz VQQQTLFYWNDARZ-CYBMUJFWSA-N 0 3 315.797 2.292 20 10 DECDHN COc1c([O-])c(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1[N+](=O)[O-] ZINC000843046791 650876257 /nfs/dbraw/zinc/87/62/57/650876257.db2.gz CKVHFALAWSKUEA-FUNVUKJBSA-N 0 3 321.377 2.024 20 10 DECDHN C[C@@H](NC(=O)N1CCN2CCC1CC2)c1ccc(N(C)C)cc1 ZINC000790833248 643901215 /nfs/dbraw/zinc/90/12/15/643901215.db2.gz ATLUAKRLORJGQM-CQSZACIVSA-N 0 3 316.449 2.303 20 10 DECDHN C[NH+](C)CC(C)(C)CNC(=S)NCc1c([O-])cccc1F ZINC000905661774 643988457 /nfs/dbraw/zinc/98/84/57/643988457.db2.gz RGQUTOOTLNBSFP-UHFFFAOYSA-N 0 3 313.442 2.083 20 10 DECDHN COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC)cc2[O-])[C@H]1C ZINC000793387272 644243861 /nfs/dbraw/zinc/24/38/61/644243861.db2.gz BQSMKGCTXBYOJM-HUBLWGQQSA-N 0 3 307.390 2.468 20 10 DECDHN C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)[C@@H]2CCOC2)c2c1c(F)ccc2[O-] ZINC000795834418 644644794 /nfs/dbraw/zinc/64/47/94/644644794.db2.gz VAWCJUHCUJBRET-NMKXLXIOSA-N 0 3 309.381 2.314 20 10 DECDHN C[C@@H]1C[C@H]([NH2+]CC(=O)NCC(F)F)c2c1c(F)ccc2[O-] ZINC000795845035 644646558 /nfs/dbraw/zinc/64/65/58/644646558.db2.gz OKXKWAHJRUNEOH-APPZFPTMSA-N 0 3 302.296 2.051 20 10 DECDHN CSCC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C(=O)N(C)C ZINC000806663190 645859248 /nfs/dbraw/zinc/85/92/48/645859248.db2.gz TZJZZCBCBDQWQP-GWCFXTLKSA-N 0 3 314.426 2.392 20 10 DECDHN CN(C)C[C@@H](NC(=O)c1cccc(O)c1O)c1ccc(F)cc1 ZINC000807786570 645989448 /nfs/dbraw/zinc/98/94/48/645989448.db2.gz GZOVHTJIAOPXOP-CQSZACIVSA-N 0 3 318.348 2.270 20 10 DECDHN CN(C)C[C@H](NC(=O)c1cccc(O)c1O)c1ccc(F)cc1 ZINC000807786569 645989690 /nfs/dbraw/zinc/98/96/90/645989690.db2.gz GZOVHTJIAOPXOP-AWEZNQCLSA-N 0 3 318.348 2.270 20 10 DECDHN CCOc1ccc(C[NH2+]C[C@@H](CO)c2cccnc2)c([O-])c1 ZINC000808430449 646083841 /nfs/dbraw/zinc/08/38/41/646083841.db2.gz GOMRTRJIGMVZOD-HNNXBMFYSA-N 0 3 302.374 2.052 20 10 DECDHN CSCC[C@H](NCc1ccc(N(C)C)cc1)C(=O)N(C)C ZINC000808439015 646084724 /nfs/dbraw/zinc/08/47/24/646084724.db2.gz UIFRESVCSRBHJB-HNNXBMFYSA-N 0 3 309.479 2.052 20 10 DECDHN CO[C@@H]1C[C@H]([N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)C12CCC2 ZINC000840140271 646092314 /nfs/dbraw/zinc/09/23/14/646092314.db2.gz MUXJMGZYSLTFFH-HYVNUMGLSA-N 0 3 319.401 2.207 20 10 DECDHN CO[C@@H]1C[C@H]([N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)C12CCC2 ZINC000840140271 646092315 /nfs/dbraw/zinc/09/23/15/646092315.db2.gz MUXJMGZYSLTFFH-HYVNUMGLSA-N 0 3 319.401 2.207 20 10 DECDHN C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000912808008 646172107 /nfs/dbraw/zinc/17/21/07/646172107.db2.gz SDGFRYTZQBYUDT-TZMCWYRMSA-N 0 3 306.406 2.290 20 10 DECDHN CCOc1ccc(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c([O-])c1 ZINC000809772167 646282329 /nfs/dbraw/zinc/28/23/29/646282329.db2.gz VXIBUIIYQXLXKU-OAHLLOKOSA-N 0 3 318.417 2.235 20 10 DECDHN CCOc1ccc(C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c([O-])c1 ZINC000809772167 646282331 /nfs/dbraw/zinc/28/23/31/646282331.db2.gz VXIBUIIYQXLXKU-OAHLLOKOSA-N 0 3 318.417 2.235 20 10 DECDHN C[C@H]([NH2+]Cc1ccc(CC(N)=O)cc1)c1cc(F)ccc1[O-] ZINC000810243441 646343342 /nfs/dbraw/zinc/34/33/42/646343342.db2.gz OCPGGZIPQXUTTL-NSHDSACASA-N 0 3 302.349 2.410 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]CCC(=O)NC(C)(C)C)c1[O-] ZINC000228673941 646637072 /nfs/dbraw/zinc/63/70/72/646637072.db2.gz ZSFORBMKLKAFKL-UHFFFAOYSA-N 0 3 314.813 2.449 20 10 DECDHN C[C@@H]1C[C@@H]([NH2+]CCCc2cnn(C)n2)c2c1c(F)ccc2[O-] ZINC000815639974 647037770 /nfs/dbraw/zinc/03/77/70/647037770.db2.gz MIBUZXHWMZCBQE-ZWNOBZJWSA-N 0 3 304.369 2.431 20 10 DECDHN CCN1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC000994496183 647970401 /nfs/dbraw/zinc/97/04/01/647970401.db2.gz OVGLSVNMHDMOMF-BXUZGUMPSA-N 0 3 317.393 2.452 20 10 DECDHN O=C1CC[C@@H](C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)O1 ZINC000821392508 648051924 /nfs/dbraw/zinc/05/19/24/648051924.db2.gz ZZHMPOGYCJRQEJ-GJZGRUSLSA-N 0 3 305.374 2.079 20 10 DECDHN O=C1CC[C@@H](C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)O1 ZINC000821392508 648051930 /nfs/dbraw/zinc/05/19/30/648051930.db2.gz ZZHMPOGYCJRQEJ-GJZGRUSLSA-N 0 3 305.374 2.079 20 10 DECDHN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCN1C1CCCC1 ZINC000821807546 648112166 /nfs/dbraw/zinc/11/21/66/648112166.db2.gz VOUKUSSBSGSAOI-SWLSCSKDSA-N 0 3 318.417 2.162 20 10 DECDHN COc1ccc(N2CCN(C[C@H](OC)C3CC3)CC2)cc1F ZINC000822682020 648260358 /nfs/dbraw/zinc/26/03/58/648260358.db2.gz SXEFMKQFSVVPBV-KRWDZBQOSA-N 0 3 308.397 2.381 20 10 DECDHN Cc1cc([O-])c(C[N@@H+](CCO)C2CCN(C)CC2)cc1Cl ZINC000824473510 648594499 /nfs/dbraw/zinc/59/44/99/648594499.db2.gz BLGBMABLAXPDSL-UHFFFAOYSA-N 0 3 312.841 2.243 20 10 DECDHN Cc1cc([O-])c(C[N@H+](CCO)C2CCN(C)CC2)cc1Cl ZINC000824473510 648594506 /nfs/dbraw/zinc/59/45/06/648594506.db2.gz BLGBMABLAXPDSL-UHFFFAOYSA-N 0 3 312.841 2.243 20 10 DECDHN CCc1ncc(CNCc2ccc(N3CCN(C)CC3)cc2)o1 ZINC000825079091 648699282 /nfs/dbraw/zinc/69/92/82/648699282.db2.gz LHDOMUZDNLGQOS-UHFFFAOYSA-N 0 3 314.433 2.279 20 10 DECDHN CCCN(C(=O)NCc1ccc(N(C)C)cc1)[C@H]1CCN(C)C1 ZINC000825602688 648786903 /nfs/dbraw/zinc/78/69/03/648786903.db2.gz LWMPRTORNFVDGY-KRWDZBQOSA-N 0 3 318.465 2.378 20 10 DECDHN COc1cc(Br)cc(C[NH2+][C@H]2CO[C@H](C)C2)c1[O-] ZINC000842773610 648869314 /nfs/dbraw/zinc/86/93/14/648869314.db2.gz BYAIALLWIRBSAI-LDYMZIIASA-N 0 3 316.195 2.430 20 10 DECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000827681298 649067731 /nfs/dbraw/zinc/06/77/31/649067731.db2.gz ULJOMOQSKLKQCU-CYBMUJFWSA-N 0 3 306.406 2.137 20 10 DECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000827681298 649067732 /nfs/dbraw/zinc/06/77/32/649067732.db2.gz ULJOMOQSKLKQCU-CYBMUJFWSA-N 0 3 306.406 2.137 20 10 DECDHN COc1c([O-])c(C[N@H+](C)CCN2CCCCC2)ccc1[N+](=O)[O-] ZINC000846115436 651308785 /nfs/dbraw/zinc/30/87/85/651308785.db2.gz WJPLKUNCAAQLIK-UHFFFAOYSA-N 0 3 323.393 2.227 20 10 DECDHN COc1c([O-])c(C[N@@H+](C)CCN2CCCCC2)ccc1[N+](=O)[O-] ZINC000846115436 651308787 /nfs/dbraw/zinc/30/87/87/651308787.db2.gz WJPLKUNCAAQLIK-UHFFFAOYSA-N 0 3 323.393 2.227 20 10 DECDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c(nnn3C)C2)c2c1c(F)ccc2[O-] ZINC000848562274 651471196 /nfs/dbraw/zinc/47/11/96/651471196.db2.gz BXNWRVAOIRYLGG-NRUUGDAUSA-N 0 3 316.380 2.355 20 10 DECDHN CN(C)c1ccc(/C=C/CNC[C@@H]2CN(C3CC3)C(=O)O2)cc1 ZINC000848576259 651473663 /nfs/dbraw/zinc/47/36/63/651473663.db2.gz LFQLUIVTWHGVMA-REMYHPOOSA-N 0 3 315.417 2.339 20 10 DECDHN CCCNC(=O)CNCc1cc(OC)cc(C(C)(C)C)c1O ZINC000850009392 651801742 /nfs/dbraw/zinc/80/17/42/651801742.db2.gz ITZYFGUFUJMGFV-UHFFFAOYSA-N 0 3 308.422 2.314 20 10 DECDHN CCN(C)C(=O)CNCc1cc(OC)cc(C(C)(C)C)c1O ZINC000850251821 651877871 /nfs/dbraw/zinc/87/78/71/651877871.db2.gz GUHQBDNOPBUURT-UHFFFAOYSA-N 0 3 308.422 2.266 20 10 DECDHN C[C@@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1cc(F)ccc1[O-] ZINC000850486899 651937971 /nfs/dbraw/zinc/93/79/71/651937971.db2.gz WCFJZVQLVURRAO-LLVKDONJSA-N 0 3 315.410 2.397 20 10 DECDHN C[C@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1cc(F)ccc1[O-] ZINC000850497939 651939935 /nfs/dbraw/zinc/93/99/35/651939935.db2.gz XHDAJWYSQCNHRP-FHZGZLOMSA-N 0 3 313.316 2.493 20 10 DECDHN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccnn1C ZINC000850567623 651953861 /nfs/dbraw/zinc/95/38/61/651953861.db2.gz HPOASIGGQPKTMK-AWEZNQCLSA-N 0 3 314.433 2.232 20 10 DECDHN CCNC(=O)C(C)(C)CNCc1cc(F)c(N(C)C)cc1F ZINC000858152728 652266577 /nfs/dbraw/zinc/26/65/77/652266577.db2.gz ATPLRIMJNDQOIS-UHFFFAOYSA-N 0 3 313.392 2.283 20 10 DECDHN C[C@@H](CO[C@@H]1CCOC1)NCc1cc(F)c(N(C)C)cc1F ZINC000858149630 652267054 /nfs/dbraw/zinc/26/70/54/652267054.db2.gz QDESSMTVCNMASN-WCQYABFASA-N 0 3 314.376 2.314 20 10 DECDHN COc1ccc(CNC(=O)C[C@H]2NCc3ccccc32)c(O)c1 ZINC000852826126 652464479 /nfs/dbraw/zinc/46/44/79/652464479.db2.gz QFRAXXPWHGKIGP-MRXNPFEDSA-N 0 3 312.369 2.252 20 10 DECDHN [O-]c1ccc(Cl)cc1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000093817633 684051391 /nfs/dbraw/zinc/05/13/91/684051391.db2.gz YVMYPTDQAYTDQQ-ZDUSSCGKSA-N 0 3 310.825 2.200 20 10 DECDHN CC[C@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1ccccc1[O-] ZINC000121095136 684105335 /nfs/dbraw/zinc/10/53/35/684105335.db2.gz JJMLQWNHWKYDRC-INIZCTEOSA-N 0 3 314.385 2.497 20 10 DECDHN CCOC(=O)N[C@@H]1CCCN(Cc2cc(OC)c(C)cc2O)C1 ZINC000159854040 684322459 /nfs/dbraw/zinc/32/24/59/684322459.db2.gz KBQKKIIUWGAVBO-CQSZACIVSA-N 0 3 322.405 2.420 20 10 DECDHN CCOC(=O)N[C@H]1CCCN(Cc2cc(OC)c(C)cc2O)C1 ZINC000159854149 684322610 /nfs/dbraw/zinc/32/26/10/684322610.db2.gz KBQKKIIUWGAVBO-AWEZNQCLSA-N 0 3 322.405 2.420 20 10 DECDHN CN(C)c1cc(F)c(CNCC[C@H](O)C(F)(F)F)cc1F ZINC000862367658 686284031 /nfs/dbraw/zinc/28/40/31/686284031.db2.gz QIIYCTJCAPMCEW-LBPRGKRZSA-N 0 3 312.282 2.434 20 10 DECDHN C[C@@H](N[C@@H]1COC[C@@H]1O)c1ccc(N2CCCCCC2)cc1 ZINC000866418135 687566468 /nfs/dbraw/zinc/56/64/68/687566468.db2.gz FEHLFLHUPDFYAH-OLMNPRSZSA-N 0 3 304.434 2.477 20 10 DECDHN C[C@H]1C[C@@H]([NH2+]C2CN(c3ccncn3)C2)c2c1c(F)ccc2[O-] ZINC000866496757 687592139 /nfs/dbraw/zinc/59/21/39/687592139.db2.gz WYTMQFNTMFPASX-GXFFZTMASA-N 0 3 314.364 2.348 20 10 DECDHN Cc1ccc(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)c([O-])c1 ZINC000876742681 689924107 /nfs/dbraw/zinc/92/41/07/689924107.db2.gz RATDHYIIDDKMDK-QGZVFWFLSA-N 0 3 315.417 2.380 20 10 DECDHN Cc1cccc([O-])c1C[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000876771573 689932321 /nfs/dbraw/zinc/93/23/21/689932321.db2.gz ZOMSGOPDTPXSSU-UHFFFAOYSA-N 0 3 303.406 2.080 20 10 DECDHN Cc1ccc(C[N@@H+](C)CC(C)(C)CN2CCOCC2)c([O-])c1 ZINC000876778311 689935353 /nfs/dbraw/zinc/93/53/53/689935353.db2.gz BBXOQYUNRAMQCJ-UHFFFAOYSA-N 0 3 306.450 2.491 20 10 DECDHN Cc1ccc(C[N@H+](C)CC(C)(C)CN2CCOCC2)c([O-])c1 ZINC000876778311 689935355 /nfs/dbraw/zinc/93/53/55/689935355.db2.gz BBXOQYUNRAMQCJ-UHFFFAOYSA-N 0 3 306.450 2.491 20 10 DECDHN CCOc1ccc(O)c(CN2CCCC[C@@H]2CNC(C)=O)c1 ZINC000877675796 690186849 /nfs/dbraw/zinc/18/68/49/690186849.db2.gz UMGRQVXPUUFPCX-OAHLLOKOSA-N 0 3 306.406 2.282 20 10 DECDHN CN(C)c1ccc(CN2CCC(CCO)(CCO)CC2)cc1F ZINC000877692120 690192904 /nfs/dbraw/zinc/19/29/04/690192904.db2.gz SRZBNWQCNWPHBM-UHFFFAOYSA-N 0 3 324.440 2.239 20 10 DECDHN COc1cccc(O)c1CN1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000877694058 690194290 /nfs/dbraw/zinc/19/42/90/690194290.db2.gz YMFPGGRRJJHOGW-GXSJLCMTSA-N 0 3 305.296 2.003 20 10 DECDHN COc1ccc(N2CCN(C[C@H](OC)C3CC3)CC2)c(OC)c1 ZINC000877708200 690198663 /nfs/dbraw/zinc/19/86/63/690198663.db2.gz CYLQAWGPROHPGV-SFHVURJKSA-N 0 3 320.433 2.251 20 10 DECDHN COc1cccc(CNC(=O)C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000879652729 690699369 /nfs/dbraw/zinc/69/93/69/690699369.db2.gz HMSGGIIKDFUKNT-ZDUSSCGKSA-N 0 3 314.385 2.368 20 10 DECDHN CCOC(=O)[C@@H]1[C@@H]2CCN(Cc3ccc(N(C)C)cc3)C[C@@H]21 ZINC000932059428 694538574 /nfs/dbraw/zinc/53/85/74/694538574.db2.gz OOIPVLDEKSEURW-IXDOHACOSA-N 0 3 302.418 2.384 20 10 DECDHN CC[C@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1ccc(C)cc1[O-] ZINC000927147577 693561112 /nfs/dbraw/zinc/56/11/12/693561112.db2.gz SVCKAWVTDKZTKF-OCCSQVGLSA-N 0 3 300.406 2.427 20 10 DECDHN CC(=O)N1C[C@@H]2C[N@@H+](Cc3c([O-])ccc4ccccc43)C[C@@H]2C1 ZINC001353199301 1151816185 /nfs/dbraw/zinc/81/61/85/1151816185.db2.gz PMKMFQYXSVWCCC-IYBDPMFKSA-N 0 3 310.397 2.456 20 10 DECDHN CC(=O)N1C[C@@H]2C[N@H+](Cc3c([O-])ccc4ccccc43)C[C@@H]2C1 ZINC001353199301 1151816187 /nfs/dbraw/zinc/81/61/87/1151816187.db2.gz PMKMFQYXSVWCCC-IYBDPMFKSA-N 0 3 310.397 2.456 20 10 DECDHN Cc1cc(CN2CC[C@H](CO)[C@@H](O)C2)c(C)n1-c1ccccc1 ZINC001137854106 796146645 /nfs/dbraw/zinc/14/66/45/796146645.db2.gz INZPFXVXIMGYJY-APWZRJJASA-N 0 3 314.429 2.269 20 10 DECDHN Cc1cc(CN2CC[C@@H](CO)[C@@H](O)C2)c(C)n1-c1ccccc1 ZINC001137854107 796146656 /nfs/dbraw/zinc/14/66/56/796146656.db2.gz INZPFXVXIMGYJY-LPHOPBHVSA-N 0 3 314.429 2.269 20 10 DECDHN C[C@@]1(CO)CN(Cc2ccc(N3CCCCC3)cc2)CC[C@H]1O ZINC001138215753 796184215 /nfs/dbraw/zinc/18/42/15/796184215.db2.gz SEONFDXHZTUYQB-MOPGFXCFSA-N 0 3 318.461 2.242 20 10 DECDHN CCOC1CN(Cc2ccc(N3CCN(CC)CC3)cc2)C1 ZINC001140302086 796503813 /nfs/dbraw/zinc/50/38/13/796503813.db2.gz JNVTUHSMQFYHGN-UHFFFAOYSA-N 0 3 303.450 2.049 20 10 DECDHN C[C@@H]1CC[C@@H](O)CN1Cc1ccc(N2CCOCC2)cc1F ZINC001140659957 796551667 /nfs/dbraw/zinc/55/16/67/796551667.db2.gz AOAFTJZNVYQMTR-CZUORRHYSA-N 0 3 308.397 2.008 20 10 DECDHN Fc1cc(N2CCOCC2)ccc1CN1CCC2(CCO2)CC1 ZINC001140663410 796553071 /nfs/dbraw/zinc/55/30/71/796553071.db2.gz CSMTVRPWIYOVNZ-UHFFFAOYSA-N 0 3 320.408 2.417 20 10 DECDHN CCN(CC)c1ccc(CN2CCCC[C@H]2C(N)=O)c(O)c1 ZINC001140855039 796584077 /nfs/dbraw/zinc/58/40/77/796584077.db2.gz LLKODGYNQCOBML-HNNXBMFYSA-N 0 3 305.422 2.078 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CCCC[C@@](O)(CF)C2)c(OC)c1 ZINC001141031334 796621690 /nfs/dbraw/zinc/62/16/90/796621690.db2.gz DFIIYKSAMLPMFM-MRXNPFEDSA-N 0 3 313.369 2.096 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CCCC[C@@](O)(CF)C2)c(OC)c1 ZINC001141031334 796621692 /nfs/dbraw/zinc/62/16/92/796621692.db2.gz DFIIYKSAMLPMFM-MRXNPFEDSA-N 0 3 313.369 2.096 20 10 DECDHN Oc1ccc(O)c(CN2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)c1 ZINC001141155934 796641203 /nfs/dbraw/zinc/64/12/03/796641203.db2.gz AZOHPEAWDMCTHX-QWHCGFSZSA-N 0 3 323.286 2.325 20 10 DECDHN COc1ccc(CN2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)c(O)c1 ZINC001203630372 800094106 /nfs/dbraw/zinc/09/41/06/800094106.db2.gz RADMZTPFTHKEHY-LZLYRXPVSA-N 0 3 319.401 2.027 20 10 DECDHN COc1ccc(C[N@@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)c([O-])c1 ZINC001203630372 800094113 /nfs/dbraw/zinc/09/41/13/800094113.db2.gz RADMZTPFTHKEHY-LZLYRXPVSA-N 0 3 319.401 2.027 20 10 DECDHN COc1ccc(C[N@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)c([O-])c1 ZINC001203630372 800094124 /nfs/dbraw/zinc/09/41/24/800094124.db2.gz RADMZTPFTHKEHY-LZLYRXPVSA-N 0 3 319.401 2.027 20 10 DECDHN [NH3+][C@@H]1CN(Cc2cc(Br)ccc2[O-])CC(F)(F)C1 ZINC001206116684 800474935 /nfs/dbraw/zinc/47/49/35/800474935.db2.gz DQPSEPVQBLCUSB-JTQLQIEISA-N 0 3 321.165 2.323 20 10 DECDHN Cc1ccc(C)n1-c1ccc(CN2CCOC[C@@H](O)C2)cc1 ZINC001209516426 801206208 /nfs/dbraw/zinc/20/62/08/801206208.db2.gz GHBBFBQDFVYWEF-SFHVURJKSA-N 0 3 300.402 2.287 20 10 DECDHN OC[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232198123 801814917 /nfs/dbraw/zinc/81/49/17/801814917.db2.gz IRDKYOTVZVQCDB-OAHLLOKOSA-N 0 3 324.852 2.381 20 10 DECDHN COC(=O)c1c(CN2CCC[C@@H](O)CC2)c2ccccc2n1C ZINC001232402796 801871013 /nfs/dbraw/zinc/87/10/13/801871013.db2.gz PUTMUNUVGWCARS-CYBMUJFWSA-N 0 3 316.401 2.312 20 10 DECDHN CC(C)(C)c1ccc(O)c(CN2CCN3CCOC[C@@H]3C2)c1 ZINC001233284321 802064303 /nfs/dbraw/zinc/06/43/03/802064303.db2.gz QHAMRKRERGYAFO-INIZCTEOSA-N 0 3 304.434 2.206 20 10 DECDHN Oc1c(CN2CC[C@@H](F)[C@@H](O)C2)cccc1OC(F)(F)F ZINC001233727762 802191053 /nfs/dbraw/zinc/19/10/53/802191053.db2.gz PHDWTIBLGQBANL-ZJUUUORDSA-N 0 3 309.259 2.196 20 10 DECDHN COc1ccc2ccc(O)c(CN3C[C@@H](F)C[C@H]3CO)c2c1 ZINC001234526012 802403136 /nfs/dbraw/zinc/40/31/36/802403136.db2.gz OUFUKOFITBMAIB-STQMWFEESA-N 0 3 305.349 2.459 20 10 DECDHN C[C@@H](NCC(=O)N1CCOC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001334793341 1150342432 /nfs/dbraw/zinc/34/24/32/1150342432.db2.gz HDFPNGJFLJRNLF-CQSZACIVSA-N 0 3 319.449 2.041 20 10 DECDHN COC(=O)[C@@]1(C)C[N@H+](Cc2c(C)cc(OC)cc2[O-])C[C@@H]1C ZINC001462506279 1058837235 /nfs/dbraw/zinc/83/72/35/1058837235.db2.gz QBKSMANULLLMBD-SJCJKPOMSA-N 0 3 307.390 2.340 20 10 DECDHN COC(=O)[C@@]1(C)C[N@@H+](Cc2c(C)cc(OC)cc2[O-])C[C@@H]1C ZINC001462506279 1058837263 /nfs/dbraw/zinc/83/72/63/1058837263.db2.gz QBKSMANULLLMBD-SJCJKPOMSA-N 0 3 307.390 2.340 20 10 DECDHN O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccccc2[O-])N1CC(F)F ZINC001272618299 1079015226 /nfs/dbraw/zinc/01/52/26/1079015226.db2.gz FLIKOROBUFVFOG-CHWSQXEVSA-N 0 3 310.344 2.223 20 10 DECDHN O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccc2[O-])N1CC(F)F ZINC001272618299 1079015235 /nfs/dbraw/zinc/01/52/35/1079015235.db2.gz FLIKOROBUFVFOG-CHWSQXEVSA-N 0 3 310.344 2.223 20 10 DECDHN CN(C)c1ccc(CNCc2ccc(C(N)=O)cc2)cc1F ZINC001560246002 1075135006 /nfs/dbraw/zinc/13/50/06/1075135006.db2.gz BAWSQPQESONUEL-UHFFFAOYSA-N 0 3 301.365 2.280 20 10 DECDHN CN(C)c1ccc(/C=C\CNCc2ccc(C(N)=O)nc2)cc1 ZINC001560393234 1075138965 /nfs/dbraw/zinc/13/89/65/1075138965.db2.gz QFCDURXIOWMXIF-ARJAWSKDSA-N 0 3 310.401 2.050 20 10 DECDHN COCCOC[C@@H]1CC[N@@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001658808600 1080218772 /nfs/dbraw/zinc/21/87/72/1080218772.db2.gz YEDFFHHWKKNJDU-CQSZACIVSA-N 0 3 309.406 2.194 20 10 DECDHN COCCOC[C@@H]1CC[N@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001658808600 1080218763 /nfs/dbraw/zinc/21/87/63/1080218763.db2.gz YEDFFHHWKKNJDU-CQSZACIVSA-N 0 3 309.406 2.194 20 10 DECDHN COc1cc(C)c(C[NH2+][C@@H](CO)Cc2ccc(O)cc2)c([O-])c1 ZINC001659439568 1080241055 /nfs/dbraw/zinc/24/10/55/1080241055.db2.gz SFJFGPLGFKBOOG-CQSZACIVSA-N 0 3 317.385 2.108 20 10 DECDHN COc1cc(C)c(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c([O-])c1 ZINC001659762143 1080250882 /nfs/dbraw/zinc/25/08/82/1080250882.db2.gz AVPYJAUQZWVUFN-GJZGRUSLSA-N 0 3 320.433 2.004 20 10 DECDHN COc1cc(C)c(C[N@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c([O-])c1 ZINC001659762143 1080250886 /nfs/dbraw/zinc/25/08/86/1080250886.db2.gz AVPYJAUQZWVUFN-GJZGRUSLSA-N 0 3 320.433 2.004 20 10 DECDHN CCN1CCN(c2ccc(O[C@H]3C[C@H](C(=O)OC)C3)cc2)CC1 ZINC001234657434 1084188783 /nfs/dbraw/zinc/18/87/83/1084188783.db2.gz DBTWNVVRPOOPQZ-CZIWCDLHSA-N 0 3 318.417 2.159 20 10 DECDHN Cc1cc(CN2CC[C@H]3[NH2+]CC[C@H]32)c([O-])cc1Br ZINC001235088064 1084304855 /nfs/dbraw/zinc/30/48/55/1084304855.db2.gz LEVWVEKUNSMTFM-CHWSQXEVSA-N 0 3 311.223 2.399 20 10 DECDHN COC(=O)[C@H]1CN(Cc2ccc(C(C)(C)C)cc2O)CCCO1 ZINC001235681487 1084496029 /nfs/dbraw/zinc/49/60/29/1084496029.db2.gz MMILOOXYYRNZEB-MRXNPFEDSA-N 0 3 321.417 2.454 20 10 DECDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@]3(CCN(C)C3=O)C2)c1[O-] ZINC001274400150 1091225482 /nfs/dbraw/zinc/22/54/82/1091225482.db2.gz XOZNYPUUODMTQR-MRXNPFEDSA-N 0 3 308.809 2.408 20 10 DECDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@]3(CCN(C)C3=O)C2)c1[O-] ZINC001274400150 1091225492 /nfs/dbraw/zinc/22/54/92/1091225492.db2.gz XOZNYPUUODMTQR-MRXNPFEDSA-N 0 3 308.809 2.408 20 10 DECDHN CCc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC(=O)N3C)C2)c([O-])c1 ZINC001236786330 1138427473 /nfs/dbraw/zinc/42/74/73/1138427473.db2.gz AROHXSKEQWYSBQ-GDBMZVCRSA-N 0 3 302.418 2.397 20 10 DECDHN CCc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC(=O)N3C)C2)c([O-])c1 ZINC001236786330 1138427475 /nfs/dbraw/zinc/42/74/75/1138427475.db2.gz AROHXSKEQWYSBQ-GDBMZVCRSA-N 0 3 302.418 2.397 20 10 DECDHN CCc1ccc(C[NH+]2CCC(NC(=O)N(C)C)CC2)c([O-])c1 ZINC001236787181 1138428244 /nfs/dbraw/zinc/42/82/44/1138428244.db2.gz HGVHXTROQRMKDA-UHFFFAOYSA-N 0 3 305.422 2.190 20 10 DECDHN CC(C)c1ccc(CN2CCN([C@@H]3CCOC3)CC2)c(O)c1 ZINC001237046955 1138487523 /nfs/dbraw/zinc/48/75/23/1138487523.db2.gz XNQUBMJXZLAOCH-QGZVFWFLSA-N 0 3 304.434 2.422 20 10 DECDHN CCOc1ccc(C[N@@H+]2C[C@@H](C(=O)OC)C3(CC3)C2)c([O-])c1 ZINC001237048669 1138490199 /nfs/dbraw/zinc/49/01/99/1138490199.db2.gz VKDPZQDDOHETIP-AWEZNQCLSA-N 0 3 305.374 2.176 20 10 DECDHN CCOc1ccc(C[N@H+]2C[C@@H](C(=O)OC)C3(CC3)C2)c([O-])c1 ZINC001237048669 1138490204 /nfs/dbraw/zinc/49/02/04/1138490204.db2.gz VKDPZQDDOHETIP-AWEZNQCLSA-N 0 3 305.374 2.176 20 10 DECDHN CN(C)C1CN(Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237052997 1138491149 /nfs/dbraw/zinc/49/11/49/1138491149.db2.gz GPQRMUIZLZZMGZ-UHFFFAOYSA-N 0 3 304.312 2.079 20 10 DECDHN CC(=O)NC1CC[NH+](Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237120054 1138508394 /nfs/dbraw/zinc/50/83/94/1138508394.db2.gz IFGRHFSSHRHZCI-UHFFFAOYSA-N 0 3 300.761 2.285 20 10 DECDHN Cc1cc(Cl)cc(C[NH+]2CCC3(C[C@H](O)CO3)CC2)c1[O-] ZINC001237680461 1138755281 /nfs/dbraw/zinc/75/52/81/1138755281.db2.gz BOPLHNXPGSEHEO-AWEZNQCLSA-N 0 3 311.809 2.470 20 10 DECDHN Cc1cc(F)cc(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3C)C2)c1[O-] ZINC001238066179 1138819549 /nfs/dbraw/zinc/81/95/49/1138819549.db2.gz JEGNZMTUZBRAIQ-DOMZBBRYSA-N 0 3 306.381 2.282 20 10 DECDHN Cc1cc(F)cc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3C)C2)c1[O-] ZINC001238066179 1138819551 /nfs/dbraw/zinc/81/95/51/1138819551.db2.gz JEGNZMTUZBRAIQ-DOMZBBRYSA-N 0 3 306.381 2.282 20 10 DECDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c([O-])c1 ZINC001249185209 1141857772 /nfs/dbraw/zinc/85/77/72/1141857772.db2.gz JGMXIXKPBMKKPV-YLQAJVPDSA-N 0 3 319.401 2.107 20 10 DECDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c([O-])c1 ZINC001249185209 1141857777 /nfs/dbraw/zinc/85/77/77/1141857777.db2.gz JGMXIXKPBMKKPV-YLQAJVPDSA-N 0 3 319.401 2.107 20 10 DECDHN CN1CCN(c2ccc(CN3CC(C4CC4)C3)cc2F)CC1 ZINC001324270635 1142045503 /nfs/dbraw/zinc/04/55/03/1142045503.db2.gz VVCONVYBKAATFT-UHFFFAOYSA-N 0 3 303.425 2.419 20 10 DECDHN [O-]c1cccc2c1C[N@H+](C[C@H](O)COc1cccc(F)c1)CC2 ZINC001250805997 1142320347 /nfs/dbraw/zinc/32/03/47/1142320347.db2.gz LQPKTWHAULWXMH-HNNXBMFYSA-N 0 3 317.360 2.329 20 10 DECDHN [O-]c1cccc2c1C[N@@H+](C[C@H](O)COc1cccc(F)c1)CC2 ZINC001250805997 1142320352 /nfs/dbraw/zinc/32/03/52/1142320352.db2.gz LQPKTWHAULWXMH-HNNXBMFYSA-N 0 3 317.360 2.329 20 10 DECDHN CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(O)c1[O-])C2 ZINC001255194680 1143483379 /nfs/dbraw/zinc/48/33/79/1143483379.db2.gz MZGCCDOUYDRQKH-BTTYYORXSA-N 0 3 320.389 2.339 20 10 DECDHN CCOc1ccc(N2CCN(CCc3cncn3C)CC2)cc1 ZINC001325501845 1147929007 /nfs/dbraw/zinc/92/90/07/1147929007.db2.gz LCVHSRAIBNEYSI-UHFFFAOYSA-N 0 3 314.433 2.184 20 10 DECDHN CCOCCO[C@H]1CCN(Cc2cc(OCC)ccc2O)C1 ZINC000092067557 193153035 /nfs/dbraw/zinc/15/30/35/193153035.db2.gz RUWGMSMVBIAZMG-INIZCTEOSA-N 0 3 309.406 2.418 20 10 DECDHN CCOCCO[C@H]1CC[N@H+](Cc2cc(OCC)ccc2[O-])C1 ZINC000092067557 193153037 /nfs/dbraw/zinc/15/30/37/193153037.db2.gz RUWGMSMVBIAZMG-INIZCTEOSA-N 0 3 309.406 2.418 20 10 DECDHN CCOCCO[C@H]1CC[N@@H+](Cc2cc(OCC)ccc2[O-])C1 ZINC000092067557 193153038 /nfs/dbraw/zinc/15/30/38/193153038.db2.gz RUWGMSMVBIAZMG-INIZCTEOSA-N 0 3 309.406 2.418 20 10 DECDHN CN(C)c1ccc(CNC(=O)N2CCC[C@H](N(C)C)C2)cc1F ZINC000105205972 194084982 /nfs/dbraw/zinc/08/49/82/194084982.db2.gz QWPLSBDSKDYHED-AWEZNQCLSA-N 0 3 322.428 2.127 20 10 DECDHN O=c1cc2c(n[nH]1)CCN(Cc1ccc(N3CCCCC3)cc1)C2 ZINC000274849255 130266660 /nfs/dbraw/zinc/26/66/60/130266660.db2.gz AWJWNZQMSSRVPE-UHFFFAOYSA-N 0 3 324.428 2.319 20 10 DECDHN Cc1cccc(C[NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)c1[O-] ZINC000275566049 130337440 /nfs/dbraw/zinc/33/74/40/130337440.db2.gz ODMZUMDYYIMJFN-DOTOQJQBSA-N 0 3 301.390 2.444 20 10 DECDHN CCN(CC)c1ccc(CNC[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000037982468 401918849 /nfs/dbraw/zinc/91/88/49/401918849.db2.gz IWEBSCKWDMPGRY-HNNXBMFYSA-N 0 3 310.463 2.057 20 10 DECDHN CCCOc1ccc(CN2CCC[C@@H]2C(=O)NC2CC2)c(O)c1 ZINC000121492451 402039618 /nfs/dbraw/zinc/03/96/18/402039618.db2.gz LLYAYQCSRRDSNJ-MRXNPFEDSA-N 0 3 318.417 2.424 20 10 DECDHN COc1ccc([O-])c([C@H](C)[NH2+]CCN2CCOCC2(C)C)c1 ZINC000185333761 402344578 /nfs/dbraw/zinc/34/45/78/402344578.db2.gz GISMNJLDANBDIY-ZDUSSCGKSA-N 0 3 308.422 2.162 20 10 DECDHN CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000185345138 402345723 /nfs/dbraw/zinc/34/57/23/402345723.db2.gz BWASJZQMCQFWHE-HUUCEWRRSA-N 0 3 323.456 2.456 20 10 DECDHN C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])CN1CCN(C)CC1 ZINC000185344702 402345754 /nfs/dbraw/zinc/34/57/54/402345754.db2.gz GTAOTNRQNOZVBM-KGLIPLIRSA-N 0 3 309.429 2.065 20 10 DECDHN C[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1cc(F)ccc1[O-] ZINC000186028254 402397545 /nfs/dbraw/zinc/39/75/45/402397545.db2.gz XLFLZABFZRHPQD-SNVBAGLBSA-N 0 3 303.399 2.395 20 10 DECDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H](c3nc(C)no3)C2)c1 ZINC000179755712 402599678 /nfs/dbraw/zinc/59/96/78/402599678.db2.gz YNMASQIROPXHKJ-GFCCVEGCSA-N 0 3 303.362 2.472 20 10 DECDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H](c3nc(C)no3)C2)c1 ZINC000179755712 402599680 /nfs/dbraw/zinc/59/96/80/402599680.db2.gz YNMASQIROPXHKJ-GFCCVEGCSA-N 0 3 303.362 2.472 20 10 DECDHN Cc1c(/C=C\C(=O)N(CCN(C)C)c2ccccc2)cnn1C ZINC000255148507 402680275 /nfs/dbraw/zinc/68/02/75/402680275.db2.gz MIDJKXALBZEATG-KHPPLWFESA-N 0 3 312.417 2.337 20 10 DECDHN COc1c([O-])c(CN2CCC[C@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000278390089 402863728 /nfs/dbraw/zinc/86/37/28/402863728.db2.gz MRJXVUAQUVAFFA-ZDUSSCGKSA-N 0 3 323.393 2.225 20 10 DECDHN Cc1cccc(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)c1[O-] ZINC000271901322 402885482 /nfs/dbraw/zinc/88/54/82/402885482.db2.gz ZHISNTYNYZZIDB-KRWDZBQOSA-N 0 3 315.417 2.380 20 10 DECDHN COc1ccc(O)c(CN2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1 ZINC000280619465 403019717 /nfs/dbraw/zinc/01/97/17/403019717.db2.gz ZPGIVZFHGKTBGP-OGHNNQOOSA-N 0 3 307.390 2.169 20 10 DECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)=O)C2)c1 ZINC000280972444 403055905 /nfs/dbraw/zinc/05/59/05/403055905.db2.gz LKTWJYROWQMOCZ-OCCSQVGLSA-N 0 3 306.406 2.310 20 10 DECDHN CC[C@H](COC)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000268803267 403115636 /nfs/dbraw/zinc/11/56/36/403115636.db2.gz BQOZJAFTVKNIHV-CQSZACIVSA-N 0 3 310.413 2.301 20 10 DECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282968908 403164213 /nfs/dbraw/zinc/16/42/13/403164213.db2.gz IJOLIASOYCXKAD-BLLLJJGKSA-N 0 3 309.381 2.189 20 10 DECDHN Cc1ccc([O-])c(C[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)c1 ZINC000269911211 403175419 /nfs/dbraw/zinc/17/54/19/403175419.db2.gz IHHBXTXYVRZLEQ-SJLPKXTDSA-N 0 3 301.386 2.275 20 10 DECDHN COc1cccc(C[NH+]2CCC(C3(C)OCCO3)CC2)c1[O-] ZINC000271149298 403269142 /nfs/dbraw/zinc/26/91/42/403269142.db2.gz AKZACJSAFFHIRI-UHFFFAOYSA-N 0 3 307.390 2.376 20 10 DECDHN COCCOC[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000271172702 403273092 /nfs/dbraw/zinc/27/30/92/403273092.db2.gz FZSUGYJAKGKOTN-HNNXBMFYSA-N 0 3 310.413 2.377 20 10 DECDHN CCNC(=O)[C@@H](NCc1ccc(OC)c(COCC)c1)C(C)C ZINC000292969900 403384532 /nfs/dbraw/zinc/38/45/32/403384532.db2.gz MGDTXSJPKWUJOA-KRWDZBQOSA-N 0 3 322.449 2.482 20 10 DECDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H](C)N2CCN(C)CC2)c([O-])c1 ZINC000293635020 403524352 /nfs/dbraw/zinc/52/43/52/403524352.db2.gz HTIOVIKEDSEXCT-HOTGVXAUSA-N 0 3 305.466 2.296 20 10 DECDHN COc1cc([O-])c(C[NH2+]C[C@]2(O)CCCC2(C)C)cc1OC ZINC000293635219 403524400 /nfs/dbraw/zinc/52/44/00/403524400.db2.gz LROYFARAPQYTTA-QGZVFWFLSA-N 0 3 309.406 2.440 20 10 DECDHN O[C@@H](CNCc1ccc2c(c1)CCO2)Cc1cccc(F)c1 ZINC000295046826 403741702 /nfs/dbraw/zinc/74/17/02/403741702.db2.gz FHONTNAOSPFOLB-QGZVFWFLSA-N 0 3 301.361 2.454 20 10 DECDHN C[C@@H]1CN(CCC[NH2+][C@H]2CCc3cccc([O-])c32)C[C@H](C)O1 ZINC000296164558 404124876 /nfs/dbraw/zinc/12/48/76/404124876.db2.gz XKJMEBRMVJWYEF-LZWOXQAQSA-N 0 3 304.434 2.468 20 10 DECDHN COc1cc([O-])c(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)cc1OC ZINC000290559457 404220456 /nfs/dbraw/zinc/22/04/56/404220456.db2.gz SGJRZQXVHYBHQO-JSGCOSHPSA-N 0 3 308.422 2.181 20 10 DECDHN COc1cc([O-])c(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)cc1OC ZINC000290559457 404220460 /nfs/dbraw/zinc/22/04/60/404220460.db2.gz SGJRZQXVHYBHQO-JSGCOSHPSA-N 0 3 308.422 2.181 20 10 DECDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000296617073 404311573 /nfs/dbraw/zinc/31/15/73/404311573.db2.gz WPOIMWVHOQMRSD-PRTUASRFSA-N 0 3 318.417 2.455 20 10 DECDHN C[C@@H]([NH2+]CCCN1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000184900032 287025294 /nfs/dbraw/zinc/02/52/94/287025294.db2.gz HLTNYCBXDCBZFX-CYBMUJFWSA-N 0 3 311.857 2.334 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1OC ZINC000371361181 227070285 /nfs/dbraw/zinc/07/02/85/227070285.db2.gz OCESQPOPFMSNNQ-STQMWFEESA-N 0 3 307.390 2.268 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1OC ZINC000371361181 227070289 /nfs/dbraw/zinc/07/02/89/227070289.db2.gz OCESQPOPFMSNNQ-STQMWFEESA-N 0 3 307.390 2.268 20 10 DECDHN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CN2CCC[C@H]2CO1 ZINC000377394610 227190186 /nfs/dbraw/zinc/19/01/86/227190186.db2.gz YDGLKRLAEBMTOG-QWRGUYRKSA-N 0 3 314.788 2.138 20 10 DECDHN [O-]c1ccc(Cl)c(F)c1CNC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000377394610 227190189 /nfs/dbraw/zinc/19/01/89/227190189.db2.gz YDGLKRLAEBMTOG-QWRGUYRKSA-N 0 3 314.788 2.138 20 10 DECDHN [O-]c1ccc(Cl)c(F)c1CNC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000377394610 227190194 /nfs/dbraw/zinc/19/01/94/227190194.db2.gz YDGLKRLAEBMTOG-QWRGUYRKSA-N 0 3 314.788 2.138 20 10 DECDHN CCOC(=O)[C@](C)(O)CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000274680464 276295083 /nfs/dbraw/zinc/29/50/83/276295083.db2.gz WUEATIFXZIDZLB-GOSISDBHSA-N 0 3 320.433 2.031 20 10 DECDHN CN1CCCc2cc(CNC(=O)[C@@H](CN)c3ccccc3)ccc21 ZINC000237128523 523861753 /nfs/dbraw/zinc/86/17/53/523861753.db2.gz CCTZWRAWYXLSCK-SFHVURJKSA-N 0 3 323.440 2.428 20 10 DECDHN Cc1cccc(CN2CCN(CC3CCOCC3)CC2)c1O ZINC000180227949 524399040 /nfs/dbraw/zinc/39/90/40/524399040.db2.gz DMTDCOXFHZREOL-UHFFFAOYSA-N 0 3 304.434 2.245 20 10 DECDHN Cc1cccc(CNCc2ccc(S(C)(=O)=O)cc2)c1O ZINC000158122738 524431789 /nfs/dbraw/zinc/43/17/89/524431789.db2.gz VTZNTASVGUWNLW-UHFFFAOYSA-N 0 3 305.399 2.394 20 10 DECDHN COc1ccc(O)c(CN2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000179925504 524748098 /nfs/dbraw/zinc/74/80/98/524748098.db2.gz UUOUYIRITITGHC-ZDUSSCGKSA-N 0 3 322.405 2.500 20 10 DECDHN O=C1[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCN1CC(F)(F)F ZINC000296781359 534831019 /nfs/dbraw/zinc/83/10/19/534831019.db2.gz KTONIFSEFFBROO-MNOVXSKESA-N 0 3 314.307 2.132 20 10 DECDHN Cc1cc(O)c(CN2CCN(CC(C)(C)O)[C@H](C)C2)cc1C ZINC000188968353 525313887 /nfs/dbraw/zinc/31/38/87/525313887.db2.gz PRUAGUNHCSHTGT-OAHLLOKOSA-N 0 3 306.450 2.286 20 10 DECDHN COc1cccc(CNCc2cccc3c2OCCO3)c1O ZINC000264967280 526027882 /nfs/dbraw/zinc/02/78/82/526027882.db2.gz PXWPCZGMTCBUOK-UHFFFAOYSA-N 0 3 301.342 2.462 20 10 DECDHN [O-]c1cccc(Cl)c1CN1CC[NH+](C2CCOCC2)CC1 ZINC000129773585 526363992 /nfs/dbraw/zinc/36/39/92/526363992.db2.gz QGQJCLDHXSNUBL-UHFFFAOYSA-N 0 3 310.825 2.342 20 10 DECDHN CN(C)c1ccc(/C=C/CN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1 ZINC000835051159 649871851 /nfs/dbraw/zinc/87/18/51/649871851.db2.gz WUXGBONFXLTATQ-SCHHVTGUSA-N 0 3 313.445 2.352 20 10 DECDHN CN(C)c1ccc(/C=C/CN2CC[C@@H](N3CCCC3=O)C2)cc1 ZINC000835050642 649871771 /nfs/dbraw/zinc/87/17/71/649871771.db2.gz RAJFJXXLYZWDMT-YWPBOTNQSA-N 0 3 313.445 2.463 20 10 DECDHN CC(C)OC[C@H](CO)N(C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835054834 649872877 /nfs/dbraw/zinc/87/28/77/649872877.db2.gz ZKAVQDVUWHYADZ-MJRGOJFPSA-N 0 3 306.450 2.484 20 10 DECDHN CN(C)c1ccc(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825879427 609266898 /nfs/dbraw/zinc/26/68/98/609266898.db2.gz NEDXYWOPKLQFIK-UHFFFAOYSA-N 0 3 308.389 2.223 20 10 DECDHN CN(C)c1ccc(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825879427 609266900 /nfs/dbraw/zinc/26/69/00/609266900.db2.gz NEDXYWOPKLQFIK-UHFFFAOYSA-N 0 3 308.389 2.223 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)CCC(C)(C)O)N(C)C)cc1 ZINC000891248433 623792299 /nfs/dbraw/zinc/79/22/99/623792299.db2.gz LNYBWAVAEJIYRO-INIZCTEOSA-N 0 3 321.465 2.023 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@]2(C)CCCO2)N(C)C)cc1 ZINC000891253491 623799793 /nfs/dbraw/zinc/79/97/93/623799793.db2.gz SRLTYINMCZZXII-SJLPKXTDSA-N 0 3 319.449 2.041 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)C[C@@H]2CCCO2)N(C)C)cc1 ZINC000891254972 623800465 /nfs/dbraw/zinc/80/04/65/623800465.db2.gz LJXQCICJVJJGKR-DLBZAZTESA-N 0 3 319.449 2.041 20 10 DECDHN c1ncn(-c2ccc(CNCc3ccc4c(c3)CCCO4)cn2)n1 ZINC000921531968 633618325 /nfs/dbraw/zinc/61/83/25/633618325.db2.gz FFQOEZYKGYDRNE-UHFFFAOYSA-N 0 3 321.384 2.277 20 10 DECDHN O=C(NCc1c([O-])cccc1F)NC1CC[NH+](C2CCC2)CC1 ZINC000922768385 636386643 /nfs/dbraw/zinc/38/66/43/636386643.db2.gz HIDNQJLJDLOLJN-UHFFFAOYSA-N 0 3 321.396 2.347 20 10 DECDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@@](O)(CO)C1 ZINC000839159679 637816942 /nfs/dbraw/zinc/81/69/42/637816942.db2.gz ONYCJXFDCLHLBG-IBGZPJMESA-N 0 3 313.397 2.378 20 10 DECDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000839159679 637816946 /nfs/dbraw/zinc/81/69/46/637816946.db2.gz ONYCJXFDCLHLBG-IBGZPJMESA-N 0 3 313.397 2.378 20 10 DECDHN C[C@@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)[C@H]1C ZINC000839499473 637897231 /nfs/dbraw/zinc/89/72/31/637897231.db2.gz VVPCZBNWJAPGRG-CABCVRRESA-N 0 3 303.450 2.489 20 10 DECDHN COc1ccc(CNCc2c(C3CC3)cnn2C)c(O)c1OC ZINC000895378856 637982053 /nfs/dbraw/zinc/98/20/53/637982053.db2.gz VFERROMVICIIGU-UHFFFAOYSA-N 0 3 317.389 2.310 20 10 DECDHN COc1ccc(CN(CCO)Cc2cc(OC)ccc2O)cc1 ZINC000895710635 638157271 /nfs/dbraw/zinc/15/72/71/638157271.db2.gz JWYMAHLDDZMOPX-UHFFFAOYSA-N 0 3 317.385 2.404 20 10 DECDHN CCOc1ccc(C[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)c([O-])c1 ZINC000840971315 650397894 /nfs/dbraw/zinc/39/78/94/650397894.db2.gz LMAGCMCJUHTUIU-OCCSQVGLSA-N 0 3 301.333 2.429 20 10 DECDHN COCC1(C2CC2)CN(Cc2ccc(OC)c(OC)c2O)C1 ZINC000895751840 638179968 /nfs/dbraw/zinc/17/99/68/638179968.db2.gz ZAOIQLLHWSSZGB-UHFFFAOYSA-N 0 3 307.390 2.268 20 10 DECDHN COC(=O)c1cnc(CC[NH2+]Cc2cc(F)ccc2[O-])s1 ZINC000896931464 639083888 /nfs/dbraw/zinc/08/38/88/639083888.db2.gz HLFLPIUOUYIYNJ-UHFFFAOYSA-N 0 3 310.350 2.107 20 10 DECDHN Cc1cc(C)c(O)c(CN2CCN(Cc3cnn(C)c3)CC2)c1 ZINC000754726619 639465240 /nfs/dbraw/zinc/46/52/40/639465240.db2.gz LYCYFJQCPUTXAA-UHFFFAOYSA-N 0 3 314.433 2.060 20 10 DECDHN CCOC(=O)N1CCCN(Cc2cc(C)cc(OC)c2O)CC1 ZINC000754729754 639466219 /nfs/dbraw/zinc/46/62/19/639466219.db2.gz FTFIIOYCJDEMQB-UHFFFAOYSA-N 0 3 322.405 2.373 20 10 DECDHN CN(C)C(=O)CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000788021095 639614771 /nfs/dbraw/zinc/61/47/71/639614771.db2.gz XQFPPQACGTUDHG-INIZCTEOSA-N 0 3 320.433 2.242 20 10 DECDHN CN(C)C(=O)CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000788021095 639614776 /nfs/dbraw/zinc/61/47/76/639614776.db2.gz XQFPPQACGTUDHG-INIZCTEOSA-N 0 3 320.433 2.242 20 10 DECDHN C[C@H](CN1CCOCC1)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756413093 639660028 /nfs/dbraw/zinc/66/00/28/639660028.db2.gz BQKPJHXICIQWHI-BZPMIXESSA-N 0 3 308.397 2.390 20 10 DECDHN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(-n2cnnn2)cc1 ZINC000765610666 640800510 /nfs/dbraw/zinc/80/05/10/640800510.db2.gz WUWFRVYYTVUMIR-CYBMUJFWSA-N 0 3 321.384 2.448 20 10 DECDHN C[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCC[NH2+]C1 ZINC000841034905 640884444 /nfs/dbraw/zinc/88/44/44/640884444.db2.gz XVSDZAVWCXWNAU-ZJUUUORDSA-N 0 3 313.785 2.432 20 10 DECDHN O=C(N1CCOCC1)C1([NH2+]Cc2ccccc2[O-])CCCCC1 ZINC000897892868 640966100 /nfs/dbraw/zinc/96/61/00/640966100.db2.gz DLUISNBAOCTFST-UHFFFAOYSA-N 0 3 318.417 2.044 20 10 DECDHN COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1cc(F)ccc1[O-] ZINC000897984994 640995506 /nfs/dbraw/zinc/99/55/06/640995506.db2.gz JARIFTWJZGSCKH-GFCCVEGCSA-N 0 3 319.336 2.139 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)c([O-])c1 ZINC000769379760 641229106 /nfs/dbraw/zinc/22/91/06/641229106.db2.gz LVTMHPLBICAPDD-OAHLLOKOSA-N 0 3 318.417 2.378 20 10 DECDHN CCOc1ccc(C[N@H+]2CCC[C@@H](N3CCCC3=O)C2)c([O-])c1 ZINC000769379760 641229111 /nfs/dbraw/zinc/22/91/11/641229111.db2.gz LVTMHPLBICAPDD-OAHLLOKOSA-N 0 3 318.417 2.378 20 10 DECDHN COc1ccc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)c([O-])c1 ZINC000769413593 641235953 /nfs/dbraw/zinc/23/59/53/641235953.db2.gz DIKVMLJDQXJQNF-CQSZACIVSA-N 0 3 307.390 2.219 20 10 DECDHN COc1cc(O)c(CN[C@H](CO)c2ccsc2)cc1OC ZINC000770667161 641405920 /nfs/dbraw/zinc/40/59/20/641405920.db2.gz DPADVIWOKAXRSU-GFCCVEGCSA-N 0 3 309.387 2.294 20 10 DECDHN CCC[C@H](O)[C@H](CO)NCc1ccc(N(CC)CC)c(F)c1 ZINC000842224650 650672976 /nfs/dbraw/zinc/67/29/76/650672976.db2.gz DNOXIPKNTDWDKA-RDJZCZTQSA-N 0 3 312.429 2.283 20 10 DECDHN CCOc1ccc(C[NH2+][C@]23CC(=O)N[C@H]2CCCC3)c([O-])c1 ZINC000898466748 641670236 /nfs/dbraw/zinc/67/02/36/641670236.db2.gz GOPXAHGCDYFNIT-DOTOQJQBSA-N 0 3 304.390 2.082 20 10 DECDHN C[C@H]1OCCN(Cc2ccc(N3CCN(C)CC3)cc2)[C@@H]1C ZINC000775701385 642081611 /nfs/dbraw/zinc/08/16/11/642081611.db2.gz UPANDSCHZYYWRM-HZPDHXFCSA-N 0 3 303.450 2.048 20 10 DECDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)CC(N)=O)c1[O-] ZINC000779030864 642457261 /nfs/dbraw/zinc/45/72/61/642457261.db2.gz XTWZFINIFKZDSD-DTWKUNHWSA-N 0 3 315.211 2.378 20 10 DECDHN CCOc1ccc(C[NH+]2CCC(CC(=O)N(C)C)CC2)c([O-])c1 ZINC000781526028 642762138 /nfs/dbraw/zinc/76/21/38/642762138.db2.gz AMCZXPMWVXPDLJ-UHFFFAOYSA-N 0 3 320.433 2.481 20 10 DECDHN [O-]c1cc2c(cc1C[NH+]1CCC([C@H]3CCCO3)CC1)[C@H](O)CO2 ZINC000783969117 643072933 /nfs/dbraw/zinc/07/29/33/643072933.db2.gz SZOVDDWHMOBTKE-IAGOWNOFSA-N 0 3 319.401 2.209 20 10 DECDHN Cc1ccc([C@@H](C)[NH2+]CC2(O)CCC3(CC2)OCCO3)c([O-])c1 ZINC000903373015 643331032 /nfs/dbraw/zinc/33/10/32/643331032.db2.gz QZMNXNFSTOKVPC-CQSZACIVSA-N 0 3 321.417 2.399 20 10 DECDHN C[C@H]1C[C@H]([NH2+]CCC2CS(=O)(=O)C2)c2c1c(F)ccc2[O-] ZINC000786943878 643431580 /nfs/dbraw/zinc/43/15/80/643431580.db2.gz BEKSXBDDBSPYBU-CABZTGNLSA-N 0 3 313.394 2.104 20 10 DECDHN CNC(=O)OC[C@@H]1CCCCN1Cc1ccc(N(C)C)cc1 ZINC000805826066 643445137 /nfs/dbraw/zinc/44/51/37/643445137.db2.gz OQKPWISIIVILKT-INIZCTEOSA-N 0 3 305.422 2.463 20 10 DECDHN CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cccc(O)c1[O-] ZINC000790619130 643873609 /nfs/dbraw/zinc/87/36/09/643873609.db2.gz RICLELONVUSWMX-UHFFFAOYSA-N 0 3 314.385 2.432 20 10 DECDHN C[NH+](C)CCc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000790639777 643876598 /nfs/dbraw/zinc/87/65/98/643876598.db2.gz IATWOWPAYPEQLR-UHFFFAOYSA-N 0 3 300.358 2.454 20 10 DECDHN C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)[C@H]2CCOC2)c2c1c(F)ccc2[O-] ZINC000795834420 644644746 /nfs/dbraw/zinc/64/47/46/644644746.db2.gz VAWCJUHCUJBRET-UHXUPSOCSA-N 0 3 309.381 2.314 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)OCCCF)N(C)C)cc1 ZINC000908459213 644866128 /nfs/dbraw/zinc/86/61/28/644866128.db2.gz BVLCYXVFLYQXKQ-HNNXBMFYSA-N 0 3 311.401 2.441 20 10 DECDHN C[C@@]12C[N@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000840114658 645987095 /nfs/dbraw/zinc/98/70/95/645987095.db2.gz HSACNEDFKUXTGA-QYCWAQLBSA-N 0 3 313.397 2.462 20 10 DECDHN C[C@@]12C[N@@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000840114658 645987099 /nfs/dbraw/zinc/98/70/99/645987099.db2.gz HSACNEDFKUXTGA-QYCWAQLBSA-N 0 3 313.397 2.462 20 10 DECDHN COc1cccc(CNCc2c(C)nc3sc(C)nn23)c1O ZINC000809739657 646272322 /nfs/dbraw/zinc/27/23/22/646272322.db2.gz ASBNKQHVHAFIBE-UHFFFAOYSA-N 0 3 318.402 2.412 20 10 DECDHN COc1cc(Cl)cc(CN(C)[C@@H](CO)COC(C)C)c1O ZINC000809768071 646281046 /nfs/dbraw/zinc/28/10/46/646281046.db2.gz BJIJZWMAAWAHLM-ZDUSSCGKSA-N 0 3 317.813 2.272 20 10 DECDHN COc1cc(Cl)cc(C[N@H+](C)[C@@H](CO)COC(C)C)c1[O-] ZINC000809768071 646281051 /nfs/dbraw/zinc/28/10/51/646281051.db2.gz BJIJZWMAAWAHLM-ZDUSSCGKSA-N 0 3 317.813 2.272 20 10 DECDHN COc1cc(Cl)cc(C[N@@H+](C)[C@@H](CO)COC(C)C)c1[O-] ZINC000809768071 646281055 /nfs/dbraw/zinc/28/10/55/646281055.db2.gz BJIJZWMAAWAHLM-ZDUSSCGKSA-N 0 3 317.813 2.272 20 10 DECDHN CN(C)C(=O)OC1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000815188980 646985381 /nfs/dbraw/zinc/98/53/81/646985381.db2.gz WVDIJJXJMYCXQW-UHFFFAOYSA-N 0 3 305.422 2.415 20 10 DECDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2(N)CCCCC2)c1 ZINC000817938857 647388102 /nfs/dbraw/zinc/38/81/02/647388102.db2.gz UOZHICWUJHKPMV-GFCCVEGCSA-N 0 3 306.406 2.491 20 10 DECDHN Cc1cc(C(=O)N[C@H]2CCCN(C)C2)c(C)n1-c1ccccn1 ZINC000918394410 648073526 /nfs/dbraw/zinc/07/35/26/648073526.db2.gz GYBLEAZGJBXYRN-HNNXBMFYSA-N 0 3 312.417 2.313 20 10 DECDHN CCN1CCC[C@H](NC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000918542134 648086636 /nfs/dbraw/zinc/08/66/36/648086636.db2.gz OMQSAHPNSJDZHJ-HNNXBMFYSA-N 0 3 304.438 2.036 20 10 DECDHN COCC(C)(C)N1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000822498251 648219365 /nfs/dbraw/zinc/21/93/65/648219365.db2.gz WVIXJJXQMWFRDZ-UHFFFAOYSA-N 0 3 323.456 2.434 20 10 DECDHN CN(C)c1ccc(CNCc2cccc(S(C)(=O)=O)c2)cc1 ZINC000823608504 648453676 /nfs/dbraw/zinc/45/36/76/648453676.db2.gz HPDPAUMIXHCRIZ-UHFFFAOYSA-N 0 3 318.442 2.446 20 10 DECDHN CCOc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c([O-])c1 ZINC000824655187 648630686 /nfs/dbraw/zinc/63/06/86/648630686.db2.gz UQICWWXTCICYJJ-UXLLHSPISA-N 0 3 321.417 2.153 20 10 DECDHN CCOc1ccc(C[N@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c([O-])c1 ZINC000824655187 648630689 /nfs/dbraw/zinc/63/06/89/648630689.db2.gz UQICWWXTCICYJJ-UXLLHSPISA-N 0 3 321.417 2.153 20 10 DECDHN C[N@@H+]1C[C@@H]2CCN(Cc3ccc(Br)cc3[O-])[C@@H]2C1 ZINC000825967132 648832059 /nfs/dbraw/zinc/83/20/59/648832059.db2.gz FHUAFARIBVTKSL-GXFFZTMASA-N 0 3 311.223 2.291 20 10 DECDHN C[N@H+]1C[C@@H]2CCN(Cc3ccc(Br)cc3[O-])[C@@H]2C1 ZINC000825967132 648832065 /nfs/dbraw/zinc/83/20/65/648832065.db2.gz FHUAFARIBVTKSL-GXFFZTMASA-N 0 3 311.223 2.291 20 10 DECDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c1[O-] ZINC000827133564 648978404 /nfs/dbraw/zinc/97/84/04/648978404.db2.gz UWCYIWOFIHTFDL-GWCFXTLKSA-N 0 3 324.808 2.155 20 10 DECDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c1[O-] ZINC000827133564 648978409 /nfs/dbraw/zinc/97/84/09/648978409.db2.gz UWCYIWOFIHTFDL-GWCFXTLKSA-N 0 3 324.808 2.155 20 10 DECDHN COc1cc(Cl)cc(C[N@H+](C)C2(CO)CCOCC2)c1[O-] ZINC000827908106 649104232 /nfs/dbraw/zinc/10/42/32/649104232.db2.gz KISBUUTZNRRYPK-UHFFFAOYSA-N 0 3 315.797 2.028 20 10 DECDHN COc1cc(Cl)cc(C[N@@H+](C)C2(CO)CCOCC2)c1[O-] ZINC000827908106 649104233 /nfs/dbraw/zinc/10/42/33/649104233.db2.gz KISBUUTZNRRYPK-UHFFFAOYSA-N 0 3 315.797 2.028 20 10 DECDHN COc1ccc(O)c([C@H](C)NC(=O)[C@H](N)Cc2ccccc2)c1 ZINC000828666555 649207968 /nfs/dbraw/zinc/20/79/68/649207968.db2.gz GCUGICKLXFJYQZ-BLLLJJGKSA-N 0 3 314.385 2.148 20 10 DECDHN CCN(C)c1ccc(CN2CC[C@H](OC(=O)N(C)C)C2)cc1 ZINC000830509289 649454441 /nfs/dbraw/zinc/45/44/41/649454441.db2.gz GNULLLGWZBYFHJ-INIZCTEOSA-N 0 3 305.422 2.415 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]CC[C@@]2(O)CCCOC2)c1[O-] ZINC000846108114 651308088 /nfs/dbraw/zinc/30/80/88/651308088.db2.gz NYRNQRRCURRZQW-HNNXBMFYSA-N 0 3 315.797 2.075 20 10 DECDHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC000848226682 651445369 /nfs/dbraw/zinc/44/53/69/651445369.db2.gz URTVIWWLCWPDFQ-HOCLYGCPSA-N 0 3 317.477 2.450 20 10 DECDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)CO)c1[O-] ZINC000848523711 651467061 /nfs/dbraw/zinc/46/70/61/651467061.db2.gz LFGDYHCWBSHLDX-SFYZADRCSA-N 0 3 304.184 2.195 20 10 DECDHN CC[C@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1ccc(C)cc1[O-] ZINC000848562525 651470966 /nfs/dbraw/zinc/47/09/66/651470966.db2.gz FAZSVEGFQLWEQS-JSGCOSHPSA-N 0 3 300.406 2.427 20 10 DECDHN COC(=O)Cc1ccccc1C[NH2+]Cc1c([O-])cccc1OC ZINC000848578744 651474730 /nfs/dbraw/zinc/47/47/30/651474730.db2.gz JBSJKXVLIUBEHS-UHFFFAOYSA-N 0 3 315.369 2.406 20 10 DECDHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1cc(F)c(N(C)C)cc1F ZINC000858154717 652267787 /nfs/dbraw/zinc/26/77/87/652267787.db2.gz PMAXJWMXRPXNFO-RISCZKNCSA-N 0 3 311.376 2.035 20 10 DECDHN CCO[C@H]1COCC[C@@H]1NCc1cc(F)c(N(C)C)cc1F ZINC000858157563 652268460 /nfs/dbraw/zinc/26/84/60/652268460.db2.gz ZUALDYRHISILGB-HOCLYGCPSA-N 0 3 314.376 2.314 20 10 DECDHN COc1cc(CN[C@H](C)C(=O)N(C)OC)c(O)c(C(C)(C)C)c1 ZINC000858323952 652306084 /nfs/dbraw/zinc/30/60/84/652306084.db2.gz POGWNOLUMOTMFG-LLVKDONJSA-N 0 3 324.421 2.196 20 10 DECDHN Cc1noc([C@@H]2OCC[C@@H]2[NH2+][C@@H]2CCc3cccc([O-])c32)n1 ZINC000858589956 685563743 /nfs/dbraw/zinc/56/37/43/685563743.db2.gz DSEBYLHXZNVYDR-TYNCELHUSA-N 0 3 301.346 2.191 20 10 DECDHN CON1CCC(N(C)Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862388859 686289414 /nfs/dbraw/zinc/28/94/14/686289414.db2.gz LLPNLAKBQSNXCF-UHFFFAOYSA-N 0 3 313.392 2.488 20 10 DECDHN COC(=O)/C=C(/C)CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000929971239 694061492 /nfs/dbraw/zinc/06/14/92/694061492.db2.gz NXAQZRDITBNDIJ-SCOADAFUSA-N 0 3 319.401 2.493 20 10 DECDHN Cc1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c([O-])c1 ZINC000877505791 690133998 /nfs/dbraw/zinc/13/39/98/690133998.db2.gz ZAFZIXAADAMBSV-RDJZCZTQSA-N 0 3 305.418 2.358 20 10 DECDHN Cc1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)c([O-])c1 ZINC000877556966 690151540 /nfs/dbraw/zinc/15/15/40/690151540.db2.gz LOJPWCMIFKDXEV-CQSZACIVSA-N 0 3 317.410 2.361 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCCC[C@H]2CNC(C)=O)c([O-])c1 ZINC000877674568 690186354 /nfs/dbraw/zinc/18/63/54/690186354.db2.gz MLCGLMAQZGEDLW-HNNXBMFYSA-N 0 3 306.406 2.282 20 10 DECDHN CCOc1ccc(C[N@H+]2CCCC[C@H]2CNC(C)=O)c([O-])c1 ZINC000877674568 690186355 /nfs/dbraw/zinc/18/63/55/690186355.db2.gz MLCGLMAQZGEDLW-HNNXBMFYSA-N 0 3 306.406 2.282 20 10 DECDHN CCOC(=O)[C@@]1(C[NH2+]Cc2c(C)cccc2[O-])CCCOC1 ZINC000877699010 690195771 /nfs/dbraw/zinc/19/57/71/690195771.db2.gz UQRXIXHIQYBDSI-QGZVFWFLSA-N 0 3 307.390 2.150 20 10 DECDHN CC[C@H](N)c1cn(Cc2cc(Cl)cc(C(C)=O)c2O)nn1 ZINC000881000016 691011470 /nfs/dbraw/zinc/01/14/70/691011470.db2.gz YGCDPUBOYICCHE-LBPRGKRZSA-N 0 3 308.769 2.298 20 10 DECDHN COC(=O)c1cc(CNCc2c(O)cccc2OC)n(C)c1C ZINC000883344546 691485045 /nfs/dbraw/zinc/48/50/45/691485045.db2.gz CPNIFQIFTYCDFH-UHFFFAOYSA-N 0 3 318.373 2.124 20 10 DECDHN C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)c2c1c(F)ccc2[O-] ZINC000883374658 691492262 /nfs/dbraw/zinc/49/22/62/691492262.db2.gz KURDTOAYGIDGKA-BFLSOPEQSA-N 0 3 313.394 2.245 20 10 DECDHN COc1cccc([O-])c1C[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000886238814 692033807 /nfs/dbraw/zinc/03/38/07/692033807.db2.gz JDPKXWJBNMENCZ-CQSZACIVSA-N 0 3 305.349 2.233 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)NC2(C)CC2)N(C)C)cc1 ZINC001355381823 1152007670 /nfs/dbraw/zinc/00/76/70/1152007670.db2.gz YWQWGZYWOUZPLO-OAHLLOKOSA-N 0 3 304.438 2.207 20 10 DECDHN COc1cc([O-])c(CN2CC[C@@](C)([NH3+])C2)c(Br)c1 ZINC001204801789 779984556 /nfs/dbraw/zinc/98/45/56/779984556.db2.gz UXXIGLCVUHNTAH-CYBMUJFWSA-N 0 3 315.211 2.086 20 10 DECDHN CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994341 784294480 /nfs/dbraw/zinc/29/44/80/784294480.db2.gz JFIDLQMQJUJLOK-CQSZACIVSA-N 0 3 317.393 2.405 20 10 DECDHN NC(=O)Cc1cccc(C(=O)c2ccccc2)c1Nc1ncc[nH]1 ZINC001176084415 794344364 /nfs/dbraw/zinc/34/43/64/794344364.db2.gz OYQUXDXVFMDMRH-UHFFFAOYSA-N 0 3 320.352 2.412 20 10 DECDHN COC(=O)C1CCN(Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138356004 796204193 /nfs/dbraw/zinc/20/41/93/796204193.db2.gz YNJPAQFGPAYSMY-UHFFFAOYSA-N 0 3 302.418 2.454 20 10 DECDHN CC(=O)N[C@H]1CCCN(Cc2ccc3c(c2)CCCN3C)C1 ZINC001138357470 796204678 /nfs/dbraw/zinc/20/46/78/796204678.db2.gz FXOABDGAQZKBAN-KRWDZBQOSA-N 0 3 301.434 2.170 20 10 DECDHN CCCOC1CN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC001139408884 796373154 /nfs/dbraw/zinc/37/31/54/796373154.db2.gz GURUQTHCQITEEG-UHFFFAOYSA-N 0 3 303.450 2.049 20 10 DECDHN CCN1CCN(c2ccc(CN3CCCC(=O)CC3)cc2)CC1 ZINC001140302387 796503585 /nfs/dbraw/zinc/50/35/85/796503585.db2.gz QMOUPNAEGXLHCD-UHFFFAOYSA-N 0 3 315.461 2.384 20 10 DECDHN COC[C@@H]1CN(Cc2cc(C)ccc2O)Cc2cn(C)nc21 ZINC001140620777 796547090 /nfs/dbraw/zinc/54/70/90/796547090.db2.gz BEKDSQOUCXFANR-HNNXBMFYSA-N 0 3 301.390 2.180 20 10 DECDHN Fc1cc(N2CCOCC2)ccc1CN1CC[C@@]2(CCOC2)C1 ZINC001140659976 796551020 /nfs/dbraw/zinc/55/10/20/796551020.db2.gz BBNHIIOTCZJYSN-GOSISDBHSA-N 0 3 320.408 2.275 20 10 DECDHN C[C@]1(O)CCCN(Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140660040 796551366 /nfs/dbraw/zinc/55/13/66/796551366.db2.gz DAJSRDDYPANIQU-SFHVURJKSA-N 0 3 322.424 2.399 20 10 DECDHN COC1CCN(Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140662299 796552035 /nfs/dbraw/zinc/55/20/35/796552035.db2.gz NDKYNHSCMORTPF-UHFFFAOYSA-N 0 3 308.397 2.273 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c(OC)c1 ZINC001141031514 796621319 /nfs/dbraw/zinc/62/13/19/796621319.db2.gz HGUXVENYTSIDNK-BLLLJJGKSA-N 0 3 307.390 2.410 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c(OC)c1 ZINC001141031514 796621321 /nfs/dbraw/zinc/62/13/21/796621321.db2.gz HGUXVENYTSIDNK-BLLLJJGKSA-N 0 3 307.390 2.410 20 10 DECDHN CC(C)(C)C(=O)NC1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141162475 796643260 /nfs/dbraw/zinc/64/32/60/796643260.db2.gz SZPAYVLGKXZCFO-UHFFFAOYSA-N 0 3 306.406 2.225 20 10 DECDHN CN1CCN(C2CN(Cc3cccc(C(C)(C)C)c3O)C2)CC1 ZINC001143116486 796803562 /nfs/dbraw/zinc/80/35/62/796803562.db2.gz DLCROLIVEVWZLC-UHFFFAOYSA-N 0 3 317.477 2.121 20 10 DECDHN CCn1ncc2c1[C@@H](COC)CN(Cc1ccccc1O)C2 ZINC001203551680 800078728 /nfs/dbraw/zinc/07/87/28/800078728.db2.gz KJNVREDZZLEEKP-OAHLLOKOSA-N 0 3 301.390 2.354 20 10 DECDHN O=C(NC1CC1)[C@H]1C[C@H]2C[N@@H+](Cc3ccccc3[O-])C[C@H]2C1 ZINC001203552545 800079261 /nfs/dbraw/zinc/07/92/61/800079261.db2.gz NTPPTFKNWJKDGY-QKDCVEJESA-N 0 3 300.402 2.129 20 10 DECDHN O=C(NC1CC1)[C@H]1C[C@H]2C[N@H+](Cc3ccccc3[O-])C[C@H]2C1 ZINC001203552545 800079268 /nfs/dbraw/zinc/07/92/68/800079268.db2.gz NTPPTFKNWJKDGY-QKDCVEJESA-N 0 3 300.402 2.129 20 10 DECDHN COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCCN3C(C)=O)c([O-])c1 ZINC001203630812 800094424 /nfs/dbraw/zinc/09/44/24/800094424.db2.gz WLXPQBMIVPVYCB-GOSISDBHSA-N 0 3 318.417 2.378 20 10 DECDHN COc1ccc(C[N@H+]2CC[C@@]3(C2)CCCCN3C(C)=O)c([O-])c1 ZINC001203630812 800094432 /nfs/dbraw/zinc/09/44/32/800094432.db2.gz WLXPQBMIVPVYCB-GOSISDBHSA-N 0 3 318.417 2.378 20 10 DECDHN CC[C@@H]1N(Cc2ccc(O)c(O)c2)CCC[C@]12CCC(=O)N2C ZINC001203876806 800138712 /nfs/dbraw/zinc/13/87/12/800138712.db2.gz JKOMPETVMQZITK-WMZOPIPTSA-N 0 3 318.417 2.463 20 10 DECDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001204275015 800198320 /nfs/dbraw/zinc/19/83/20/800198320.db2.gz LNECEYQNGHBWJA-FUHWJXTLSA-N 0 3 319.401 2.258 20 10 DECDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001204275015 800198323 /nfs/dbraw/zinc/19/83/23/800198323.db2.gz LNECEYQNGHBWJA-FUHWJXTLSA-N 0 3 319.401 2.258 20 10 DECDHN Cc1cccnc1O[C@@H]1CC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204283002 800200483 /nfs/dbraw/zinc/20/04/83/800200483.db2.gz WDSIZZFQXKDGIV-OAHLLOKOSA-N 0 3 300.358 2.455 20 10 DECDHN Cc1cccnc1O[C@@H]1CC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204283002 800200490 /nfs/dbraw/zinc/20/04/90/800200490.db2.gz WDSIZZFQXKDGIV-OAHLLOKOSA-N 0 3 300.358 2.455 20 10 DECDHN CC(=O)N(C)[C@@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204328628 800205585 /nfs/dbraw/zinc/20/55/85/800205585.db2.gz KZIGRNQWWPUODB-GOSISDBHSA-N 0 3 301.434 2.339 20 10 DECDHN [NH3+]C[C@@H]1CN(Cc2cc(Cl)c([O-])cc2O)CCC1(F)F ZINC001205779061 800418625 /nfs/dbraw/zinc/41/86/25/800418625.db2.gz JAORHRZIHZYNGK-SECBINFHSA-N 0 3 306.740 2.167 20 10 DECDHN COC(=O)c1c(CN2CCC[C@@](C)(O)C2)c2ccccc2n1C ZINC001232408279 801871923 /nfs/dbraw/zinc/87/19/23/801871923.db2.gz YRLPFPSOBCOELL-GOSISDBHSA-N 0 3 316.401 2.312 20 10 DECDHN COC(=O)C1(O)CCN(Cc2cc(C(C)(C)C)ccc2O)CC1 ZINC001233286639 802065316 /nfs/dbraw/zinc/06/53/16/802065316.db2.gz CQCPTCGGEMYTOL-UHFFFAOYSA-N 0 3 321.417 2.190 20 10 DECDHN C[C@@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC[C@@H]1O ZINC001233726751 802190865 /nfs/dbraw/zinc/19/08/65/802190865.db2.gz HAWYEKKWOCQSKO-KOLCDFICSA-N 0 3 305.296 2.494 20 10 DECDHN C[C@@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC[C@@H]1O ZINC001233726751 802190869 /nfs/dbraw/zinc/19/08/69/802190869.db2.gz HAWYEKKWOCQSKO-KOLCDFICSA-N 0 3 305.296 2.494 20 10 DECDHN COC(=O)[C@@]1(OC)CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001335329733 1150397300 /nfs/dbraw/zinc/39/73/00/1150397300.db2.gz NSRLFMUYBUUGIL-GOSISDBHSA-N 0 3 318.417 2.051 20 10 DECDHN COc1cccc([C@@H](C)N[C@H](C)C(=O)NCC(F)(F)F)c1O ZINC001328725226 1148828905 /nfs/dbraw/zinc/82/89/05/1148828905.db2.gz ALCOHVHYIOOWIF-RKDXNWHRSA-N 0 3 320.311 2.118 20 10 DECDHN COC(=O)C(C)(C)CNCc1cc(F)c(N(C)C)cc1F ZINC001328923796 1148848326 /nfs/dbraw/zinc/84/83/26/1148848326.db2.gz UEVFRZREORJDPA-UHFFFAOYSA-N 0 3 300.349 2.320 20 10 DECDHN CC[C@H](F)CN[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001266996390 1078488076 /nfs/dbraw/zinc/48/80/76/1078488076.db2.gz OXYBUNKWYZISMJ-JQWIXIFHSA-N 0 3 323.372 2.305 20 10 DECDHN [O-]c1cccc(Br)c1CN1CC2(C1)CCCC[NH2+]2 ZINC001235921200 1084565501 /nfs/dbraw/zinc/56/55/01/1084565501.db2.gz FESMMNYSDKUBAX-UHFFFAOYSA-N 0 3 311.223 2.483 20 10 DECDHN COc1cc(C)c(CN2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c(O)c1 ZINC001652362098 1079873058 /nfs/dbraw/zinc/87/30/58/1079873058.db2.gz XOGRPVUHKIIMQW-SUNYJGFJSA-N 0 3 321.417 2.478 20 10 DECDHN C[C@@H]1C[C@@H]1N1C[C@@H](NCc2ccc3c(c2)CCCO3)CC1=O ZINC001657314639 1080170169 /nfs/dbraw/zinc/17/01/69/1080170169.db2.gz YBZPDSBRBVFTCK-KCXAZCMYSA-N 0 3 300.402 2.111 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CC[C@H](c3nccn3C)C2)c([O-])c1 ZINC001659130867 1080232393 /nfs/dbraw/zinc/23/23/93/1080232393.db2.gz NSAPVMLVEWOIJW-ZDUSSCGKSA-N 0 3 301.390 2.432 20 10 DECDHN COc1cc(C)c(C[N@H+]2CC[C@H](c3nccn3C)C2)c([O-])c1 ZINC001659130867 1080232399 /nfs/dbraw/zinc/23/23/99/1080232399.db2.gz NSAPVMLVEWOIJW-ZDUSSCGKSA-N 0 3 301.390 2.432 20 10 DECDHN CC(C)c1ccc(O)c(CN2CCN([C@@H]3CCOC3)CC2)c1 ZINC001665185384 1080998195 /nfs/dbraw/zinc/99/81/95/1080998195.db2.gz HJOFVQRGFIYPMV-QGZVFWFLSA-N 0 3 304.434 2.422 20 10 DECDHN CN(C)c1ccc(CN2CC3(C[C@@H]3C(N)=O)C2)c2ccccc21 ZINC001277174027 1083827964 /nfs/dbraw/zinc/82/79/64/1083827964.db2.gz RMCNURKHUPPFRU-MRXNPFEDSA-N 0 3 309.413 2.213 20 10 DECDHN CCN(C(=O)C12CC([NH2+]Cc3ccc(O)cc3[O-])(C1)C2)C(C)C ZINC001277190690 1083839565 /nfs/dbraw/zinc/83/95/65/1083839565.db2.gz PINOITWAYOKDGE-UHFFFAOYSA-N 0 3 318.417 2.367 20 10 DECDHN O=C([C@H]1CC12CN(Cc1ccccc1O)C2)N1CCCC12CC2 ZINC001277445463 1083973762 /nfs/dbraw/zinc/97/37/62/1083973762.db2.gz GSPFATNMPDGBFG-OAHLLOKOSA-N 0 3 312.413 2.369 20 10 DECDHN CC(C)(C)c1ccc(C[N@H+]2CCc3nncn3CC2)c([O-])c1 ZINC001235681809 1084496757 /nfs/dbraw/zinc/49/67/57/1084496757.db2.gz LBHYXRWOFJAOHD-UHFFFAOYSA-N 0 3 300.406 2.340 20 10 DECDHN CC(C)(C)c1ccc(C[N@@H+]2CCc3nncn3CC2)c([O-])c1 ZINC001235681809 1084496763 /nfs/dbraw/zinc/49/67/63/1084496763.db2.gz LBHYXRWOFJAOHD-UHFFFAOYSA-N 0 3 300.406 2.340 20 10 DECDHN C[N@@H+]1CC[C@]2(C1)CCCN(Cc1cc(C(=O)[O-])ccc1O)C2 ZINC001276055874 1091496692 /nfs/dbraw/zinc/49/66/92/1091496692.db2.gz PRZZIWWFHFQPAX-KRWDZBQOSA-N 0 3 304.390 2.008 20 10 DECDHN C[N@H+]1CC[C@]2(C1)CCCN(Cc1cc(C(=O)[O-])ccc1O)C2 ZINC001276055874 1091496697 /nfs/dbraw/zinc/49/66/97/1091496697.db2.gz PRZZIWWFHFQPAX-KRWDZBQOSA-N 0 3 304.390 2.008 20 10 DECDHN C[C@]1(CO)C[N@H+](Cc2cc3ccccc3cc2[O-])CC[C@H]1O ZINC001236825639 1138439456 /nfs/dbraw/zinc/43/94/56/1138439456.db2.gz AMXXCHVGWBTLTM-QZTJIDSGSA-N 0 3 301.386 2.111 20 10 DECDHN C[C@]1(CO)C[N@@H+](Cc2cc3ccccc3cc2[O-])CC[C@H]1O ZINC001236825639 1138439466 /nfs/dbraw/zinc/43/94/66/1138439466.db2.gz AMXXCHVGWBTLTM-QZTJIDSGSA-N 0 3 301.386 2.111 20 10 DECDHN C[C@]1(CO)CC[N@H+](Cc2cc3ccccc3cc2[O-])C[C@@H]1O ZINC001236827200 1138441051 /nfs/dbraw/zinc/44/10/51/1138441051.db2.gz RAQXSAAFYQHCHZ-ZWKOTPCHSA-N 0 3 301.386 2.111 20 10 DECDHN C[C@]1(CO)CC[N@@H+](Cc2cc3ccccc3cc2[O-])C[C@@H]1O ZINC001236827200 1138441053 /nfs/dbraw/zinc/44/10/53/1138441053.db2.gz RAQXSAAFYQHCHZ-ZWKOTPCHSA-N 0 3 301.386 2.111 20 10 DECDHN CSCCN(C)Cc1ccc(N2CCN(C)CC2)cc1F ZINC001236948132 1138463786 /nfs/dbraw/zinc/46/37/86/1138463786.db2.gz UYSXUPDQNRKTPS-UHFFFAOYSA-N 0 3 311.470 2.372 20 10 DECDHN CCOc1ccc(C[N@@H+]2C[C@@H](C)C[C@H](C(=O)OC)C2)c([O-])c1 ZINC001237041947 1138486656 /nfs/dbraw/zinc/48/66/56/1138486656.db2.gz AXRNNZKALDSVIG-JSGCOSHPSA-N 0 3 307.390 2.422 20 10 DECDHN CCOc1ccc(C[N@H+]2C[C@@H](C)C[C@H](C(=O)OC)C2)c([O-])c1 ZINC001237041947 1138486676 /nfs/dbraw/zinc/48/66/76/1138486676.db2.gz AXRNNZKALDSVIG-JSGCOSHPSA-N 0 3 307.390 2.422 20 10 DECDHN C[C@]1(O)CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237054036 1138491076 /nfs/dbraw/zinc/49/10/76/1138491076.db2.gz TZODMLCVBIEWKV-ZDUSSCGKSA-N 0 3 305.296 2.290 20 10 DECDHN C[C@]1(O)CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237054036 1138491080 /nfs/dbraw/zinc/49/10/80/1138491080.db2.gz TZODMLCVBIEWKV-ZDUSSCGKSA-N 0 3 305.296 2.290 20 10 DECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H]2CN(c3cccnc3)C(=O)[C@H]2C1 ZINC001237488973 1138655646 /nfs/dbraw/zinc/65/56/46/1138655646.db2.gz BASZOZYJEKRZQG-YOEHRIQHSA-N 0 3 323.396 2.190 20 10 DECDHN Cc1cccc([O-])c1C[N@H+]1C[C@H]2CN(c3cccnc3)C(=O)[C@H]2C1 ZINC001237488973 1138655648 /nfs/dbraw/zinc/65/56/48/1138655648.db2.gz BASZOZYJEKRZQG-YOEHRIQHSA-N 0 3 323.396 2.190 20 10 DECDHN Cc1cc(CNc2nc(N)nc(N)n2)c(C)n1-c1cccc(C)c1 ZINC001307184950 1139341950 /nfs/dbraw/zinc/34/19/50/1139341950.db2.gz KDNMERAFSZDRAU-UHFFFAOYSA-N 0 3 323.404 2.364 20 10 DECDHN CN(C)c1ccc(CN2CCC[C@H](C(=O)NC3CC3)C2)cc1F ZINC001319815319 1140737382 /nfs/dbraw/zinc/73/73/82/1140737382.db2.gz SBWRWZFBKKTRJK-AWEZNQCLSA-N 0 3 319.424 2.382 20 10 DECDHN CCCN1CCCC[C@@H]1C(=O)NCc1ccc(OC)cc1O ZINC001321100241 1141053064 /nfs/dbraw/zinc/05/30/64/1141053064.db2.gz KNEASSFMRYEFFF-OAHLLOKOSA-N 0 3 306.406 2.282 20 10 DECDHN CO[C@@H]1C[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C[C@@H]1OC ZINC001249223444 1141862597 /nfs/dbraw/zinc/86/25/97/1141862597.db2.gz GNHVAFRIORWFTD-IYBDPMFKSA-N 0 3 319.401 2.422 20 10 DECDHN CO[C@@H]1C[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C[C@@H]1OC ZINC001249223444 1141862598 /nfs/dbraw/zinc/86/25/98/1141862598.db2.gz GNHVAFRIORWFTD-IYBDPMFKSA-N 0 3 319.401 2.422 20 10 DECDHN CCOC(=O)CCCOc1ccc(C[NH+]2CC=CC2)c([O-])c1 ZINC001249725961 1142015328 /nfs/dbraw/zinc/01/53/28/1142015328.db2.gz UVWWVIBPOSBCCZ-UHFFFAOYSA-N 0 3 305.374 2.486 20 10 DECDHN CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2[O-])CC1=O ZINC001254227248 1143061360 /nfs/dbraw/zinc/06/13/60/1143061360.db2.gz CMXSUSZGHAUZHA-CYBMUJFWSA-N 0 3 320.389 2.408 20 10 DECDHN CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(O)cc1[O-])C2 ZINC001255182576 1143474117 /nfs/dbraw/zinc/47/41/17/1143474117.db2.gz FZDXJIVXBQCMDU-ZSOGYDGISA-N 0 3 320.389 2.339 20 10 DECDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000093018006 193195257 /nfs/dbraw/zinc/19/52/57/193195257.db2.gz BCZVDSRCUKDRCR-MRXNPFEDSA-N 0 3 304.434 2.245 20 10 DECDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000093018006 193195259 /nfs/dbraw/zinc/19/52/59/193195259.db2.gz BCZVDSRCUKDRCR-MRXNPFEDSA-N 0 3 304.434 2.245 20 10 DECDHN CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cc(C)ccc1[O-])CC2 ZINC000093614177 193273649 /nfs/dbraw/zinc/27/36/49/193273649.db2.gz XNVYBQKWQBSTBW-DLBZAZTESA-N 0 3 305.418 2.453 20 10 DECDHN COC[C@@]1(C(=O)OC)CC[N@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000295018327 224382368 /nfs/dbraw/zinc/38/23/68/224382368.db2.gz KIAADBMRQJGDTH-QGZVFWFLSA-N 0 3 307.390 2.021 20 10 DECDHN COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000295018327 224382371 /nfs/dbraw/zinc/38/23/71/224382371.db2.gz KIAADBMRQJGDTH-QGZVFWFLSA-N 0 3 307.390 2.021 20 10 DECDHN COc1cccc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c1[O-] ZINC000371800342 533478008 /nfs/dbraw/zinc/47/80/08/533478008.db2.gz AUIDDWLXILMPCT-AWEZNQCLSA-N 0 3 321.417 2.418 20 10 DECDHN COc1cccc(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c1[O-] ZINC000371800343 533478304 /nfs/dbraw/zinc/47/83/04/533478304.db2.gz AUIDDWLXILMPCT-CQSZACIVSA-N 0 3 321.417 2.418 20 10 DECDHN COc1cccc(CN2CCC[C@@H](OC(=O)N(C)C)C2)c1O ZINC000294697169 533478414 /nfs/dbraw/zinc/47/84/14/533478414.db2.gz CTWWFESGBIBNRM-CYBMUJFWSA-N 0 3 308.378 2.063 20 10 DECDHN C[C@@H](NC(=O)N(C)Cc1ccccc1O)C1=CCN(C)CC1 ZINC000272744250 130059773 /nfs/dbraw/zinc/05/97/73/130059773.db2.gz DERAKTBMEGWZRB-CYBMUJFWSA-N 0 3 303.406 2.184 20 10 DECDHN COc1cccc(C[NH2+]C[C@H](O)CCc2ccccc2)c1[O-] ZINC000273174756 130094734 /nfs/dbraw/zinc/09/47/34/130094734.db2.gz WTJYYWLZXZYPBE-MRXNPFEDSA-N 0 3 301.386 2.484 20 10 DECDHN C[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1cc2c(cc1[O-])CCCC2 ZINC000273550464 130135447 /nfs/dbraw/zinc/13/54/47/130135447.db2.gz FVURMRDBVTUVGF-SGTLLEGYSA-N 0 3 315.417 2.389 20 10 DECDHN COCCOCCOCCC[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000274411440 130232922 /nfs/dbraw/zinc/23/29/22/130232922.db2.gz ONBOBVLLGUUSHN-UHFFFAOYSA-N 0 3 311.422 2.168 20 10 DECDHN Cc1cc(C)c([C@@H](C)[NH2+]CC2(OCCO)CCOCC2)c([O-])c1 ZINC000285407191 131165443 /nfs/dbraw/zinc/16/54/43/131165443.db2.gz XMQZZHGPAKSATD-OAHLLOKOSA-N 0 3 323.433 2.218 20 10 DECDHN COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cccc(OC)c2[O-])[C@@H]1C ZINC000289377922 131381180 /nfs/dbraw/zinc/38/11/80/131381180.db2.gz CALSCTQBRTZYGY-DYEKYZERSA-N 0 3 307.390 2.468 20 10 DECDHN CCN1CCN(CCC[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000113321469 401775853 /nfs/dbraw/zinc/77/58/53/401775853.db2.gz OTIYNZUNEGERRK-UHFFFAOYSA-N 0 3 311.857 2.163 20 10 DECDHN OC[C@@]1(NCc2cc3c(cc2O)OCO3)CCc2ccccc21 ZINC000135908911 401955145 /nfs/dbraw/zinc/95/51/45/401955145.db2.gz DHAIOVXPRGXDEU-SFHVURJKSA-N 0 3 313.353 2.045 20 10 DECDHN COc1ccc(CC[NH2+]Cc2cc3c(cc2[O-])OCO3)cc1 ZINC000063255899 402112272 /nfs/dbraw/zinc/11/22/72/402112272.db2.gz KXMHDFJQYAFICT-UHFFFAOYSA-N 0 3 301.342 2.462 20 10 DECDHN COc1cc(Cl)cc(CN2CCC3(CC2)OCCO3)c1O ZINC000184677561 402290822 /nfs/dbraw/zinc/29/08/22/402290822.db2.gz XFJOOIYWVIVEKV-UHFFFAOYSA-N 0 3 313.781 2.393 20 10 DECDHN CC[N@H+](CCC(=O)OC)Cc1cc(Cl)cc(OC)c1[O-] ZINC000184683052 402291654 /nfs/dbraw/zinc/29/16/54/402291654.db2.gz HKFMMIOXJKKKCA-UHFFFAOYSA-N 0 3 301.770 2.439 20 10 DECDHN CC[N@@H+](CCC(=O)OC)Cc1cc(Cl)cc(OC)c1[O-] ZINC000184683052 402291656 /nfs/dbraw/zinc/29/16/56/402291656.db2.gz HKFMMIOXJKKKCA-UHFFFAOYSA-N 0 3 301.770 2.439 20 10 DECDHN C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])CN1CCN(C)CC1 ZINC000185343824 402345462 /nfs/dbraw/zinc/34/54/62/402345462.db2.gz YJCKBEWUQORPNW-KGLIPLIRSA-N 0 3 309.429 2.065 20 10 DECDHN CN(C)CCOc1ccc(NC(=O)Cc2ccc(N)cc2)cc1 ZINC000237197306 402398727 /nfs/dbraw/zinc/39/87/27/402398727.db2.gz TUXQANWLQTZNHE-UHFFFAOYSA-N 0 3 313.401 2.390 20 10 DECDHN CC[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)N1CCOCC1 ZINC000165070871 402472318 /nfs/dbraw/zinc/47/23/18/402472318.db2.gz YGQDFCKKYATBSK-RHSMWYFYSA-N 0 3 319.449 2.041 20 10 DECDHN COc1ccc(O)c(CN2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000179669635 402597626 /nfs/dbraw/zinc/59/76/26/402597626.db2.gz UUOUYIRITITGHC-CYBMUJFWSA-N 0 3 322.405 2.500 20 10 DECDHN COc1cccc(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)c1[O-] ZINC000183247770 402750212 /nfs/dbraw/zinc/75/02/12/402750212.db2.gz UXUYGYDBSIJHSZ-AWEZNQCLSA-N 0 3 307.390 2.376 20 10 DECDHN COc1cccc(C[N@H+]2CCC[C@H](C3(C)OCCO3)C2)c1[O-] ZINC000183247770 402750214 /nfs/dbraw/zinc/75/02/14/402750214.db2.gz UXUYGYDBSIJHSZ-AWEZNQCLSA-N 0 3 307.390 2.376 20 10 DECDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CO[C@@H](C)COC ZINC000278053326 402851527 /nfs/dbraw/zinc/85/15/27/402851527.db2.gz IZVNEIBUQWXJIK-GOEBONIOSA-N 0 3 311.422 2.017 20 10 DECDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)CO[C@@H](C)COC ZINC000278053326 402851528 /nfs/dbraw/zinc/85/15/28/402851528.db2.gz IZVNEIBUQWXJIK-GOEBONIOSA-N 0 3 311.422 2.017 20 10 DECDHN CC[N@H+](C)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000278332496 402862862 /nfs/dbraw/zinc/86/28/62/402862862.db2.gz ZIYOWBOWGGOASO-GFCCVEGCSA-N 0 3 323.393 2.083 20 10 DECDHN CC[N@@H+](C)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000278332496 402862863 /nfs/dbraw/zinc/86/28/63/402862863.db2.gz ZIYOWBOWGGOASO-GFCCVEGCSA-N 0 3 323.393 2.083 20 10 DECDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCCN(c3ccnn3C)C2)c1 ZINC000278533217 402867581 /nfs/dbraw/zinc/86/75/81/402867581.db2.gz VLBDRVJUVGHMIT-OAHLLOKOSA-N 0 3 300.406 2.193 20 10 DECDHN Cn1nccc1N1CCC[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000278825403 402875503 /nfs/dbraw/zinc/87/55/03/402875503.db2.gz ZXPGXCMYKYALRJ-AWEZNQCLSA-N 0 3 304.369 2.023 20 10 DECDHN CN(C)c1ccc(CNCCn2cncn2)c(C(F)(F)F)c1 ZINC000280029000 402966595 /nfs/dbraw/zinc/96/65/95/402966595.db2.gz UMYOSCFOESEHKD-UHFFFAOYSA-N 0 3 313.327 2.153 20 10 DECDHN CCN(CC)c1ccc(CN2CC[C@@](C)(C(N)=O)C2)cc1F ZINC000280398341 402996305 /nfs/dbraw/zinc/99/63/05/402996305.db2.gz XOBTXTWPOZYILO-QGZVFWFLSA-N 0 3 307.413 2.369 20 10 DECDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])[C@@H]1OC ZINC000274944660 403097730 /nfs/dbraw/zinc/09/77/30/403097730.db2.gz RCDDPXCZXNSAOU-KYOSRNDESA-N 0 3 315.797 2.336 20 10 DECDHN CCN(C)c1ccc([C@@H](C)NC[C@@H]2CN(C)CCN2C)cc1 ZINC000268908222 403121383 /nfs/dbraw/zinc/12/13/83/403121383.db2.gz MJCZUCVQHVATSJ-CRAIPNDOSA-N 0 3 304.482 2.039 20 10 DECDHN COc1cc(O)c(CN[C@@H]2CCCc3nn(C)cc32)cc1OC ZINC000283006767 403164795 /nfs/dbraw/zinc/16/47/95/403164795.db2.gz LDPGZNSZJQNRJQ-CYBMUJFWSA-N 0 3 317.389 2.310 20 10 DECDHN CCN(Cc1ccccc1)c1ccc(CNC[C@H](O)CO)cc1 ZINC000276766100 403193476 /nfs/dbraw/zinc/19/34/76/403193476.db2.gz NTAAIAVTRBNOCO-IBGZPJMESA-N 0 3 314.429 2.156 20 10 DECDHN COc1cc([N+](=O)[O-])c(N2CC[C@@]3(CCN(C)C3)C2)cc1OC ZINC000292405491 403359959 /nfs/dbraw/zinc/35/99/59/403359959.db2.gz VHKGQPAZOZIFSU-MRXNPFEDSA-N 0 3 321.377 2.144 20 10 DECDHN CCOC[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)C(C)C ZINC000285703578 403360663 /nfs/dbraw/zinc/36/06/63/403360663.db2.gz CVDXPHDKYDHPCS-QGZVFWFLSA-N 0 3 321.465 2.020 20 10 DECDHN CCCOc1ccc(C[NH2+][C@H]2CCCN(CCCO)C2)c([O-])c1 ZINC000295110308 403762986 /nfs/dbraw/zinc/76/29/86/403762986.db2.gz LOELQEXFGUWKTI-INIZCTEOSA-N 0 3 322.449 2.117 20 10 DECDHN Cc1cccc(CN[C@@H]2CCCc3c2cnn3CCO)c1O ZINC000317382268 404035275 /nfs/dbraw/zinc/03/52/75/404035275.db2.gz VANZVEDZRPDZJX-OAHLLOKOSA-N 0 3 301.390 2.057 20 10 DECDHN Cc1cccc(C[NH2+][C@@H]2CCCc3c2cnn3CCO)c1[O-] ZINC000317382268 404035281 /nfs/dbraw/zinc/03/52/81/404035281.db2.gz VANZVEDZRPDZJX-OAHLLOKOSA-N 0 3 301.390 2.057 20 10 DECDHN CCOc1cccc(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1[O-] ZINC000290521665 404203626 /nfs/dbraw/zinc/20/36/26/404203626.db2.gz QAQFTNODWJVSCE-HNNXBMFYSA-N 0 3 318.417 2.235 20 10 DECDHN CCOc1cccc(C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1[O-] ZINC000290521665 404203636 /nfs/dbraw/zinc/20/36/36/404203636.db2.gz QAQFTNODWJVSCE-HNNXBMFYSA-N 0 3 318.417 2.235 20 10 DECDHN CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000296433184 404245650 /nfs/dbraw/zinc/24/56/50/404245650.db2.gz LZFRADXQRYXSOR-TZMCWYRMSA-N 0 3 314.451 2.069 20 10 DECDHN CN(C)c1ccc(CNC(=O)CC2CCN(C)CC2)cc1F ZINC000291626020 404452758 /nfs/dbraw/zinc/45/27/58/404452758.db2.gz ZQFWYRRRMBPSRE-UHFFFAOYSA-N 0 3 307.413 2.240 20 10 DECDHN [O-]c1cc2c(cc1C[NH2+]C[C@@]1(O)CCc3ccccc31)OCO2 ZINC000132223150 275060806 /nfs/dbraw/zinc/06/08/06/275060806.db2.gz LCASPYUWXCCJFS-SFHVURJKSA-N 0 3 313.353 2.045 20 10 DECDHN CCOC(=O)CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000173354540 276276894 /nfs/dbraw/zinc/27/68/94/276276894.db2.gz JMMVKADRKMBRLK-HNNXBMFYSA-N 0 3 307.390 2.326 20 10 DECDHN CCOC(=O)CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000173354540 276276896 /nfs/dbraw/zinc/27/68/96/276276896.db2.gz JMMVKADRKMBRLK-HNNXBMFYSA-N 0 3 307.390 2.326 20 10 DECDHN CCOc1cccc(CN2CCCN(C(=O)C(C)C)CC2)c1O ZINC000123558846 276379773 /nfs/dbraw/zinc/37/97/73/276379773.db2.gz CGPYEPWOMFJHHF-UHFFFAOYSA-N 0 3 320.433 2.481 20 10 DECDHN CC[C@H]([NH2+]C[C@@H](C)CN1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000286323380 288042899 /nfs/dbraw/zinc/04/28/99/288042899.db2.gz XQRXDSDKSRMYDR-PBHICJAKSA-N 0 3 323.456 2.456 20 10 DECDHN C[C@]1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CCO[C@H]1C1CC1 ZINC000368765339 534176634 /nfs/dbraw/zinc/17/66/34/534176634.db2.gz NTYNHWKVFAJKPS-DLBZAZTESA-N 0 3 305.374 2.416 20 10 DECDHN Cc1ccc([O-])c(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)c1 ZINC000369101269 534192955 /nfs/dbraw/zinc/19/29/55/534192955.db2.gz VTTJWMWENLGMHX-MRXNPFEDSA-N 0 3 301.390 2.369 20 10 DECDHN CN(C)c1ccc(CN[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000182232453 522212296 /nfs/dbraw/zinc/21/22/96/522212296.db2.gz YQYNKDYTNPMSST-HZPDHXFCSA-N 0 3 310.463 2.198 20 10 DECDHN C[C@H](NC[C@H]1COC2(CCOCC2)O1)c1ccc(N(C)C)cc1 ZINC000179987821 525422856 /nfs/dbraw/zinc/42/28/56/525422856.db2.gz ZHBOKDZAZVSMIW-YOEHRIQHSA-N 0 3 320.433 2.325 20 10 DECDHN Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c([O-])c1O ZINC000182257314 526100958 /nfs/dbraw/zinc/10/09/58/526100958.db2.gz HQSHIEHWFRAORL-CYBMUJFWSA-N 0 3 304.390 2.107 20 10 DECDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H](O)c1ccc(F)cc1)OCO2 ZINC000237958075 526336915 /nfs/dbraw/zinc/33/69/15/526336915.db2.gz YESLVUXIWXKFFD-CQSZACIVSA-N 0 3 305.305 2.083 20 10 DECDHN O=C(c1cccc(O)c1[O-])N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000187139287 526771276 /nfs/dbraw/zinc/77/12/76/526771276.db2.gz HHOFPIMDTQASFC-CYBMUJFWSA-N 0 3 304.390 2.046 20 10 DECDHN Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180276618 527468361 /nfs/dbraw/zinc/46/83/61/527468361.db2.gz ODLUAIZFHJZUOW-BLLLJJGKSA-N 0 3 319.380 2.210 20 10 DECDHN Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180276618 527468368 /nfs/dbraw/zinc/46/83/68/527468368.db2.gz ODLUAIZFHJZUOW-BLLLJJGKSA-N 0 3 319.380 2.210 20 10 DECDHN C[C@@H]1OCC[C@H]1N(C/C=C/c1ccc(N(C)C)cc1)CCO ZINC000835055683 649872997 /nfs/dbraw/zinc/87/29/97/649872997.db2.gz XLVKTDFAUPHBKP-PUBSZHEZSA-N 0 3 304.434 2.238 20 10 DECDHN CC(C)N1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000120565098 622935291 /nfs/dbraw/zinc/93/52/91/622935291.db2.gz CMKKEKIYIMYRDQ-UHFFFAOYSA-N 0 3 303.450 2.049 20 10 DECDHN Cc1cc(N)nc(N[C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000892025089 624749276 /nfs/dbraw/zinc/74/92/76/624749276.db2.gz LZSNETUYYCSJCO-CYBMUJFWSA-N 0 3 313.405 2.377 20 10 DECDHN COc1ccc(CN2CCN(C3CCC3)CC2)c(O)c1OC ZINC000892040230 624756249 /nfs/dbraw/zinc/75/62/49/624756249.db2.gz YVSQPOXDUPTUBI-UHFFFAOYSA-N 0 3 306.406 2.080 20 10 DECDHN O=S1(=O)CCCC[C@@H]1CNCc1ccc2c(c1)CCCO2 ZINC000921985014 635787726 /nfs/dbraw/zinc/78/77/26/635787726.db2.gz NEVQWPLOBCHOLP-OAHLLOKOSA-N 0 3 309.431 2.069 20 10 DECDHN CSCC[C@H](NCc1ccc2c(c1)CCCO2)C(=O)N(C)C ZINC000922131531 635885432 /nfs/dbraw/zinc/88/54/32/635885432.db2.gz NKPUZSWMBFGXLM-HNNXBMFYSA-N 0 3 322.474 2.311 20 10 DECDHN O=C1[C@@H](NCc2ccc3c(c2)CCCO3)C[C@@H]2CCCCN12 ZINC000922171900 635964601 /nfs/dbraw/zinc/96/46/01/635964601.db2.gz KWFDFSAFIGTZHX-HOTGVXAUSA-N 0 3 300.402 2.255 20 10 DECDHN COc1ccc(O)c([C@@H](C)NCc2c3c(nn2C)CCC3)c1 ZINC000922213996 636006837 /nfs/dbraw/zinc/00/68/37/636006837.db2.gz VJVJVWIKTSKHPI-LLVKDONJSA-N 0 3 301.390 2.474 20 10 DECDHN Cc1ccc(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)c([O-])c1 ZINC000895004169 637365169 /nfs/dbraw/zinc/36/51/69/637365169.db2.gz LNJPRCLNKQEPJB-SJORKVTESA-N 0 3 310.397 2.402 20 10 DECDHN Cc1ccc(C[N@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)c([O-])c1 ZINC000895004169 637365173 /nfs/dbraw/zinc/36/51/73/637365173.db2.gz LNJPRCLNKQEPJB-SJORKVTESA-N 0 3 310.397 2.402 20 10 DECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000895006238 637368426 /nfs/dbraw/zinc/36/84/26/637368426.db2.gz ZWZCTPWEESQQPH-SJORKVTESA-N 0 3 310.397 2.402 20 10 DECDHN Cc1cccc([O-])c1C[N@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000895006238 637368430 /nfs/dbraw/zinc/36/84/30/637368430.db2.gz ZWZCTPWEESQQPH-SJORKVTESA-N 0 3 310.397 2.402 20 10 DECDHN CS(=O)(=O)CC1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CCC1 ZINC000840889446 650371666 /nfs/dbraw/zinc/37/16/66/650371666.db2.gz GJYFZDWQQYYBSC-CYBMUJFWSA-N 0 3 309.431 2.184 20 10 DECDHN C[C@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)[C@H]1C ZINC000839499475 637897737 /nfs/dbraw/zinc/89/77/37/637897737.db2.gz VVPCZBNWJAPGRG-GJZGRUSLSA-N 0 3 303.450 2.489 20 10 DECDHN COC[C@](C)(CC(=O)OC)NCc1ccc(N(C)C)cc1C ZINC000840939419 650390181 /nfs/dbraw/zinc/39/01/81/650390181.db2.gz MQPCPRBJLLCBRC-KRWDZBQOSA-N 0 3 308.422 2.119 20 10 DECDHN CSCc1nnc(C[NH2+]Cc2ccc(N(C)C)cc2C)[n-]1 ZINC000895814335 638211820 /nfs/dbraw/zinc/21/18/20/638211820.db2.gz PQYVGYRKTMMSBO-UHFFFAOYSA-N 0 3 305.451 2.332 20 10 DECDHN CCOc1ccc(C[NH2+][C@@H]2CCN(CC(F)F)C2)c([O-])c1 ZINC000841893465 638214765 /nfs/dbraw/zinc/21/47/65/638214765.db2.gz FQTACOAHMMBZSP-GFCCVEGCSA-N 0 3 300.349 2.220 20 10 DECDHN CCOC(=O)[C@H]1CCN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000896960200 639094740 /nfs/dbraw/zinc/09/47/40/639094740.db2.gz KQFDIPNRFPGKEJ-JTQLQIEISA-N 0 3 313.781 2.439 20 10 DECDHN Cc1ccc(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)c([O-])c1O ZINC000841466482 650500245 /nfs/dbraw/zinc/50/02/45/650500245.db2.gz CYMGAFCANNOCDA-UHFFFAOYSA-N 0 3 306.406 2.353 20 10 DECDHN CCC1(CC)CNC(=O)[C@@H]1NCc1ccc(N(C)C)c(F)c1 ZINC000897345720 639527188 /nfs/dbraw/zinc/52/71/88/639527188.db2.gz NKWYMNPCLIDRSH-HNNXBMFYSA-N 0 3 307.413 2.286 20 10 DECDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)NCC(F)(F)F)c1 ZINC000756480766 639665210 /nfs/dbraw/zinc/66/52/10/639665210.db2.gz ZOLLUTVZJFBVDS-BDAKNGLRSA-N 0 3 320.311 2.118 20 10 DECDHN C[C@@H]1NCCN(C(=O)NCCCSc2nccs2)[C@H]1C ZINC000841856401 650581411 /nfs/dbraw/zinc/58/14/11/650581411.db2.gz JETHIAZYXNSTCN-QWRGUYRKSA-N 0 3 314.480 2.017 20 10 DECDHN CCN(CC)c1ccc(CN[C@@]2(CC(=O)OC)CCOC2)cc1 ZINC000766467398 640884763 /nfs/dbraw/zinc/88/47/63/640884763.db2.gz JBVMEJPRXMITIF-GOSISDBHSA-N 0 3 320.433 2.345 20 10 DECDHN COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1cc(F)ccc1[O-] ZINC000897984995 640995169 /nfs/dbraw/zinc/99/51/69/640995169.db2.gz JARIFTWJZGSCKH-LBPRGKRZSA-N 0 3 319.336 2.139 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCCC3(CCOCC3)C1)[C@@H](O)CO2 ZINC000768465227 641084916 /nfs/dbraw/zinc/08/49/16/641084916.db2.gz DDZWNFNJVQTIMR-INIZCTEOSA-N 0 3 319.401 2.211 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCCC3(CCOCC3)C1)[C@@H](O)CO2 ZINC000768465227 641084921 /nfs/dbraw/zinc/08/49/21/641084921.db2.gz DDZWNFNJVQTIMR-INIZCTEOSA-N 0 3 319.401 2.211 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](C3CCOCC3)C1)[C@@H](O)CO2 ZINC000768466274 641086172 /nfs/dbraw/zinc/08/61/72/641086172.db2.gz XKHNRCNMFPCEOR-DYVFJYSZSA-N 0 3 319.401 2.067 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](C3CCOCC3)C1)[C@@H](O)CO2 ZINC000768466274 641086178 /nfs/dbraw/zinc/08/61/78/641086178.db2.gz XKHNRCNMFPCEOR-DYVFJYSZSA-N 0 3 319.401 2.067 20 10 DECDHN CCOc1ccc(C[NH2+]C[C@H](CO)Cc2ccco2)c([O-])c1 ZINC000768840561 641132413 /nfs/dbraw/zinc/13/24/13/641132413.db2.gz FZBSJZOWUMEOKC-CYBMUJFWSA-N 0 3 305.374 2.325 20 10 DECDHN CN(C)Cc1cccc(C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000768900373 641141448 /nfs/dbraw/zinc/14/14/48/641141448.db2.gz HMVTXBXQAVHBOF-UHFFFAOYSA-N 0 3 314.385 2.132 20 10 DECDHN CC[N@H+](CCCO)Cc1cc(Br)cc(OC)c1[O-] ZINC000769482821 641249317 /nfs/dbraw/zinc/24/93/17/641249317.db2.gz JCAVZQKLGUJBKS-UHFFFAOYSA-N 0 3 318.211 2.368 20 10 DECDHN CC[N@@H+](CCCO)Cc1cc(Br)cc(OC)c1[O-] ZINC000769482821 641249324 /nfs/dbraw/zinc/24/93/24/641249324.db2.gz JCAVZQKLGUJBKS-UHFFFAOYSA-N 0 3 318.211 2.368 20 10 DECDHN CCC[C@H](O)[C@@H](CO)NCc1ccc(N(CC)CC)c(F)c1 ZINC000842224652 650673024 /nfs/dbraw/zinc/67/30/24/650673024.db2.gz DNOXIPKNTDWDKA-WBVHZDCISA-N 0 3 312.429 2.283 20 10 DECDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1CCN1C1CCOCC1)CC2 ZINC000927103801 641628921 /nfs/dbraw/zinc/62/89/21/641628921.db2.gz SQLDHDMKQIMSJY-JKSUJKDBSA-N 0 3 302.418 2.222 20 10 DECDHN [O-]c1ccccc1C[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000898723943 641765440 /nfs/dbraw/zinc/76/54/40/641765440.db2.gz KNAOEPWNLUMFKV-NSHDSACASA-N 0 3 322.206 2.456 20 10 DECDHN CCN(C)c1ccc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1 ZINC000773887065 641836893 /nfs/dbraw/zinc/83/68/93/641836893.db2.gz ABQWYHILLBVEJD-XIRDDKMYSA-N 0 3 301.434 2.229 20 10 DECDHN CC(C)NC(=O)NC(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774482579 641908771 /nfs/dbraw/zinc/90/87/71/641908771.db2.gz LWFYRSREPNRODO-OLZOCXBDSA-N 0 3 320.437 2.026 20 10 DECDHN C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899101666 641934481 /nfs/dbraw/zinc/93/44/81/641934481.db2.gz KJKMBIQSJHPEMX-RHSMWYFYSA-N 0 3 318.465 2.407 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCOCC3(CCCC3)C1)[C@H](O)CO2 ZINC000774654471 641936908 /nfs/dbraw/zinc/93/69/08/641936908.db2.gz DRMJOAIZCOBWGG-MRXNPFEDSA-N 0 3 319.401 2.211 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCOCC3(CCCC3)C1)[C@H](O)CO2 ZINC000774654471 641936916 /nfs/dbraw/zinc/93/69/16/641936916.db2.gz DRMJOAIZCOBWGG-MRXNPFEDSA-N 0 3 319.401 2.211 20 10 DECDHN C[C@@H]1CCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098197 641940320 /nfs/dbraw/zinc/94/03/20/641940320.db2.gz LZVVCAXNQNZNET-CJNGLKHVSA-N 0 3 304.438 2.159 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)NCCCF)N(C)C)cc1 ZINC000899101193 641942951 /nfs/dbraw/zinc/94/29/51/641942951.db2.gz GEXJGPRUBAAXBB-OAHLLOKOSA-N 0 3 310.417 2.014 20 10 DECDHN C[C@H]1OCCN(Cc2ccc(N3CCN(C)CC3)cc2)[C@H]1C ZINC000775701387 642081499 /nfs/dbraw/zinc/08/14/99/642081499.db2.gz UPANDSCHZYYWRM-JKSUJKDBSA-N 0 3 303.450 2.048 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1C1CCOCC1)[C@H](O)CO2 ZINC000776771743 642206315 /nfs/dbraw/zinc/20/63/15/642206315.db2.gz JBJDVQWEWJKZOB-DOTOQJQBSA-N 0 3 319.401 2.209 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1C1CCOCC1)[C@H](O)CO2 ZINC000776771743 642206317 /nfs/dbraw/zinc/20/63/17/642206317.db2.gz JBJDVQWEWJKZOB-DOTOQJQBSA-N 0 3 319.401 2.209 20 10 DECDHN CCOc1ccc(O)c(CN2CCC(O)(C(F)F)CC2)c1 ZINC000779208266 642472676 /nfs/dbraw/zinc/47/26/76/642472676.db2.gz GRZYXCJCVLYGMK-UHFFFAOYSA-N 0 3 301.333 2.383 20 10 DECDHN COc1ccc(N2CCN(CC[C@H]3CCOC3)CC2)cc1F ZINC000783577013 643022327 /nfs/dbraw/zinc/02/23/27/643022327.db2.gz WLLQSHNYULGICF-AWEZNQCLSA-N 0 3 308.397 2.383 20 10 DECDHN [O-]c1cc2c(cc1C[NH+]1CCC([C@@H]3CCCO3)CC1)[C@H](O)CO2 ZINC000783969119 643073511 /nfs/dbraw/zinc/07/35/11/643073511.db2.gz SZOVDDWHMOBTKE-SJORKVTESA-N 0 3 319.401 2.209 20 10 DECDHN COc1cc(Br)cc(C[NH2+][C@@H]2CO[C@H](C)C2)c1[O-] ZINC000842773608 650823439 /nfs/dbraw/zinc/82/34/39/650823439.db2.gz BYAIALLWIRBSAI-KCJUWKMLSA-N 0 3 316.195 2.430 20 10 DECDHN CN(C)c1ccc([C@H](CN[C@H]2CCn3ccnc32)N(C)C)cc1 ZINC000903449148 643355358 /nfs/dbraw/zinc/35/53/58/643355358.db2.gz VSJAYPNXHOZCNR-IRXDYDNUSA-N 0 3 313.449 2.286 20 10 DECDHN C[C@@H]1C[C@@H]([NH2+]CCC2CS(=O)(=O)C2)c2c1c(F)ccc2[O-] ZINC000786943876 643431910 /nfs/dbraw/zinc/43/19/10/643431910.db2.gz BEKSXBDDBSPYBU-BXKDBHETSA-N 0 3 313.394 2.104 20 10 DECDHN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCCN1C1CC1 ZINC000787375759 643488655 /nfs/dbraw/zinc/48/86/55/643488655.db2.gz FYUXYTWWBVOABA-QGZVFWFLSA-N 0 3 301.434 2.304 20 10 DECDHN COC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])[C@@H]1CCCO1 ZINC000789777527 643775038 /nfs/dbraw/zinc/77/50/38/643775038.db2.gz WMMQCUSCIZVFDZ-OLZOCXBDSA-N 0 3 315.797 2.338 20 10 DECDHN COc1cccc(O)c1CN1C[C@H](C)OC2(CCOCC2)C1 ZINC000790930385 643909911 /nfs/dbraw/zinc/90/99/11/643909911.db2.gz LPBZKODIFZNDGL-ZDUSSCGKSA-N 0 3 307.390 2.171 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCOC[C@@H](C3CCC3)C1)[C@H](O)CO2 ZINC000793740932 644294999 /nfs/dbraw/zinc/29/49/99/644294999.db2.gz GYZIYHVQCBKOOU-WMLDXEAASA-N 0 3 319.401 2.067 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCOC[C@@H](C3CCC3)C1)[C@H](O)CO2 ZINC000793740932 644295006 /nfs/dbraw/zinc/29/50/06/644295006.db2.gz GYZIYHVQCBKOOU-WMLDXEAASA-N 0 3 319.401 2.067 20 10 DECDHN COc1cc(C)cc(CN2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1O ZINC000794892478 644488653 /nfs/dbraw/zinc/48/86/53/644488653.db2.gz VHGSVGCYVFXDNN-KDOFPFPSSA-N 0 3 321.417 2.479 20 10 DECDHN CNC(=O)C[C@@H](NCc1cc(OC)ccc1O)c1ccccc1 ZINC000796036125 644677681 /nfs/dbraw/zinc/67/76/81/644677681.db2.gz HFISYDSGFNRIIE-MRXNPFEDSA-N 0 3 314.385 2.368 20 10 DECDHN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](N)C(C)(C)C)C2)cc1 ZINC000843507685 650987137 /nfs/dbraw/zinc/98/71/37/650987137.db2.gz QWNMCVHNCKVHMD-XJKSGUPXSA-N 0 3 319.449 2.011 20 10 DECDHN COc1cc(Br)cc(C[NH2+]CC(C)(C)O)c1[O-] ZINC000111385827 645666248 /nfs/dbraw/zinc/66/62/48/645666248.db2.gz ZJEHSUDPBHTMFB-UHFFFAOYSA-N 0 3 304.184 2.024 20 10 DECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2CCS(=O)(=O)C2)c1[O-] ZINC000808674046 646125221 /nfs/dbraw/zinc/12/52/21/646125221.db2.gz MTURCCGKAPEFLJ-GHMZBOCLSA-N 0 3 317.838 2.439 20 10 DECDHN COc1ccc(CNCc2ncc(CN(C)C)s2)c(O)c1 ZINC000809658011 646259720 /nfs/dbraw/zinc/25/97/20/646259720.db2.gz ALCSRSPYYSTQHK-UHFFFAOYSA-N 0 3 307.419 2.209 20 10 DECDHN COCC1([NH2+]Cc2cc(Cl)cc(OC)c2[O-])CCOCC1 ZINC000816626084 647160300 /nfs/dbraw/zinc/16/03/00/647160300.db2.gz UTYWDUHRZQEMFM-UHFFFAOYSA-N 0 3 315.797 2.339 20 10 DECDHN O=C1CC[C@H](C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)O1 ZINC000821392512 648051714 /nfs/dbraw/zinc/05/17/14/648051714.db2.gz ZZHMPOGYCJRQEJ-LSDHHAIUSA-N 0 3 305.374 2.079 20 10 DECDHN O=C1CC[C@H](C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)O1 ZINC000821392512 648051720 /nfs/dbraw/zinc/05/17/20/648051720.db2.gz ZZHMPOGYCJRQEJ-LSDHHAIUSA-N 0 3 305.374 2.079 20 10 DECDHN CCOc1ccc(CN2CC[C@H](OC(=O)N(C)C)C2)c(O)c1 ZINC000824576173 648614415 /nfs/dbraw/zinc/61/44/15/648614415.db2.gz CDZQSFWAQTTWDJ-AWEZNQCLSA-N 0 3 308.378 2.063 20 10 DECDHN [O-]c1cc2c(cc1C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1)OCO2 ZINC000824845136 648661019 /nfs/dbraw/zinc/66/10/19/648661019.db2.gz IFAOYOZOCUUERU-SUMWQHHRSA-N 0 3 305.374 2.008 20 10 DECDHN CC[C@H]1CN(CC)CCN1Cc1cc(OC)c(OC)cc1O ZINC000825005456 648683746 /nfs/dbraw/zinc/68/37/46/648683746.db2.gz LJWCQRAMZMDTFN-AWEZNQCLSA-N 0 3 308.422 2.326 20 10 DECDHN COc1cccc(CNCc2c(C(F)(F)F)cnn2C)c1O ZINC000825915998 648825803 /nfs/dbraw/zinc/82/58/03/648825803.db2.gz GSNRBEKPYGDAEG-UHFFFAOYSA-N 0 3 315.295 2.443 20 10 DECDHN COc1ccc(O)c([C@H](C)NCC(=O)NC(C2CC2)C2CC2)c1 ZINC000182329649 648875240 /nfs/dbraw/zinc/87/52/40/648875240.db2.gz XJSOCGUXLAYKMZ-NSHDSACASA-N 0 3 318.417 2.356 20 10 DECDHN C[C@@H](C1CC1)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000071950747 649244241 /nfs/dbraw/zinc/24/42/41/649244241.db2.gz SNTUCYNJXCOTHM-AWEZNQCLSA-N 0 3 303.450 2.441 20 10 DECDHN Nc1ccc(CC(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000831390388 649584069 /nfs/dbraw/zinc/58/40/69/649584069.db2.gz XTFHQIGPZSRQRR-UHFFFAOYSA-N 0 3 301.434 2.288 20 10 DECDHN Cn1cc(N2CCC[C@@H]([NH2+][C@@H]3CCc4cccc([O-])c43)C2)cn1 ZINC000834602023 649822212 /nfs/dbraw/zinc/82/22/12/649822212.db2.gz HMWDMOMTYMCKCB-GDBMZVCRSA-N 0 3 312.417 2.372 20 10 DECDHN COc1cccc([C@@H](C)N[C@H]2CCN(C(C)(C)C)C2=O)c1O ZINC000846172368 651312922 /nfs/dbraw/zinc/31/29/22/651312922.db2.gz LPRIDGXNZIHPAW-YPMHNXCESA-N 0 3 306.406 2.451 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](OC3CCC3)C1)[C@H](O)CO2 ZINC000848498403 651464048 /nfs/dbraw/zinc/46/40/48/651464048.db2.gz SCBLLJWPKFGMST-RHSMWYFYSA-N 0 3 319.401 2.352 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](OC3CCC3)C1)[C@H](O)CO2 ZINC000848498403 651464049 /nfs/dbraw/zinc/46/40/49/651464049.db2.gz SCBLLJWPKFGMST-RHSMWYFYSA-N 0 3 319.401 2.352 20 10 DECDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CC[C@H]2O)c1[O-] ZINC000848555610 651470049 /nfs/dbraw/zinc/47/00/49/651470049.db2.gz UZQJWZXPYBCUJR-AVPPRXQKSA-N 0 3 316.195 2.337 20 10 DECDHN C[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848556905 651470636 /nfs/dbraw/zinc/47/06/36/651470636.db2.gz DBMRNURJUGAWDL-TTZDDIAXSA-N 0 3 304.434 2.467 20 10 DECDHN COc1ccc(N2CC[C@@H](N[C@H](C)c3ccc(=O)[nH]n3)C2)cc1 ZINC000850488761 651938070 /nfs/dbraw/zinc/93/80/70/651938070.db2.gz OLOBSNHSTGXOKM-CHWSQXEVSA-N 0 3 314.389 2.120 20 10 DECDHN C[C@H](N[C@H](CO)c1ccnn1C)c1cc2c(cc1O)CCCC2 ZINC000858434775 652335828 /nfs/dbraw/zinc/33/58/28/652335828.db2.gz PEWSIDWQQVQQFH-BLLLJJGKSA-N 0 3 315.417 2.389 20 10 DECDHN CCOc1cccc(C[N@@H+](C)C[C@H]2CCN(C(C)=O)C2)c1[O-] ZINC000092100854 684040630 /nfs/dbraw/zinc/04/06/30/684040630.db2.gz BAXOUJDONRLAEX-CQSZACIVSA-N 0 3 306.406 2.091 20 10 DECDHN CCOc1cccc(C[N@H+](C)C[C@H]2CCN(C(C)=O)C2)c1[O-] ZINC000092100854 684040628 /nfs/dbraw/zinc/04/06/28/684040628.db2.gz BAXOUJDONRLAEX-CQSZACIVSA-N 0 3 306.406 2.091 20 10 DECDHN CCOC(=O)C1(CNCc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862327733 686276781 /nfs/dbraw/zinc/27/67/81/686276781.db2.gz GKOVQUKWZJYCNO-UHFFFAOYSA-N 0 3 312.360 2.464 20 10 DECDHN C[C@@](CO)(NCc1ccccc1O)c1cccc([N+](=O)[O-])c1 ZINC000865705324 687307575 /nfs/dbraw/zinc/30/75/75/687307575.db2.gz NVJXKILBXKFUJI-INIZCTEOSA-N 0 3 302.330 2.298 20 10 DECDHN Cc1cc(CN2CCN(Cc3c(C)cccc3O)CC2)no1 ZINC000876548314 689853259 /nfs/dbraw/zinc/85/32/59/689853259.db2.gz CBPJUZQTJXNKCO-UHFFFAOYSA-N 0 3 301.390 2.315 20 10 DECDHN Cc1cccc([O-])c1C[NH+]1CCC([C@@H](O)c2nccn2C)CC1 ZINC000876740861 689923097 /nfs/dbraw/zinc/92/30/97/689923097.db2.gz GLEBOMUVCSGTQH-QGZVFWFLSA-N 0 3 315.417 2.380 20 10 DECDHN Cc1cccc([O-])c1C[N@@H+](C)CC(C)(C)CN1CCOCC1 ZINC000876778517 689934925 /nfs/dbraw/zinc/93/49/25/689934925.db2.gz HFQFZGNXDATDAS-UHFFFAOYSA-N 0 3 306.450 2.491 20 10 DECDHN Cc1cccc([O-])c1C[N@H+](C)CC(C)(C)CN1CCOCC1 ZINC000876778517 689934927 /nfs/dbraw/zinc/93/49/27/689934927.db2.gz HFQFZGNXDATDAS-UHFFFAOYSA-N 0 3 306.450 2.491 20 10 DECDHN Cc1ccc(CNc2cc(C(N)=O)ccc2CN(C)C)c(O)c1 ZINC000876865349 689958286 /nfs/dbraw/zinc/95/82/86/689958286.db2.gz YBOQJPAAJVVRDQ-UHFFFAOYSA-N 0 3 313.401 2.473 20 10 DECDHN COCC(C)(C)CN1CCN(c2ccc(OC)cc2OC)CC1 ZINC000877708352 690198540 /nfs/dbraw/zinc/19/85/40/690198540.db2.gz JJGQCWQTYFIVTE-UHFFFAOYSA-N 0 3 322.449 2.498 20 10 DECDHN CCCN(CCC)c1ccc(CN2CC[C@@H](O)[C@@H](O)C2)cc1 ZINC000877749244 690214537 /nfs/dbraw/zinc/21/45/37/690214537.db2.gz VHWAWSCPYNYWCC-MSOLQXFVSA-N 0 3 306.450 2.241 20 10 DECDHN CN1CCN(c2ccc(CNc3cccc4n[nH]nc43)cc2)CC1 ZINC000883133599 691436423 /nfs/dbraw/zinc/43/64/23/691436423.db2.gz DBRKBRXJWUWBJG-UHFFFAOYSA-N 0 3 322.416 2.322 20 10 DECDHN CON(C)CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000883172718 691447835 /nfs/dbraw/zinc/44/78/35/691447835.db2.gz QEQDMTCEARWKNK-UHFFFAOYSA-N 0 3 322.409 2.168 20 10 DECDHN C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)c2c1c(F)ccc2[O-] ZINC000883374660 691492678 /nfs/dbraw/zinc/49/26/78/691492678.db2.gz KURDTOAYGIDGKA-GMOBBJLQSA-N 0 3 313.394 2.245 20 10 DECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)[C@@H]2C)O1 ZINC000886341404 692061585 /nfs/dbraw/zinc/06/15/85/692061585.db2.gz UQXNNPTVPHTXPN-WZTLGTBRSA-N 0 3 321.417 2.463 20 10 DECDHN C[C@@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)CN1CCN(C)CC1 ZINC000886522268 692100787 /nfs/dbraw/zinc/10/07/87/692100787.db2.gz GFFSPFVFDLDVMX-KBPBESRZSA-N 0 3 309.429 2.065 20 10 DECDHN CCN(C(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H]1CCN(C)C1 ZINC001350478810 1151361982 /nfs/dbraw/zinc/36/19/82/1151361982.db2.gz CFUAJCZXIOEGRR-CQSZACIVSA-N 0 3 322.428 2.127 20 10 DECDHN C[C@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@H](O)CO ZINC001332697773 1149881372 /nfs/dbraw/zinc/88/13/72/1149881372.db2.gz MAVHSIXQJOOJQD-PBHICJAKSA-N 0 3 301.386 2.309 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)NC2CCC2)N(C)C)cc1 ZINC001333807336 1150093682 /nfs/dbraw/zinc/09/36/82/1150093682.db2.gz IDLSXBZOYCHTDV-MRXNPFEDSA-N 0 3 304.438 2.207 20 10 DECDHN [NH3+][C@@H]1C[C@H](F)CN(Cc2c([O-])cccc2Br)C1 ZINC001206423707 795331952 /nfs/dbraw/zinc/33/19/52/795331952.db2.gz LOMUKPKWBSKEEZ-DTWKUNHWSA-N 0 3 303.175 2.026 20 10 DECDHN Cc1cc(CN2CCC[C@@]3(CNC(=O)O3)C2)ccc1N(C)C ZINC001139673505 796408292 /nfs/dbraw/zinc/40/82/92/796408292.db2.gz SGSSCJMSQZLAJH-QGZVFWFLSA-N 0 3 303.406 2.135 20 10 DECDHN CC(C)(C)OC(=O)N[C@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3[O-])C[C@H]21 ZINC001140062735 796472127 /nfs/dbraw/zinc/47/21/27/796472127.db2.gz FRCUBMSHERZARG-AGGWBTHJSA-N 0 3 322.380 2.486 20 10 DECDHN CC(C)(C)OC(=O)N[C@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3[O-])C[C@H]21 ZINC001140062735 796472128 /nfs/dbraw/zinc/47/21/28/796472128.db2.gz FRCUBMSHERZARG-AGGWBTHJSA-N 0 3 322.380 2.486 20 10 DECDHN CCN1CCN(c2ccc(CN3CCC(=O)C[C@H]3C)cc2)CC1 ZINC001140302496 796503571 /nfs/dbraw/zinc/50/35/71/796503571.db2.gz SBOYKFVDCZPZFF-MRXNPFEDSA-N 0 3 315.461 2.382 20 10 DECDHN COC[C@@H]1CCCN1Cc1ccc(N2CCOCC2)cc1F ZINC001140660077 796551006 /nfs/dbraw/zinc/55/10/06/796551006.db2.gz FCOAAAHMCCFXFE-INIZCTEOSA-N 0 3 308.397 2.273 20 10 DECDHN Fc1cc(N2CCOCC2)ccc1CN1CCCC2(COC2)C1 ZINC001140660048 796551325 /nfs/dbraw/zinc/55/13/25/796551325.db2.gz DJAGVGRYYHZEQB-UHFFFAOYSA-N 0 3 320.408 2.275 20 10 DECDHN C[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2F)C[C@@]1(C)O ZINC001140660183 796551967 /nfs/dbraw/zinc/55/19/67/796551967.db2.gz IRNPMZHBQLUERO-RDTXWAMCSA-N 0 3 322.424 2.255 20 10 DECDHN CN(Cc1ccc(N2CCOCC2)cc1F)CC1(C)COC1 ZINC001140661359 796552628 /nfs/dbraw/zinc/55/26/28/796552628.db2.gz BOPFYBMMODSOIL-UHFFFAOYSA-N 0 3 308.397 2.131 20 10 DECDHN Cc1cccnc1O[C@@H]1CCN(Cc2cc(O)ccc2O)C1 ZINC001141163100 796643756 /nfs/dbraw/zinc/64/37/56/796643756.db2.gz PBFCULJYGPAFQY-OAHLLOKOSA-N 0 3 300.358 2.455 20 10 DECDHN COCCn1cc(CNCc2ccc3c(c2)CCCN3C)cn1 ZINC001199823779 798552488 /nfs/dbraw/zinc/55/24/88/798552488.db2.gz VRBCMFYPYLEAIT-UHFFFAOYSA-N 0 3 314.433 2.202 20 10 DECDHN COc1ccc(C[N@@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)c([O-])c1 ZINC001203620823 800091789 /nfs/dbraw/zinc/09/17/89/800091789.db2.gz JFUQHNXVSZMBFR-PWSUYJOCSA-N 0 3 305.296 2.003 20 10 DECDHN COc1ccc(C[N@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)c([O-])c1 ZINC001203620823 800091797 /nfs/dbraw/zinc/09/17/97/800091797.db2.gz JFUQHNXVSZMBFR-PWSUYJOCSA-N 0 3 305.296 2.003 20 10 DECDHN COc1ccc(CN2C[C@H](CO)[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001203620823 800091809 /nfs/dbraw/zinc/09/18/09/800091809.db2.gz JFUQHNXVSZMBFR-PWSUYJOCSA-N 0 3 305.296 2.003 20 10 DECDHN CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(Cc1ccc(O)cc1O)C2 ZINC001204276369 800199454 /nfs/dbraw/zinc/19/94/54/800199454.db2.gz LAMSQYMNDLTBJQ-SJCJKPOMSA-N 0 3 320.389 2.197 20 10 DECDHN COc1cc(C)c(CN2CC[C@](O)(C(F)(F)F)C2)c(O)c1 ZINC001205411360 800355309 /nfs/dbraw/zinc/35/53/09/800355309.db2.gz BPJRZWMQFFGTIT-CYBMUJFWSA-N 0 3 305.296 2.208 20 10 DECDHN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1C[C@@H](C)CC[C@H]1CN ZINC001205819413 800426231 /nfs/dbraw/zinc/42/62/31/800426231.db2.gz XQLYIBAEWKNZOL-AAEUAGOBSA-N 0 3 316.401 2.366 20 10 DECDHN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1C[C@@H](C)CC[C@H]1CN ZINC001205819413 800426237 /nfs/dbraw/zinc/42/62/37/800426237.db2.gz XQLYIBAEWKNZOL-AAEUAGOBSA-N 0 3 316.401 2.366 20 10 DECDHN COc1ccc(Br)c(CN2CCC[C@H]2CO)c1O ZINC001231550749 801686360 /nfs/dbraw/zinc/68/63/60/801686360.db2.gz QEWNZADUBLTQKK-VIFPVBQESA-N 0 3 316.195 2.120 20 10 DECDHN COC(=O)C[C@H]1CCN(Cc2ccc(N(C)C)cc2OC)C1 ZINC001231858475 801738712 /nfs/dbraw/zinc/73/87/12/801738712.db2.gz WNNKJROSUNYIOZ-CYBMUJFWSA-N 0 3 306.406 2.146 20 10 DECDHN CC(C)(C)OC(=O)[C@H]1CCCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233485437 802127660 /nfs/dbraw/zinc/12/76/60/802127660.db2.gz VVSROBPQSRZKHY-NSHDSACASA-N 0 3 323.389 2.357 20 10 DECDHN Oc1cc(O)c(CN2CC[C@@H](N3CCCCC3)[C@@H](F)C2)cc1O ZINC001233487774 802128689 /nfs/dbraw/zinc/12/86/89/802128689.db2.gz RMMWDYXSAXQJLV-UONOGXRCSA-N 0 3 324.396 2.202 20 10 DECDHN Cc1cc(CN2CCOC3(CNC3)C2)c(C)n1-c1ccccc1 ZINC001222447365 802687032 /nfs/dbraw/zinc/68/70/32/802687032.db2.gz SUEUWHROFUAVKK-UHFFFAOYSA-N 0 3 311.429 2.268 20 10 DECDHN COc1cc(C)c(CN2CCCc3c(cnn3C)C2)c(O)c1 ZINC001462339933 1058802552 /nfs/dbraw/zinc/80/25/52/1058802552.db2.gz MMEDNJFHYAPETJ-UHFFFAOYSA-N 0 3 301.390 2.391 20 10 DECDHN CNC(=O)[C@H](Cc1ccccc1)NCc1ccc2c(c1)CCCO2 ZINC001474112136 1060818911 /nfs/dbraw/zinc/81/89/11/1060818911.db2.gz UTVFQKFBQGUTFG-SFHVURJKSA-N 0 3 324.424 2.459 20 10 DECDHN CC(C)CN(C(=O)Cc1ccc(O)c(O)c1)C1CCN(C)CC1 ZINC001615921788 1078128596 /nfs/dbraw/zinc/12/85/96/1078128596.db2.gz SFTCWXHYIFEPAE-UHFFFAOYSA-N 0 3 320.433 2.219 20 10 DECDHN CNC(=O)CC1CC[NH+](Cc2c(C)cc(OC)cc2[O-])CC1 ZINC001657405628 1080173086 /nfs/dbraw/zinc/17/30/86/1080173086.db2.gz ZKUYOPPZFABJRU-UHFFFAOYSA-N 0 3 306.406 2.057 20 10 DECDHN CC(C)N1CC[C@H](NCc2ccc(N3CCCC3)cc2)C1=O ZINC001661472607 1080485040 /nfs/dbraw/zinc/48/50/40/1080485040.db2.gz BCEONVSTUPQQMJ-KRWDZBQOSA-N 0 3 301.434 2.386 20 10 DECDHN CC(C)c1ccc(O)c(CN2CCN([C@H]3CCOC3)CC2)c1 ZINC001665185383 1080998120 /nfs/dbraw/zinc/99/81/20/1080998120.db2.gz HJOFVQRGFIYPMV-KRWDZBQOSA-N 0 3 304.434 2.422 20 10 DECDHN CCN(C(=O)[C@]12C[C@H]1CCN2Cc1ccc(O)cc1O)C(C)C ZINC001277192652 1083839005 /nfs/dbraw/zinc/83/90/05/1083839005.db2.gz SBUJTEJUZLJERI-KDOFPFPSSA-N 0 3 318.417 2.319 20 10 DECDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@H](O)[C@](C)(CO)C2)c([O-])c1 ZINC001235674958 1084496316 /nfs/dbraw/zinc/49/63/16/1084496316.db2.gz JSXXCRFUMJKKLK-WMZOPIPTSA-N 0 3 307.434 2.255 20 10 DECDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@H](O)[C@](C)(CO)C2)c([O-])c1 ZINC001235674958 1084496320 /nfs/dbraw/zinc/49/63/20/1084496320.db2.gz JSXXCRFUMJKKLK-WMZOPIPTSA-N 0 3 307.434 2.255 20 10 DECDHN CC(C)(C)c1cc([O-])c(CN2CC[NH2+][C@@H](CO)C2)cc1Cl ZINC001235750636 1084517164 /nfs/dbraw/zinc/51/71/64/1084517164.db2.gz QJBJPLAZPSKHNL-GFCCVEGCSA-N 0 3 312.841 2.109 20 10 DECDHN [O-]c1ccccc1C[NH+]1CCC2(CN(Cc3cn[nH]c3)C2)CC1 ZINC001275267540 1091645306 /nfs/dbraw/zinc/64/53/06/1091645306.db2.gz QSQWOGUPQJJMJQ-UHFFFAOYSA-N 0 3 312.417 2.213 20 10 DECDHN CCc1ccc(CN2CCN(C[C@H]3CCCO3)CC2)c(O)c1 ZINC001236788739 1138428399 /nfs/dbraw/zinc/42/83/99/1138428399.db2.gz NZJYWQQDGGMSOE-QGZVFWFLSA-N 0 3 304.434 2.251 20 10 DECDHN CC[NH+]1C[C@H]2CN(Cc3c([O-])cc(OC)cc3Cl)C[C@@H]2C1 ZINC001236806540 1138432706 /nfs/dbraw/zinc/43/27/06/1138432706.db2.gz YCCJTXMBTQZERQ-RYUDHWBXSA-N 0 3 310.825 2.438 20 10 DECDHN COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1c(C)cc(OC)cc1[O-])C2 ZINC001236821735 1138440302 /nfs/dbraw/zinc/44/03/02/1138440302.db2.gz SYTTVZZTLSXSFS-MJBXVCDLSA-N 0 3 319.401 2.483 20 10 DECDHN COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c(C)cc(OC)cc1[O-])C2 ZINC001236821735 1138440305 /nfs/dbraw/zinc/44/03/05/1138440305.db2.gz SYTTVZZTLSXSFS-MJBXVCDLSA-N 0 3 319.401 2.483 20 10 DECDHN CCN(CCOC)Cc1ccc(N2CCN(C)CC2)cc1F ZINC001236931326 1138459882 /nfs/dbraw/zinc/45/98/82/1138459882.db2.gz JFFWOBSXJDGQNL-UHFFFAOYSA-N 0 3 309.429 2.046 20 10 DECDHN CO[C@H](C)C1CN(Cc2ccc(N3CCN(C)CC3)cc2F)C1 ZINC001236945451 1138463625 /nfs/dbraw/zinc/46/36/25/1138463625.db2.gz ISUROJWASSKCJP-CQSZACIVSA-N 0 3 321.440 2.044 20 10 DECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@]2(CCN2c2ncccn2)C1 ZINC001237486971 1138654602 /nfs/dbraw/zinc/65/46/02/1138654602.db2.gz WGSQHJWTUCAHGG-GOSISDBHSA-N 0 3 310.401 2.345 20 10 DECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@]2(CCN2c2ncccn2)C1 ZINC001237486971 1138654606 /nfs/dbraw/zinc/65/46/06/1138654606.db2.gz WGSQHJWTUCAHGG-GOSISDBHSA-N 0 3 310.401 2.345 20 10 DECDHN COc1cc(CN2CCN(C(C)(C)C)CC2)c(O)c(OC)c1 ZINC001237676252 1138748270 /nfs/dbraw/zinc/74/82/70/1138748270.db2.gz MFGXNFWIWRXJKK-UHFFFAOYSA-N 0 3 308.422 2.326 20 10 DECDHN CC[C@@H]([NH2+][C@H](C)C(=O)NCC(F)(F)F)c1ccccc1[O-] ZINC001320713634 1140897580 /nfs/dbraw/zinc/89/75/80/1140897580.db2.gz YWCSORMRIWBDNY-MWLCHTKSSA-N 0 3 304.312 2.500 20 10 DECDHN C[C@H](O)CN1CCN(Cc2ccc(N3CCCC3)cc2)[C@@H](C)C1 ZINC001323397422 1141849576 /nfs/dbraw/zinc/84/95/76/1141849576.db2.gz RKVDQXQJRZAWPG-IRXDYDNUSA-N 0 3 317.477 2.174 20 10 DECDHN CC[N@H+](Cc1ccc(CC(=O)OC)cc1[O-])C1CCOCC1 ZINC001249201166 1141859192 /nfs/dbraw/zinc/85/91/92/1141859192.db2.gz INNHZOGRSJEADO-UHFFFAOYSA-N 0 3 307.390 2.109 20 10 DECDHN CC[N@@H+](Cc1ccc(CC(=O)OC)cc1[O-])C1CCOCC1 ZINC001249201166 1141859197 /nfs/dbraw/zinc/85/91/97/1141859197.db2.gz INNHZOGRSJEADO-UHFFFAOYSA-N 0 3 307.390 2.109 20 10 DECDHN COC(=O)Cc1ccc(C[NH+]2CCC3(CCCO3)CC2)c([O-])c1 ZINC001249201349 1141859211 /nfs/dbraw/zinc/85/92/11/1141859211.db2.gz PKBIPLMHQVBDMH-UHFFFAOYSA-N 0 3 319.401 2.253 20 10 DECDHN Cc1cc(N2CCOCC2)ccc1CCCN1CCN(C)CC1 ZINC001250231801 1142099498 /nfs/dbraw/zinc/09/94/98/1142099498.db2.gz YKMQZAFAEJMBNM-UHFFFAOYSA-N 0 3 317.477 2.012 20 10 DECDHN CCCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000092734224 185337256 /nfs/dbraw/zinc/33/72/56/185337256.db2.gz WTWZDNWGSTVFAH-AWEZNQCLSA-N 0 3 306.406 2.139 20 10 DECDHN CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000092734224 185337257 /nfs/dbraw/zinc/33/72/57/185337257.db2.gz WTWZDNWGSTVFAH-AWEZNQCLSA-N 0 3 306.406 2.139 20 10 DECDHN Nc1ccc(NC(=O)CCN2CCN(c3ccccc3)CC2)cc1 ZINC000237973866 283665051 /nfs/dbraw/zinc/66/50/51/283665051.db2.gz RICYIVIODONDSC-UHFFFAOYSA-N 0 3 324.428 2.420 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCOC[C@@H](C3CCC3)C1)OCO2 ZINC000292164237 285381829 /nfs/dbraw/zinc/38/18/29/285381829.db2.gz WOOBWOSQJFNDBZ-AWEZNQCLSA-N 0 3 305.374 2.369 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCOC[C@@H](C3CCC3)C1)OCO2 ZINC000292164237 285381832 /nfs/dbraw/zinc/38/18/32/285381832.db2.gz WOOBWOSQJFNDBZ-AWEZNQCLSA-N 0 3 305.374 2.369 20 10 DECDHN Cc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c([O-])c1O ZINC000272714002 130056860 /nfs/dbraw/zinc/05/68/60/130056860.db2.gz FQHGZEPWJFTZJC-CQSZACIVSA-N 0 3 318.417 2.497 20 10 DECDHN C[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1ccccc1[O-] ZINC000272926723 130075043 /nfs/dbraw/zinc/07/50/43/130075043.db2.gz YXAGRVKJVVJVPT-OWQGQXMQSA-N 0 3 304.434 2.421 20 10 DECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000275122635 130293480 /nfs/dbraw/zinc/29/34/80/130293480.db2.gz HWUDQBWRYRUKLX-NSHDSACASA-N 0 3 316.323 2.201 20 10 DECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000275122635 130293482 /nfs/dbraw/zinc/29/34/82/130293482.db2.gz HWUDQBWRYRUKLX-NSHDSACASA-N 0 3 316.323 2.201 20 10 DECDHN CN(C)c1ccc(CN[C@H]2CCO[C@@H]2c2nccn2C)cc1 ZINC000275584411 130342207 /nfs/dbraw/zinc/34/22/07/130342207.db2.gz PIAOQXFVDHMWHL-HOTGVXAUSA-N 0 3 300.406 2.106 20 10 DECDHN Brc1cnn(CCNCc2ccc3c(c2)CCO3)c1 ZINC000285579442 131182810 /nfs/dbraw/zinc/18/28/10/131182810.db2.gz UYEBWKOQOFBNFN-UHFFFAOYSA-N 0 3 322.206 2.370 20 10 DECDHN CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cc(OC)ccc1[O-] ZINC000289247802 131368672 /nfs/dbraw/zinc/36/86/72/131368672.db2.gz DZVLITIOHAXXAF-AWEZNQCLSA-N 0 3 306.406 2.282 20 10 DECDHN CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1cc(OC)ccc1[O-] ZINC000289247802 131368673 /nfs/dbraw/zinc/36/86/73/131368673.db2.gz DZVLITIOHAXXAF-AWEZNQCLSA-N 0 3 306.406 2.282 20 10 DECDHN [O-]c1ccccc1C[N@H+](CCn1cccn1)C[C@H]1CCCO1 ZINC000111233019 401701994 /nfs/dbraw/zinc/70/19/94/401701994.db2.gz QVXNUVRDWRMPHN-MRXNPFEDSA-N 0 3 301.390 2.270 20 10 DECDHN [O-]c1ccccc1C[N@@H+](CCn1cccn1)C[C@H]1CCCO1 ZINC000111233019 401701996 /nfs/dbraw/zinc/70/19/96/401701996.db2.gz QVXNUVRDWRMPHN-MRXNPFEDSA-N 0 3 301.390 2.270 20 10 DECDHN CN(C)c1ccc(CNC(=O)CN2CCC3(CCC3)C2)cc1 ZINC000123614723 402137553 /nfs/dbraw/zinc/13/75/53/402137553.db2.gz DYOAVHQNQPONPZ-UHFFFAOYSA-N 0 3 301.434 2.245 20 10 DECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C(C)C)N2CCOCC2)c1 ZINC000184915490 402308921 /nfs/dbraw/zinc/30/89/21/402308921.db2.gz LTPPNSAZHZYAJD-YOEHRIQHSA-N 0 3 322.449 2.408 20 10 DECDHN C[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])CN1CCN(C)CC1 ZINC000185344682 402345234 /nfs/dbraw/zinc/34/52/34/402345234.db2.gz GTAOTNRQNOZVBM-KBPBESRZSA-N 0 3 309.429 2.065 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@H](C)CN2CCCC2=O)c1[O-] ZINC000228671573 402339215 /nfs/dbraw/zinc/33/92/15/402339215.db2.gz IOSJSGLULPXVRC-SNVBAGLBSA-N 0 3 312.797 2.155 20 10 DECDHN COc1ccc([O-])c([C@H](C)[NH2+]CCc2cccc(C(N)=O)c2)c1 ZINC000185983501 402394873 /nfs/dbraw/zinc/39/48/73/402394873.db2.gz GXHRNMSDKAAINZ-LBPRGKRZSA-N 0 3 314.385 2.393 20 10 DECDHN C[C@@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H]1C ZINC000177880591 402442436 /nfs/dbraw/zinc/44/24/36/402442436.db2.gz PAVCMGJZHXCCBV-HUUCEWRRSA-N 0 3 303.450 2.441 20 10 DECDHN CCO[C@H]1C[C@@](CO)(NCc2ccc(N(C)C)cc2)C1(C)C ZINC000186584804 402444351 /nfs/dbraw/zinc/44/43/51/402444351.db2.gz KLIKAGXIAAZVNF-WMZOPIPTSA-N 0 3 306.450 2.408 20 10 DECDHN CCCOc1ccc(CN2CCN(C[C@H](C)O)[C@H](C)C2)c(O)c1 ZINC000245699963 402480937 /nfs/dbraw/zinc/48/09/37/402480937.db2.gz CWHLQFMQHFXNSS-CABCVRRESA-N 0 3 322.449 2.068 20 10 DECDHN C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C[C@H]1n1ccnc1 ZINC000246676678 402540387 /nfs/dbraw/zinc/54/03/87/402540387.db2.gz QSVCFCBOYXSXPM-TZMCWYRMSA-N 0 3 315.373 2.401 20 10 DECDHN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C[C@H]1n1ccnc1 ZINC000246676678 402540389 /nfs/dbraw/zinc/54/03/89/402540389.db2.gz QSVCFCBOYXSXPM-TZMCWYRMSA-N 0 3 315.373 2.401 20 10 DECDHN C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2ccccc2[O-])CC1 ZINC000179565112 402595405 /nfs/dbraw/zinc/59/54/05/402595405.db2.gz RRLGILGCRHRCCB-CALCHBBNSA-N 0 3 317.477 2.383 20 10 DECDHN C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(Cc2ccccc2[O-])CC1 ZINC000179565112 402595406 /nfs/dbraw/zinc/59/54/06/402595406.db2.gz RRLGILGCRHRCCB-CALCHBBNSA-N 0 3 317.477 2.383 20 10 DECDHN CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000193143309 402766697 /nfs/dbraw/zinc/76/66/97/402766697.db2.gz DVOORNRMGLJXMG-CYBMUJFWSA-N 0 3 306.406 2.196 20 10 DECDHN CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000193143309 402766700 /nfs/dbraw/zinc/76/67/00/402766700.db2.gz DVOORNRMGLJXMG-CYBMUJFWSA-N 0 3 306.406 2.196 20 10 DECDHN COc1c([O-])c(C[N@H+](C)C[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000278323691 402862938 /nfs/dbraw/zinc/86/29/38/402862938.db2.gz YNNGFMAIZSUWLX-GFCCVEGCSA-N 0 3 323.393 2.083 20 10 DECDHN COc1c([O-])c(C[N@@H+](C)C[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000278323691 402862940 /nfs/dbraw/zinc/86/29/40/402862940.db2.gz YNNGFMAIZSUWLX-GFCCVEGCSA-N 0 3 323.393 2.083 20 10 DECDHN COc1c([O-])c(CN(C)C[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000278323691 402862942 /nfs/dbraw/zinc/86/29/42/402862942.db2.gz YNNGFMAIZSUWLX-GFCCVEGCSA-N 0 3 323.393 2.083 20 10 DECDHN COc1c([O-])c(CN(C)C[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000278323691 402862944 /nfs/dbraw/zinc/86/29/44/402862944.db2.gz YNNGFMAIZSUWLX-GFCCVEGCSA-N 0 3 323.393 2.083 20 10 DECDHN CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cccc(C)c1[O-])CC2 ZINC000271813460 402884533 /nfs/dbraw/zinc/88/45/33/402884533.db2.gz MHEDKCAMPJETOB-HZPDHXFCSA-N 0 3 305.418 2.453 20 10 DECDHN CC(C)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCS(=O)(=O)C1 ZINC000279887047 402965211 /nfs/dbraw/zinc/96/52/11/402965211.db2.gz DBAVSSQYIXPRLP-INIZCTEOSA-N 0 3 324.490 2.398 20 10 DECDHN C[N@H+](CCOCCO)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000282792810 403159780 /nfs/dbraw/zinc/15/97/80/403159780.db2.gz RJVNOWHNALHSMV-UHFFFAOYSA-N 0 3 301.386 2.500 20 10 DECDHN C[N@@H+](CCOCCO)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000282792810 403159784 /nfs/dbraw/zinc/15/97/84/403159784.db2.gz RJVNOWHNALHSMV-UHFFFAOYSA-N 0 3 301.386 2.500 20 10 DECDHN COc1ccc([O-])c(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c1 ZINC000282989291 403164878 /nfs/dbraw/zinc/16/48/78/403164878.db2.gz JWESEYCFBQSZIL-CXAGYDPISA-N 0 3 321.417 2.058 20 10 DECDHN CCOc1cccc(C[NH2+]CCCN2CCCO[C@@H](C)C2)c1[O-] ZINC000277609762 403236247 /nfs/dbraw/zinc/23/62/47/403236247.db2.gz APCBRTXCMLVWDB-HNNXBMFYSA-N 0 3 322.449 2.381 20 10 DECDHN CN(C)c1ccc(CN2CCC[C@@H](Cn3ccnn3)C2)cc1F ZINC000271235896 403282446 /nfs/dbraw/zinc/28/24/46/403282446.db2.gz AWDCLCPYFHNINU-OAHLLOKOSA-N 0 3 317.412 2.395 20 10 DECDHN Cc1ccc([O-])c(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c1 ZINC000285416424 403290970 /nfs/dbraw/zinc/29/09/70/403290970.db2.gz GFENBPSISZSBML-AWEZNQCLSA-N 0 3 318.339 2.053 20 10 DECDHN Cc1ccc(O)c(CNC[C@H](N2CCOCC2)C(F)(F)F)c1 ZINC000285416424 403290976 /nfs/dbraw/zinc/29/09/76/403290976.db2.gz GFENBPSISZSBML-AWEZNQCLSA-N 0 3 318.339 2.053 20 10 DECDHN CCn1cc([C@H](C)NCc2cc(OC)c(OC)cc2O)cn1 ZINC000294867991 403736762 /nfs/dbraw/zinc/73/67/62/403736762.db2.gz PAIVCSUTNCYFJW-NSHDSACASA-N 0 3 305.378 2.477 20 10 DECDHN CNC(=O)OC[C@@H]1CCCCN1Cc1cc(OC)ccc1O ZINC000290277589 404108461 /nfs/dbraw/zinc/10/84/61/404108461.db2.gz YRPKGRMOQUKLTK-ZDUSSCGKSA-N 0 3 308.378 2.111 20 10 DECDHN Cc1cc(O)c(CN[C@H]2CCCc3c2cnn3CCO)cc1C ZINC000363263808 404135123 /nfs/dbraw/zinc/13/51/23/404135123.db2.gz BVEVFCDUWDEWJX-INIZCTEOSA-N 0 3 315.417 2.365 20 10 DECDHN Cc1cc([O-])c(C[NH2+][C@H]2CCCc3c2cnn3CCO)cc1C ZINC000363263808 404135132 /nfs/dbraw/zinc/13/51/32/404135132.db2.gz BVEVFCDUWDEWJX-INIZCTEOSA-N 0 3 315.417 2.365 20 10 DECDHN O=C1[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCN1CC(F)(F)F ZINC000296781362 404318330 /nfs/dbraw/zinc/31/83/30/404318330.db2.gz KTONIFSEFFBROO-QWRGUYRKSA-N 0 3 314.307 2.132 20 10 DECDHN CS(=O)(=O)C[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000291799504 404527383 /nfs/dbraw/zinc/52/73/83/404527383.db2.gz BTXGLNVDVIZHFK-ZDUSSCGKSA-N 0 3 319.426 2.412 20 10 DECDHN CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000291799504 404527386 /nfs/dbraw/zinc/52/73/86/404527386.db2.gz BTXGLNVDVIZHFK-ZDUSSCGKSA-N 0 3 319.426 2.412 20 10 DECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1 ZINC000367729936 405137421 /nfs/dbraw/zinc/13/74/21/405137421.db2.gz QULLFPIQKDJFHW-CYBMUJFWSA-N 0 3 301.390 2.199 20 10 DECDHN COc1ccc([O-])c(C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1 ZINC000367729936 405137426 /nfs/dbraw/zinc/13/74/26/405137426.db2.gz QULLFPIQKDJFHW-CYBMUJFWSA-N 0 3 301.390 2.199 20 10 DECDHN CC[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1ccccc1[O-] ZINC000363712710 332227364 /nfs/dbraw/zinc/22/73/64/332227364.db2.gz KHMFLUTXALOVLU-CZUORRHYSA-N 0 3 300.406 2.445 20 10 DECDHN CC[C@@H](CO)N1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835029263 649869187 /nfs/dbraw/zinc/86/91/87/649869187.db2.gz RWODLWNBRZDIOP-QWNKOJSDSA-N 0 3 317.477 2.154 20 10 DECDHN CCN(CC)c1ccc(CN2CCC(C(N)=O)CC2)cc1F ZINC000158599492 520892142 /nfs/dbraw/zinc/89/21/42/520892142.db2.gz LJVKQTRTZUOFKQ-UHFFFAOYSA-N 0 3 307.413 2.369 20 10 DECDHN CCN(CC)c1ccc(CNC2(CO)CCOCC2)cc1F ZINC000265815686 520904950 /nfs/dbraw/zinc/90/49/50/520904950.db2.gz WNMYSZKUPXVVRZ-UHFFFAOYSA-N 0 3 310.413 2.303 20 10 DECDHN CN(C)C/C=C/C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000265630485 524034155 /nfs/dbraw/zinc/03/41/55/524034155.db2.gz JGGOSUNZGLKBLC-AATRIKPKSA-N 0 3 301.434 2.361 20 10 DECDHN Cc1ccc(C(=O)NCC[C@H](C)[NH+]2CCCCC2)c([O-])c1O ZINC000182262015 526171197 /nfs/dbraw/zinc/17/11/97/526171197.db2.gz JEAJUJUQJLCMRI-ZDUSSCGKSA-N 0 3 306.406 2.401 20 10 DECDHN Cn1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000267121935 527359152 /nfs/dbraw/zinc/35/91/52/527359152.db2.gz UCNJUCJZVIGWIR-UHFFFAOYSA-N 0 3 303.381 2.291 20 10 DECDHN O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)n1 ZINC000365113852 527407281 /nfs/dbraw/zinc/40/72/81/527407281.db2.gz BBYCDUUZSNEYEQ-UHFFFAOYSA-N 0 3 320.324 2.473 20 10 DECDHN CC[C@@H]([NH2+]C[C@@H](C)N1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000285524993 535804476 /nfs/dbraw/zinc/80/44/76/535804476.db2.gz BJUCVDVYJXIZGO-CZUORRHYSA-N 0 3 309.429 2.208 20 10 DECDHN C[C@@H]1OCC[C@H]1N(C/C=C\c1ccc(N(C)C)cc1)CCO ZINC000835055684 649872987 /nfs/dbraw/zinc/87/29/87/649872987.db2.gz XLVKTDFAUPHBKP-UGZKAYFTSA-N 0 3 304.434 2.238 20 10 DECDHN COc1cccc(CN[C@@H](C)C(=O)Nc2cccnc2C)c1O ZINC000835071671 649874975 /nfs/dbraw/zinc/87/49/75/649874975.db2.gz SBLYUILUSCKWRB-LBPRGKRZSA-N 0 3 315.373 2.221 20 10 DECDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCC[C@H]2O)c1[O-] ZINC000835080920 649876423 /nfs/dbraw/zinc/87/64/23/649876423.db2.gz ZTTDBKSDYUANPU-GHMZBOCLSA-N 0 3 316.195 2.166 20 10 DECDHN Cc1cc(N(C)C)ccc1CN1CCN(C[C@@H]2CCCO2)CC1 ZINC000840910675 625577541 /nfs/dbraw/zinc/57/75/41/625577541.db2.gz WLCNBYIUBCUZJW-IBGZPJMESA-N 0 3 317.477 2.358 20 10 DECDHN CO[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(C)C ZINC000891248352 623792767 /nfs/dbraw/zinc/79/27/67/623792767.db2.gz KYHJESYIYKCQKN-IRXDYDNUSA-N 0 3 321.465 2.143 20 10 DECDHN Cc1c[nH]cc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251301 623797387 /nfs/dbraw/zinc/79/73/87/623797387.db2.gz BQQVTMJKRSIMPI-KRWDZBQOSA-N 0 3 314.433 2.422 20 10 DECDHN CCOCCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254951 623800451 /nfs/dbraw/zinc/80/04/51/623800451.db2.gz KRJINKKHNLSFRM-QGZVFWFLSA-N 0 3 321.465 2.288 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)c2cccnc2)N(C)C)cc1 ZINC000891256946 623803846 /nfs/dbraw/zinc/80/38/46/623803846.db2.gz CDWCBYOVWWPKBJ-KRWDZBQOSA-N 0 3 312.417 2.180 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)NC(C)(C)C)N(C)C)cc1 ZINC000005097876 634948553 /nfs/dbraw/zinc/94/85/53/634948553.db2.gz RAOZHYJIOZYRJW-OAHLLOKOSA-N 0 3 306.454 2.453 20 10 DECDHN C[C@H](NCc1c2c(nn1C)CCOC2)c1ccc(N(C)C)cc1 ZINC000922016076 635810389 /nfs/dbraw/zinc/81/03/89/635810389.db2.gz XFCNSWRUYKGGCC-ZDUSSCGKSA-N 0 3 314.433 2.410 20 10 DECDHN O=C1[C@H](NCc2ccc3c(c2)CCCO3)C[C@H]2CCCCN12 ZINC000922171901 635964977 /nfs/dbraw/zinc/96/49/77/635964977.db2.gz KWFDFSAFIGTZHX-HZPDHXFCSA-N 0 3 300.402 2.255 20 10 DECDHN O=C(NCc1c([O-])cccc1F)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000923128976 636983892 /nfs/dbraw/zinc/98/38/92/636983892.db2.gz OTFQUWPWUAFSQW-HUUCEWRRSA-N 0 3 321.396 2.347 20 10 DECDHN O=C(NCc1c([O-])cccc1F)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000923128976 636983898 /nfs/dbraw/zinc/98/38/98/636983898.db2.gz OTFQUWPWUAFSQW-HUUCEWRRSA-N 0 3 321.396 2.347 20 10 DECDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000923260969 637061679 /nfs/dbraw/zinc/06/16/79/637061679.db2.gz LXRQAPJZQLDTKG-UONOGXRCSA-N 0 3 315.377 2.158 20 10 DECDHN COc1cc(C)cc(CN[C@@H](CC(N)=O)c2ccccc2)c1O ZINC000894863819 637272028 /nfs/dbraw/zinc/27/20/28/637272028.db2.gz VRCHXAHWIIXVFZ-HNNXBMFYSA-N 0 3 314.385 2.416 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@H+](C)[C@H]3CCN(C)C3=O)c2c1 ZINC000738265670 637409664 /nfs/dbraw/zinc/40/96/64/637409664.db2.gz JFWAZOQCWAYNFH-INIZCTEOSA-N 0 3 314.385 2.217 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@@H+](C)[C@H]3CCN(C)C3=O)c2c1 ZINC000738265670 637409667 /nfs/dbraw/zinc/40/96/67/637409667.db2.gz JFWAZOQCWAYNFH-INIZCTEOSA-N 0 3 314.385 2.217 20 10 DECDHN CCOC[C@@H](C)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146669 637789312 /nfs/dbraw/zinc/78/93/12/637789312.db2.gz QEFUUGJUQCQWMI-GFCCVEGCSA-N 0 3 314.376 2.316 20 10 DECDHN Cc1cc(N(C)C)ccc1CN1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000840941423 650391503 /nfs/dbraw/zinc/39/15/03/650391503.db2.gz WRWFGEUHMROWOM-MAUKXSAKSA-N 0 3 304.434 2.441 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2C=CCC2)N(C)C)cc1 ZINC000895719441 638164442 /nfs/dbraw/zinc/16/44/42/638164442.db2.gz RXRSGVLGQAETRO-DOTOQJQBSA-N 0 3 316.449 2.373 20 10 DECDHN CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](Cc3ccc(OCC)cc3[O-])C[C@@H]21 ZINC000896448933 638518763 /nfs/dbraw/zinc/51/87/63/638518763.db2.gz SXXGNKCNARPVBB-HLLBOEOZSA-N 0 3 319.401 2.422 20 10 DECDHN CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](Cc3ccc(OCC)cc3[O-])C[C@@H]21 ZINC000896448933 638518768 /nfs/dbraw/zinc/51/87/68/638518768.db2.gz SXXGNKCNARPVBB-HLLBOEOZSA-N 0 3 319.401 2.422 20 10 DECDHN CC(C)OCCN1CCC(NC(=O)Nc2ccc(N)cc2)CC1 ZINC000841299162 650471161 /nfs/dbraw/zinc/47/11/61/650471161.db2.gz GODWFWMUJXFEOM-UHFFFAOYSA-N 0 3 320.437 2.280 20 10 DECDHN COc1cccc([O-])c1C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000753594396 639318788 /nfs/dbraw/zinc/31/87/88/639318788.db2.gz BPFOWKPLZVQJTL-UHFFFAOYSA-N 0 3 307.390 2.030 20 10 DECDHN COc1cccc([O-])c1C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000753594396 639318794 /nfs/dbraw/zinc/31/87/94/639318794.db2.gz BPFOWKPLZVQJTL-UHFFFAOYSA-N 0 3 307.390 2.030 20 10 DECDHN Cc1cc(Br)cc(C[NH2+][C@H]2C[C@H](CO)C2)c1[O-] ZINC000897358154 639641430 /nfs/dbraw/zinc/64/14/30/639641430.db2.gz RZEHLVIFWHOUPZ-OTCDBFHCSA-N 0 3 300.196 2.324 20 10 DECDHN C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cnn(C)c2)c2c1c(F)ccc2[O-] ZINC000756608432 639678860 /nfs/dbraw/zinc/67/88/60/639678860.db2.gz BMJHMLHMOWVIMU-IUPBHXKESA-N 0 3 305.353 2.136 20 10 DECDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(N)=O)nc2)c2c1c(F)ccc2[O-] ZINC000756641713 639680845 /nfs/dbraw/zinc/68/08/45/639680845.db2.gz YLUXRAKTJSWGBG-NOZJJQNGSA-N 0 3 315.348 2.363 20 10 DECDHN C[C@H](CN1CCN(C)CC1)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841762454 650559020 /nfs/dbraw/zinc/55/90/20/650559020.db2.gz JPPOKNDXZJGQTL-CHWSQXEVSA-N 0 3 311.857 2.332 20 10 DECDHN CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000761215492 640286007 /nfs/dbraw/zinc/28/60/07/640286007.db2.gz MESUKSPFJYXDQN-NWDGAFQWSA-N 0 3 312.797 2.059 20 10 DECDHN CN(C)C1(C(=O)NCc2ccc(N3CCCC3)cc2)CCC1 ZINC000763025418 640492811 /nfs/dbraw/zinc/49/28/11/640492811.db2.gz RPYYQXIOKISJQG-UHFFFAOYSA-N 0 3 301.434 2.387 20 10 DECDHN COc1ccc(O)c(CNCc2ccccc2C(=O)N(C)C)c1 ZINC000841863946 650585051 /nfs/dbraw/zinc/58/50/51/650585051.db2.gz OLYTXZDYNPLZFD-UHFFFAOYSA-N 0 3 314.385 2.392 20 10 DECDHN C[C@@H]1CN(CCO)[C@@H](C)CN1C/C=C\c1ccc(N(C)C)cc1 ZINC000841892202 650595790 /nfs/dbraw/zinc/59/57/90/650595790.db2.gz VBQIXCQXDUAGKJ-DJAVDHGHSA-N 0 3 317.477 2.153 20 10 DECDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NCC(F)(F)F ZINC000765386029 640771676 /nfs/dbraw/zinc/77/16/76/640771676.db2.gz QYIFDTUPSLIECS-WDEREUQCSA-N 0 3 317.355 2.470 20 10 DECDHN COc1cc(CN[C@]2(C)CCNC2=O)c(O)c(C(C)(C)C)c1 ZINC000897870145 640957531 /nfs/dbraw/zinc/95/75/31/640957531.db2.gz YGMPYHIKOAMBFC-QGZVFWFLSA-N 0 3 306.406 2.067 20 10 DECDHN CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)C1(C)C ZINC000768444533 641082908 /nfs/dbraw/zinc/08/29/08/641082908.db2.gz AIZKMIJTQDGLNL-BHYGNILZSA-N 0 3 321.417 2.453 20 10 DECDHN CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)C1(C)C ZINC000768444533 641082910 /nfs/dbraw/zinc/08/29/10/641082910.db2.gz AIZKMIJTQDGLNL-BHYGNILZSA-N 0 3 321.417 2.453 20 10 DECDHN Cc1cccc(CN(CCO)CCNC(=O)OC(C)(C)C)c1O ZINC000768532164 641093871 /nfs/dbraw/zinc/09/38/71/641093871.db2.gz MKHZVOSIHRKTDD-UHFFFAOYSA-N 0 3 324.421 2.020 20 10 DECDHN C[C@@H](NCc1cnc(N(C)C)n1C)c1ccc(N(C)C)cc1 ZINC000842205537 650670754 /nfs/dbraw/zinc/67/07/54/650670754.db2.gz HIJXXGCNELXBEO-CYBMUJFWSA-N 0 3 301.438 2.403 20 10 DECDHN CC(C)[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CCO1 ZINC000779149531 642467841 /nfs/dbraw/zinc/46/78/41/642467841.db2.gz FPBBYSKPDXIOIN-LJQANCHMSA-N 0 3 317.477 2.295 20 10 DECDHN C[C@@H](O)[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000780892576 642685319 /nfs/dbraw/zinc/68/53/19/642685319.db2.gz MBWHWBSUAMFPHE-GDBMZVCRSA-N 0 3 322.424 2.255 20 10 DECDHN Oc1cc2c(cc1CN1CCC[C@H](OC(F)F)C1)[C@H](O)CO2 ZINC000781150516 642719613 /nfs/dbraw/zinc/71/96/13/642719613.db2.gz DWFMSEJKTDMQDL-GXFFZTMASA-N 0 3 315.316 2.022 20 10 DECDHN C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)C1=CCN(C)CC1 ZINC000781161745 642721820 /nfs/dbraw/zinc/72/18/20/642721820.db2.gz UGPMJLMNUDJXFM-AWEZNQCLSA-N 0 3 316.449 2.202 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](c3cccnc3)C1)[C@@H](O)CO2 ZINC000842625038 650785958 /nfs/dbraw/zinc/78/59/58/650785958.db2.gz HSUCDLBWLVUBFT-GUYCJALGSA-N 0 3 312.369 2.203 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](c3cccnc3)C1)[C@@H](O)CO2 ZINC000842625038 650785960 /nfs/dbraw/zinc/78/59/60/650785960.db2.gz HSUCDLBWLVUBFT-GUYCJALGSA-N 0 3 312.369 2.203 20 10 DECDHN Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@H](C)c1cn(C)nn1 ZINC000903024067 643228746 /nfs/dbraw/zinc/22/87/46/643228746.db2.gz KDWGEOPZLRDRIY-ZIAGYGMSSA-N 0 3 301.438 2.471 20 10 DECDHN C[C@H]([NH2+]C[C@@]1(c2cnn(C)c2)CCCO1)c1ccccc1[O-] ZINC000903355819 643325382 /nfs/dbraw/zinc/32/53/82/643325382.db2.gz KJRWEBMLBNYFHB-SUMWQHHRSA-N 0 3 301.390 2.482 20 10 DECDHN O=C(NCCCSc1nccs1)[C@H]1CCCN1C1CC1 ZINC000787350145 643484861 /nfs/dbraw/zinc/48/48/61/643484861.db2.gz XJTVGVFQGUJFNK-GFCCVEGCSA-N 0 3 311.476 2.368 20 10 DECDHN COC(=O)[C@@H]1[C@@H](CN(C)Cc2ccc(N(C)C)cc2)C1(F)F ZINC000787769363 643540144 /nfs/dbraw/zinc/54/01/44/643540144.db2.gz DWEVJHFILMCEHT-KGLIPLIRSA-N 0 3 312.360 2.239 20 10 DECDHN COCC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@H]1CC[C@@H](C)C1 ZINC000790481641 643858210 /nfs/dbraw/zinc/85/82/10/643858210.db2.gz YABNFBGRFXNXQQ-IFIJOSMWSA-N 0 3 321.417 2.455 20 10 DECDHN COCC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@H]1CC[C@@H](C)C1 ZINC000790481641 643858213 /nfs/dbraw/zinc/85/82/13/643858213.db2.gz YABNFBGRFXNXQQ-IFIJOSMWSA-N 0 3 321.417 2.455 20 10 DECDHN COc1cccc(O)c1CN1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000790932336 643911265 /nfs/dbraw/zinc/91/12/65/643911265.db2.gz NTNOEKDGGWOYCP-DCGLDWPTSA-N 0 3 307.390 2.169 20 10 DECDHN CC1(C)CN(Cc2c([O-])ccc(Cl)c2F)CC[N@@H+]1CCO ZINC000792179760 644085377 /nfs/dbraw/zinc/08/53/77/644085377.db2.gz MOWNEOCHJMECQE-UHFFFAOYSA-N 0 3 316.804 2.073 20 10 DECDHN CC1(C)CN(Cc2c([O-])ccc(Cl)c2F)CC[N@H+]1CCO ZINC000792179760 644085381 /nfs/dbraw/zinc/08/53/81/644085381.db2.gz MOWNEOCHJMECQE-UHFFFAOYSA-N 0 3 316.804 2.073 20 10 DECDHN COc1cc(C)cc(CN2C[C@@]3(CCOC3)OC(C)(C)C2)c1O ZINC000794693635 644461387 /nfs/dbraw/zinc/46/13/87/644461387.db2.gz GTWIMZRSQPMWPJ-GOSISDBHSA-N 0 3 321.417 2.479 20 10 DECDHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CN(C)C(C)C ZINC000839917780 645296323 /nfs/dbraw/zinc/29/63/23/645296323.db2.gz IANQGLQGHZXFFF-HNNXBMFYSA-N 0 3 305.466 2.448 20 10 DECDHN CCCCN(CC(=O)N1CCO[C@@H](C)C1)Cc1ccccc1O ZINC000801595138 645421133 /nfs/dbraw/zinc/42/11/33/645421133.db2.gz WCSCYGZFLFYZDR-HNNXBMFYSA-N 0 3 320.433 2.242 20 10 DECDHN CC(C)[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCCO1 ZINC000840098924 645960808 /nfs/dbraw/zinc/96/08/08/645960808.db2.gz XSRRIZRIYSCXRY-RDJZCZTQSA-N 0 3 307.390 2.065 20 10 DECDHN CC(C)[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCCO1 ZINC000840098924 645960813 /nfs/dbraw/zinc/96/08/13/645960813.db2.gz XSRRIZRIYSCXRY-RDJZCZTQSA-N 0 3 307.390 2.065 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](CC(N)=O)C3)c2c1 ZINC000808228093 646058734 /nfs/dbraw/zinc/05/87/34/646058734.db2.gz FVNFGEVHCJTGPZ-GFCCVEGCSA-N 0 3 314.385 2.251 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](CC(N)=O)C3)c2c1 ZINC000808228093 646058740 /nfs/dbraw/zinc/05/87/40/646058740.db2.gz FVNFGEVHCJTGPZ-GFCCVEGCSA-N 0 3 314.385 2.251 20 10 DECDHN CCS(=O)(=O)CC[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808692860 646129442 /nfs/dbraw/zinc/12/94/42/646129442.db2.gz WBGMMHMHBGJWRK-SNVBAGLBSA-N 0 3 305.827 2.439 20 10 DECDHN CC(C)S(=O)(=O)CC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000808725789 646132913 /nfs/dbraw/zinc/13/29/13/646132913.db2.gz FEJJWOWRXLVOJR-PWSUYJOCSA-N 0 3 315.410 2.492 20 10 DECDHN COc1cc(Cl)cc(CN(C)[C@H](CO)COC(C)C)c1O ZINC000809768070 646280565 /nfs/dbraw/zinc/28/05/65/646280565.db2.gz BJIJZWMAAWAHLM-CYBMUJFWSA-N 0 3 317.813 2.272 20 10 DECDHN COc1cc(Cl)cc(C[N@H+](C)[C@H](CO)COC(C)C)c1[O-] ZINC000809768070 646280572 /nfs/dbraw/zinc/28/05/72/646280572.db2.gz BJIJZWMAAWAHLM-CYBMUJFWSA-N 0 3 317.813 2.272 20 10 DECDHN COc1cc(Cl)cc(C[N@@H+](C)[C@H](CO)COC(C)C)c1[O-] ZINC000809768070 646280574 /nfs/dbraw/zinc/28/05/74/646280574.db2.gz BJIJZWMAAWAHLM-CYBMUJFWSA-N 0 3 317.813 2.272 20 10 DECDHN CC1(C)CN(Cc2cc3c(cc2O)OC[C@@H]3O)[C@@H]1[C@@H]1CCCO1 ZINC000811779289 646575262 /nfs/dbraw/zinc/57/52/62/646575262.db2.gz OPYGWAYTEMLITH-YQQAZPJKSA-N 0 3 319.401 2.207 20 10 DECDHN CSC1(CNC(=O)c2cc([O-])cs2)CC[NH+](C)CC1 ZINC000812255296 646621884 /nfs/dbraw/zinc/62/18/84/646621884.db2.gz FVVQLAIRBAKSAP-UHFFFAOYSA-N 0 3 300.449 2.011 20 10 DECDHN CSC1(CNC(=O)C2=CC(=O)CS2)CCN(C)CC1 ZINC000812255296 646621886 /nfs/dbraw/zinc/62/18/86/646621886.db2.gz FVVQLAIRBAKSAP-UHFFFAOYSA-N 0 3 300.449 2.011 20 10 DECDHN COc1ccc(O)c(CN2CCC(OC(=O)N(C)C)CC2)c1 ZINC000816655124 647163557 /nfs/dbraw/zinc/16/35/57/647163557.db2.gz RLTUHFJNUJXAHP-UHFFFAOYSA-N 0 3 308.378 2.063 20 10 DECDHN Cc1cc(Cl)cc(C[NH2+]CCCCS(C)(=O)=O)c1[O-] ZINC000822494204 648218875 /nfs/dbraw/zinc/21/88/75/648218875.db2.gz JHUOBRUQUJPSRD-UHFFFAOYSA-N 0 3 305.827 2.268 20 10 DECDHN CCC[NH+]1CCC(NC(=O)NCc2c([O-])cccc2F)CC1 ZINC000920506894 648232531 /nfs/dbraw/zinc/23/25/31/648232531.db2.gz MOUFQQOLGWLEGV-UHFFFAOYSA-N 0 3 309.385 2.205 20 10 DECDHN CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC000921427125 648312203 /nfs/dbraw/zinc/31/22/03/648312203.db2.gz YEVNGWNTZZTWLK-CYBMUJFWSA-N 0 3 323.412 2.308 20 10 DECDHN CC(C)C[N@H+]1CC[C@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC000921427125 648312208 /nfs/dbraw/zinc/31/22/08/648312208.db2.gz YEVNGWNTZZTWLK-CYBMUJFWSA-N 0 3 323.412 2.308 20 10 DECDHN CC(C)N1CCC[C@@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000823180702 648369482 /nfs/dbraw/zinc/36/94/82/648369482.db2.gz AEIWDEHHUNPDAZ-OAHLLOKOSA-N 0 3 313.401 2.429 20 10 DECDHN CC[C@@H](C)N(C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000068450224 648466189 /nfs/dbraw/zinc/46/61/89/648466189.db2.gz QAJMQQXGYKWQMF-OAHLLOKOSA-N 0 3 319.449 2.074 20 10 DECDHN CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)C(C)C ZINC000824844810 648661046 /nfs/dbraw/zinc/66/10/46/648661046.db2.gz CZRNLXGYQKZTMJ-DYVFJYSZSA-N 0 3 309.406 2.500 20 10 DECDHN CCOc1ccc(O)c(CN2CCC[C@@H](NC(=O)N(C)C)C2)c1 ZINC000825279184 648735756 /nfs/dbraw/zinc/73/57/56/648735756.db2.gz PPLCMJIMPHHWOT-CQSZACIVSA-N 0 3 321.421 2.027 20 10 DECDHN CC[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)C(=O)NC ZINC000825315473 648740536 /nfs/dbraw/zinc/74/05/36/648740536.db2.gz BQLJELPAGXDJIR-CYBMUJFWSA-N 0 3 317.355 2.386 20 10 DECDHN CC(C)(C)OC(=O)[C@]12COC[C@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC000827094953 648970677 /nfs/dbraw/zinc/97/06/77/648970677.db2.gz WWJXFNCULUQRFX-RDTXWAMCSA-N 0 3 319.401 2.182 20 10 DECDHN CC(C)(C)OC(=O)[C@]12COC[C@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC000827094953 648970680 /nfs/dbraw/zinc/97/06/80/648970680.db2.gz WWJXFNCULUQRFX-RDTXWAMCSA-N 0 3 319.401 2.182 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]CCc2cncc(C)n2)c1[O-] ZINC000827384891 649027535 /nfs/dbraw/zinc/02/75/35/649027535.db2.gz ZLPKUMNRHCOAOM-UHFFFAOYSA-N 0 3 307.781 2.485 20 10 DECDHN [O-]c1ccc(Cl)cc1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000827701023 649071048 /nfs/dbraw/zinc/07/10/48/649071048.db2.gz ZMKYOKGYURGEEU-HNNXBMFYSA-N 0 3 310.825 2.077 20 10 DECDHN [O-]c1ccc(Cl)cc1CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000827701023 649071055 /nfs/dbraw/zinc/07/10/55/649071055.db2.gz ZMKYOKGYURGEEU-HNNXBMFYSA-N 0 3 310.825 2.077 20 10 DECDHN COc1ccc(O)c([C@H](C)NCc2cnc(N(C)C)nc2)c1 ZINC000845972359 651298810 /nfs/dbraw/zinc/29/88/10/651298810.db2.gz NNGBZRMKPXCHPW-NSHDSACASA-N 0 3 302.378 2.108 20 10 DECDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCNC2=O)c1[O-] ZINC000850481034 651937028 /nfs/dbraw/zinc/93/70/28/651937028.db2.gz GUOWMDHBXIXEFW-KCJUWKMLSA-N 0 3 313.195 2.002 20 10 DECDHN C[C@@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)c1cc(F)ccc1[O-] ZINC000850558047 651953053 /nfs/dbraw/zinc/95/30/53/651953053.db2.gz SGTBBLOEAVXDCA-DOMZBBRYSA-N 0 3 308.397 2.435 20 10 DECDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2C[C@H](O)C2)c1[O-] ZINC000850578918 651956717 /nfs/dbraw/zinc/95/67/17/651956717.db2.gz PMMJBGMDYZBDMQ-SZEHBUNVSA-N 0 3 316.195 2.337 20 10 DECDHN C[C@@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1CO ZINC000857061952 652043005 /nfs/dbraw/zinc/04/30/05/652043005.db2.gz XBYDQIITYPTOSJ-GDBMZVCRSA-N 0 3 322.424 2.113 20 10 DECDHN Cn1nccc1[C@@H](O)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000857063445 652044564 /nfs/dbraw/zinc/04/45/64/652044564.db2.gz TUCXBVOBTGXVAH-KRWDZBQOSA-N 0 3 319.380 2.210 20 10 DECDHN CN(C)c1cc(F)c(CNCC2(C(N)=O)CCCC2)cc1F ZINC000858139115 652264071 /nfs/dbraw/zinc/26/40/71/652264071.db2.gz OOWYHIZDISZNFT-UHFFFAOYSA-N 0 3 311.376 2.166 20 10 DECDHN COc1ccc(N2CCCN(c3ccnc(CO)c3)CC2)cc1 ZINC000858357004 652316473 /nfs/dbraw/zinc/31/64/73/652316473.db2.gz JUZOYEWSKATMLA-UHFFFAOYSA-N 0 3 313.401 2.299 20 10 DECDHN CC[C@@](C)(O)C[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000111384753 652561867 /nfs/dbraw/zinc/56/18/67/652561867.db2.gz BLBOXCIBSDWGOM-CYBMUJFWSA-N 0 3 318.211 2.414 20 10 DECDHN O=S1(=O)CCC[C@@H]1CNCc1ccc(N2CCCCC2)cc1 ZINC000126951039 684158863 /nfs/dbraw/zinc/15/88/63/684158863.db2.gz QHDXTHDSSLACGR-QGZVFWFLSA-N 0 3 322.474 2.344 20 10 DECDHN CN1CCc2cc([C@@H]3NC(=N)Nc4nc5ccccc5n43)ccc21 ZINC000130152703 684185831 /nfs/dbraw/zinc/18/58/31/684185831.db2.gz OCENSHXAUFUZLS-MRXNPFEDSA-N 0 3 318.384 2.125 20 10 DECDHN CCOc1ccc(CN[C@@](C)(CO)c2cccc(O)c2)c(O)c1 ZINC000862432489 686301979 /nfs/dbraw/zinc/30/19/79/686301979.db2.gz FUAOHBPWHBCLNH-SFHVURJKSA-N 0 3 317.385 2.494 20 10 DECDHN CN(C)c1ccc(CNCc2cnc3c(cnn3C)c2)cc1F ZINC000865437463 687210533 /nfs/dbraw/zinc/21/05/33/687210533.db2.gz NKMTVSAHIRUVPK-UHFFFAOYSA-N 0 3 313.380 2.463 20 10 DECDHN CCOC(=O)/C=C/CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000930210604 694113551 /nfs/dbraw/zinc/11/35/51/694113551.db2.gz PDQDQMCHMRMWEI-RGDDUWESSA-N 0 3 318.417 2.293 20 10 DECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000877435401 690112566 /nfs/dbraw/zinc/11/25/66/690112566.db2.gz DYUWQCMZWYCHDZ-NSHDSACASA-N 0 3 316.323 2.201 20 10 DECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000877435401 690112568 /nfs/dbraw/zinc/11/25/68/690112568.db2.gz DYUWQCMZWYCHDZ-NSHDSACASA-N 0 3 316.323 2.201 20 10 DECDHN COc1ccc(O)c(CN2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1 ZINC000877693691 690193731 /nfs/dbraw/zinc/19/37/31/690193731.db2.gz NZNADXUHVCDUCL-CMPLNLGQSA-N 0 3 305.296 2.003 20 10 DECDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)C[C@H](O)c1ccccc1 ZINC000878241917 690355550 /nfs/dbraw/zinc/35/55/50/690355550.db2.gz KGNDOSFUQBIHSS-WMZOPIPTSA-N 0 3 301.386 2.309 20 10 DECDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)C[C@H](O)c1ccccc1 ZINC000878241917 690355554 /nfs/dbraw/zinc/35/55/54/690355554.db2.gz KGNDOSFUQBIHSS-WMZOPIPTSA-N 0 3 301.386 2.309 20 10 DECDHN Cc1nc(CNCc2ccc(N3CCN(C)CC3)cc2)[nH]c1C ZINC000883283430 691471676 /nfs/dbraw/zinc/47/16/76/691471676.db2.gz FLCYZAPDKVEFEL-UHFFFAOYSA-N 0 3 313.449 2.068 20 10 DECDHN CS(=O)(=O)[C@H]1C[C@H](NCc2ccc(N3CCCCC3)cc2)C1 ZINC000883378737 691494108 /nfs/dbraw/zinc/49/41/08/691494108.db2.gz WTVIOCPDTDRVMO-JCNLHEQBSA-N 0 3 322.474 2.342 20 10 DECDHN COc1cccc([O-])c1C[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000886238813 692033933 /nfs/dbraw/zinc/03/39/33/692033933.db2.gz JDPKXWJBNMENCZ-AWEZNQCLSA-N 0 3 305.349 2.233 20 10 DECDHN C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@H](O)CO ZINC001332697773 1149881371 /nfs/dbraw/zinc/88/13/71/1149881371.db2.gz MAVHSIXQJOOJQD-PBHICJAKSA-N 0 3 301.386 2.309 20 10 DECDHN CN(C)Cc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001440817211 1181709930 /nfs/dbraw/zinc/70/99/30/1181709930.db2.gz PLYIZPUCMYGWAH-UHFFFAOYSA-N 0 3 300.358 2.341 20 10 DECDHN CCOC(=O)[C@H]1CC[C@@H]([N@H+](CC)Cc2ccccc2[O-])CO1 ZINC001169411375 785183394 /nfs/dbraw/zinc/18/33/94/785183394.db2.gz SFQVMOHTXIMRPM-GDBMZVCRSA-N 0 3 307.390 2.325 20 10 DECDHN CCOC(=O)[C@H]1CC[C@@H]([N@@H+](CC)Cc2ccccc2[O-])CO1 ZINC001169411375 785183396 /nfs/dbraw/zinc/18/33/96/785183396.db2.gz SFQVMOHTXIMRPM-GDBMZVCRSA-N 0 3 307.390 2.325 20 10 DECDHN CCOc1ccc(N2CCN(CCC(=O)N(C)CC)CC2)cc1 ZINC001116417630 794955627 /nfs/dbraw/zinc/95/56/27/794955627.db2.gz MBLPIKCFBKIIAX-UHFFFAOYSA-N 0 3 319.449 2.076 20 10 DECDHN COCC[C@]1(NCc2cc(F)c(N(C)C)cc2F)CCOC1 ZINC001118804368 795228343 /nfs/dbraw/zinc/22/83/43/795228343.db2.gz INILATDHWVBOJQ-INIZCTEOSA-N 0 3 314.376 2.316 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)NC(C)(C)CF)N(C)C)cc1 ZINC001119990907 795384514 /nfs/dbraw/zinc/38/45/14/795384514.db2.gz YWGIZJCCTUABMX-OAHLLOKOSA-N 0 3 324.444 2.403 20 10 DECDHN CN1CCCc2cc(CN3CCC[C@H](n4cncn4)C3)ccc21 ZINC001138356370 796204394 /nfs/dbraw/zinc/20/43/94/796204394.db2.gz MZHQUFODSPCCCQ-KRWDZBQOSA-N 0 3 311.433 2.498 20 10 DECDHN CC(=O)N(C)[C@H]1CCN(Cc2ccc3c(c2)CCCN3C)C1 ZINC001138357054 796204424 /nfs/dbraw/zinc/20/44/24/796204424.db2.gz AGBVSSLUIAXVAN-KRWDZBQOSA-N 0 3 301.434 2.122 20 10 DECDHN CN(Cc1ccno1)Cc1ccc(N2CCN(C)CC2)cc1 ZINC001139410940 796373117 /nfs/dbraw/zinc/37/31/17/796373117.db2.gz MXHSEOZYAZHFFA-UHFFFAOYSA-N 0 3 300.406 2.058 20 10 DECDHN CC(C)N1CCN(Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140662269 796552127 /nfs/dbraw/zinc/55/21/27/796552127.db2.gz LSZCESIRLHLNNI-UHFFFAOYSA-N 0 3 321.440 2.188 20 10 DECDHN Fc1cc(N2CCOCC2)ccc1CN1CC[C@@H]2OCC[C@H]2C1 ZINC001140664585 796553019 /nfs/dbraw/zinc/55/30/19/796553019.db2.gz MOJXDXGFXOEZBR-YJBOKZPZSA-N 0 3 320.408 2.273 20 10 DECDHN FC[C@H]1[C@@H]2CN(Cc3ccc(N4CCOCC4)cc3F)C[C@H]12 ZINC001140664543 796553034 /nfs/dbraw/zinc/55/30/34/796553034.db2.gz KSAJVDVQLNLAIS-PHZGNYQRSA-N 0 3 308.372 2.310 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c(OC)c1 ZINC001141026664 796620475 /nfs/dbraw/zinc/62/04/75/796620475.db2.gz YOOBEFCLYKBSMK-MQIPJXDCSA-N 0 3 307.390 2.409 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c(OC)c1 ZINC001141026664 796620478 /nfs/dbraw/zinc/62/04/78/796620478.db2.gz YOOBEFCLYKBSMK-MQIPJXDCSA-N 0 3 307.390 2.409 20 10 DECDHN COc1cc(O)c(CN2CC[C@@H]3CCCO[C@H]3C2)c(OC)c1 ZINC001141026252 796620537 /nfs/dbraw/zinc/62/05/37/796620537.db2.gz JGJDDEOYCWDUBM-SJCJKPOMSA-N 0 3 307.390 2.410 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)c(OC)c1 ZINC001141026252 796620540 /nfs/dbraw/zinc/62/05/40/796620540.db2.gz JGJDDEOYCWDUBM-SJCJKPOMSA-N 0 3 307.390 2.410 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)c(OC)c1 ZINC001141026252 796620542 /nfs/dbraw/zinc/62/05/42/796620542.db2.gz JGJDDEOYCWDUBM-SJCJKPOMSA-N 0 3 307.390 2.410 20 10 DECDHN CCCCN1CCN(Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141143268 796638971 /nfs/dbraw/zinc/63/89/71/796638971.db2.gz RSPQFUOLTZKTMV-UHFFFAOYSA-N 0 3 303.450 2.433 20 10 DECDHN CC(C)[C@H](C(=O)NCc1c(O)cccc1O)N1CCCCC1 ZINC001156881057 798099623 /nfs/dbraw/zinc/09/96/23/798099623.db2.gz NOCOYZWSABZXHD-MRXNPFEDSA-N 0 3 306.406 2.225 20 10 DECDHN O=C1NC[C@H](c2ccccc2)[C@@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001203552074 800079034 /nfs/dbraw/zinc/07/90/34/800079034.db2.gz ZAXHOUOYGNKAMT-XLIONFOSSA-N 0 3 322.408 2.498 20 10 DECDHN O=C1NC[C@H](c2ccccc2)[C@@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001203552074 800079043 /nfs/dbraw/zinc/07/90/43/800079043.db2.gz ZAXHOUOYGNKAMT-XLIONFOSSA-N 0 3 322.408 2.498 20 10 DECDHN COc1cccc(CN2CCC[C@H](NC(=O)NC(C)C)C2)c1O ZINC001203602017 800087882 /nfs/dbraw/zinc/08/78/82/800087882.db2.gz WTLHDKUVKFKFON-AWEZNQCLSA-N 0 3 321.421 2.073 20 10 DECDHN CCN(CC)C(=O)[C@H]1CCCN(Cc2ccc(O)c(O)c2)C1 ZINC001203874398 800137935 /nfs/dbraw/zinc/13/79/35/800137935.db2.gz WBTJOEAGWDXGHN-AWEZNQCLSA-N 0 3 306.406 2.178 20 10 DECDHN CCN(CC)c1ccc(CN2CC[C@H](OCC(=O)OC)C2)cc1 ZINC001203945364 800149791 /nfs/dbraw/zinc/14/97/91/800149791.db2.gz LEBZJZYDMZAIMS-KRWDZBQOSA-N 0 3 320.433 2.297 20 10 DECDHN CC(C)(C)C(=O)NC1CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204278064 800199405 /nfs/dbraw/zinc/19/94/05/800199405.db2.gz RLVUFUMQIOLUGB-UHFFFAOYSA-N 0 3 306.406 2.225 20 10 DECDHN COC(=O)[C@@H]1CC12CC[NH+](Cc1c(C)cc(OC)cc1[O-])CC2 ZINC001204298471 800202244 /nfs/dbraw/zinc/20/22/44/800202244.db2.gz GRGDPMNPAPMQJB-HNNXBMFYSA-N 0 3 319.401 2.484 20 10 DECDHN CCN1CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001232198610 801815130 /nfs/dbraw/zinc/81/51/30/801815130.db2.gz XZUIPRSYFAQROY-UHFFFAOYSA-N 0 3 323.868 2.314 20 10 DECDHN CCOC(=O)c1c(CN2C[C@H](O)[C@@H](C)C2)c2ccccc2n1C ZINC001233270501 802060064 /nfs/dbraw/zinc/06/00/64/802060064.db2.gz PSTASEMSKVNPCH-LRDDRELGSA-N 0 3 316.401 2.168 20 10 DECDHN CCc1noc([C@@H]2CCCN(Cc3cc(O)c(O)cc3O)C2)n1 ZINC001233486362 802127666 /nfs/dbraw/zinc/12/76/66/802127666.db2.gz KHQFUGDPLKPFGM-SNVBAGLBSA-N 0 3 319.361 2.128 20 10 DECDHN C[C@@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC[C@H]1O ZINC001233726752 802191477 /nfs/dbraw/zinc/19/14/77/802191477.db2.gz HAWYEKKWOCQSKO-MWLCHTKSSA-N 0 3 305.296 2.494 20 10 DECDHN C[C@@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC[C@H]1O ZINC001233726752 802191481 /nfs/dbraw/zinc/19/14/81/802191481.db2.gz HAWYEKKWOCQSKO-MWLCHTKSSA-N 0 3 305.296 2.494 20 10 DECDHN CN(C)C(=O)CC[N@H+](C)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233760048 802199661 /nfs/dbraw/zinc/19/96/61/802199661.db2.gz AQDBLQNOXUUPFK-UHFFFAOYSA-N 0 3 320.311 2.201 20 10 DECDHN CN(C)C(=O)CC[N@@H+](C)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233760048 802199668 /nfs/dbraw/zinc/19/96/68/802199668.db2.gz AQDBLQNOXUUPFK-UHFFFAOYSA-N 0 3 320.311 2.201 20 10 DECDHN COc1ccc2ccc(O)c(CN3C[C@H](F)C[C@H]3CO)c2c1 ZINC001234526010 802403274 /nfs/dbraw/zinc/40/32/74/802403274.db2.gz OUFUKOFITBMAIB-OLZOCXBDSA-N 0 3 305.349 2.459 20 10 DECDHN C[C@@H]1CC[C@H]1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001335542806 1150448258 /nfs/dbraw/zinc/44/82/58/1150448258.db2.gz IMDSCOWWWVKALL-KBRIMQKVSA-N 0 3 318.465 2.453 20 10 DECDHN C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(C(=O)[O-])ccc1[O-] ZINC001604340682 1070338511 /nfs/dbraw/zinc/33/85/11/1070338511.db2.gz FBLBLHGRWHRDEC-VTPLQMEGSA-N 0 3 304.390 2.272 20 10 DECDHN C[C@]1(NC(=O)c2ccc(N=NC(N)=O)cc2)CN2CCC1CC2 ZINC001640233711 1078649956 /nfs/dbraw/zinc/64/99/56/1078649956.db2.gz KSTKQBAGNXZPMO-INIZCTEOSA-N 0 3 315.377 2.063 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCC3(C2)OCCO3)c1[O-] ZINC001652022651 1079846271 /nfs/dbraw/zinc/84/62/71/1079846271.db2.gz WZWDDJBCBLNDOA-GFCCVEGCSA-N 0 3 313.781 2.439 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CCC[C@H](CNC(C)=O)C2)c([O-])c1 ZINC001658202340 1080202722 /nfs/dbraw/zinc/20/27/22/1080202722.db2.gz QGXYGXMNKWSCIA-CQSZACIVSA-N 0 3 306.406 2.057 20 10 DECDHN COc1cc(C)c(C[N@H+]2CCC[C@H](CNC(C)=O)C2)c([O-])c1 ZINC001658202340 1080202728 /nfs/dbraw/zinc/20/27/28/1080202728.db2.gz QGXYGXMNKWSCIA-CQSZACIVSA-N 0 3 306.406 2.057 20 10 DECDHN CCc1ccc(C[N@@H+]2CCC[C@]3(CN(C)CCO3)C2)c([O-])c1 ZINC001276805550 1083623207 /nfs/dbraw/zinc/62/32/07/1083623207.db2.gz XREKTTYDOTWATK-SFHVURJKSA-N 0 3 304.434 2.251 20 10 DECDHN CCc1ccc(C[N@H+]2CCC[C@]3(CN(C)CCO3)C2)c([O-])c1 ZINC001276805550 1083623214 /nfs/dbraw/zinc/62/32/14/1083623214.db2.gz XREKTTYDOTWATK-SFHVURJKSA-N 0 3 304.434 2.251 20 10 DECDHN CN1CCC12CN(Cc1ccc3c(c1O)C=CC(C)(C)O3)C2 ZINC001277422840 1083961021 /nfs/dbraw/zinc/96/10/21/1083961021.db2.gz NPUICAJIFPCCTF-UHFFFAOYSA-N 0 3 300.402 2.466 20 10 DECDHN [O-]c1c(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)cccc1-c1ccccc1 ZINC001235002343 1084265894 /nfs/dbraw/zinc/26/58/94/1084265894.db2.gz PQHFNJMOJJZOLS-FUHWJXTLSA-N 0 3 313.397 2.234 20 10 DECDHN [O-]c1c(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)cccc1-c1ccccc1 ZINC001235002343 1084265904 /nfs/dbraw/zinc/26/59/04/1084265904.db2.gz PQHFNJMOJJZOLS-FUHWJXTLSA-N 0 3 313.397 2.234 20 10 DECDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@](C)(CO)[C@@H](O)C2)c([O-])c1 ZINC001235674467 1084496533 /nfs/dbraw/zinc/49/65/33/1084496533.db2.gz GHOQLAYAAGZRTH-FUHWJXTLSA-N 0 3 307.434 2.255 20 10 DECDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@](C)(CO)[C@@H](O)C2)c([O-])c1 ZINC001235674467 1084496541 /nfs/dbraw/zinc/49/65/41/1084496541.db2.gz GHOQLAYAAGZRTH-FUHWJXTLSA-N 0 3 307.434 2.255 20 10 DECDHN Oc1ccc(O)c(CN2C[C@H]3CC[C@@H](C2)N3Cc2ccc[nH]2)c1 ZINC001275418944 1091733312 /nfs/dbraw/zinc/73/33/12/1091733312.db2.gz MXTUBHOVLSEIHW-IYBDPMFKSA-N 0 3 313.401 2.275 20 10 DECDHN COc1cc(O)c(CN(CCO)Cc2cccs2)cc1OC ZINC001236756182 1138409863 /nfs/dbraw/zinc/40/98/63/1138409863.db2.gz KRGCVPCSQQPXJP-UHFFFAOYSA-N 0 3 323.414 2.465 20 10 DECDHN COCCN1CCN(Cc2cc(Cl)c(Cl)cc2O)CC1 ZINC001236790473 1138428349 /nfs/dbraw/zinc/42/83/49/1138428349.db2.gz OVFOFQDACXMIGM-UHFFFAOYSA-N 0 3 319.232 2.463 20 10 DECDHN CCc1ccc(CN2Cc3ccnn3C[C@@H](COC)C2)c(O)c1 ZINC001236788483 1138428829 /nfs/dbraw/zinc/42/88/29/1138428829.db2.gz KLQHNFHPLWWUDH-HNNXBMFYSA-N 0 3 315.417 2.430 20 10 DECDHN CCC(=O)NC1CC[NH+](Cc2c(C)cc(OC)cc2[O-])CC1 ZINC001236812875 1138436902 /nfs/dbraw/zinc/43/69/02/1138436902.db2.gz GKXOHSHNTIOCPQ-UHFFFAOYSA-N 0 3 306.406 2.200 20 10 DECDHN COc1cc(C)c(C[NH+]2CCC3(CCC(=O)O3)CC2)c([O-])c1 ZINC001236810800 1138437452 /nfs/dbraw/zinc/43/74/52/1138437452.db2.gz JKVBNLRHUFCWMS-UHFFFAOYSA-N 0 3 305.374 2.381 20 10 DECDHN COc1cc(CN2CC[C@@H]3CCCO[C@@H]3C2)c(O)c(OC)c1 ZINC001237670544 1138745789 /nfs/dbraw/zinc/74/57/89/1138745789.db2.gz SULPOZRFJKOULP-BLLLJJGKSA-N 0 3 307.390 2.410 20 10 DECDHN Cc1cc(CN2CCC[N@H+](Cc3ccccc3[O-])CC2)no1 ZINC001319905383 1140801686 /nfs/dbraw/zinc/80/16/86/1140801686.db2.gz OOFKUHZEIYUARN-UHFFFAOYSA-N 0 3 301.390 2.397 20 10 DECDHN Cc1cc(CN2CCC[N@@H+](Cc3ccccc3[O-])CC2)no1 ZINC001319905383 1140801687 /nfs/dbraw/zinc/80/16/87/1140801687.db2.gz OOFKUHZEIYUARN-UHFFFAOYSA-N 0 3 301.390 2.397 20 10 DECDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@]3(CCOC3)C2)c([O-])c1 ZINC001249178061 1141857487 /nfs/dbraw/zinc/85/74/87/1141857487.db2.gz OZJKTACSZMCHBO-SFHVURJKSA-N 0 3 319.401 2.110 20 10 DECDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@]3(CCOC3)C2)c([O-])c1 ZINC001249178061 1141857488 /nfs/dbraw/zinc/85/74/88/1141857488.db2.gz OZJKTACSZMCHBO-SFHVURJKSA-N 0 3 319.401 2.110 20 10 DECDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c([O-])c1 ZINC001249201439 1141858930 /nfs/dbraw/zinc/85/89/30/1141858930.db2.gz SKWUNHOFFUESQW-GFCCVEGCSA-N 0 3 317.307 2.492 20 10 DECDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)c([O-])c1 ZINC001249201439 1141858932 /nfs/dbraw/zinc/85/89/32/1141858932.db2.gz SKWUNHOFFUESQW-GFCCVEGCSA-N 0 3 317.307 2.492 20 10 DECDHN [O-]c1cccc2c1C[N@H+](C[C@@H](O)COc1ccc(F)cc1)CC2 ZINC001251931073 1142551089 /nfs/dbraw/zinc/55/10/89/1142551089.db2.gz UFFHBJZCHPFUFL-OAHLLOKOSA-N 0 3 317.360 2.329 20 10 DECDHN [O-]c1cccc2c1C[N@@H+](C[C@@H](O)COc1ccc(F)cc1)CC2 ZINC001251931073 1142551094 /nfs/dbraw/zinc/55/10/94/1142551094.db2.gz UFFHBJZCHPFUFL-OAHLLOKOSA-N 0 3 317.360 2.329 20 10 DECDHN CC(C)(C)OC(=O)[C@@H](O)C[NH2+]Cc1cc2ccccc2cc1[O-] ZINC001253706078 1142894642 /nfs/dbraw/zinc/89/46/42/1142894642.db2.gz IIOJOVZKNPENDW-INIZCTEOSA-N 0 3 317.385 2.338 20 10 DECDHN COc1ccc(N2CCN(C3CCOCC3)CC2)c(OC)c1 ZINC001255047150 1143394336 /nfs/dbraw/zinc/39/43/36/1143394336.db2.gz KRGTYSXCDXRGKX-UHFFFAOYSA-N 0 3 306.406 2.005 20 10 DECDHN [O-]c1c(O)cccc1C[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC001256583769 1143855499 /nfs/dbraw/zinc/85/54/99/1143855499.db2.gz OTBRCRFSFBLHNW-UHFFFAOYSA-N 0 3 313.401 2.247 20 10 DECDHN Cn1nc2c(cc1=O)C[N@@H+](Cc1c([O-])ccc3ccccc31)CC2 ZINC000072916226 191251754 /nfs/dbraw/zinc/25/17/54/191251754.db2.gz KOCGBMWKGKVYHG-UHFFFAOYSA-N 0 3 321.380 2.197 20 10 DECDHN Cn1nc2c(cc1=O)C[N@H+](Cc1c([O-])ccc3ccccc31)CC2 ZINC000072916226 191251757 /nfs/dbraw/zinc/25/17/57/191251757.db2.gz KOCGBMWKGKVYHG-UHFFFAOYSA-N 0 3 321.380 2.197 20 10 DECDHN Cc1cc(C(=O)NC[C@@H](C)N(C)C)c(C)n1-c1ccccn1 ZINC000068064592 354793636 /nfs/dbraw/zinc/79/36/36/354793636.db2.gz JFJLKBZATNYVOV-CYBMUJFWSA-N 0 3 300.406 2.169 20 10 DECDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OC)c2[O-])[C@]12CCCO2 ZINC000273641402 130148023 /nfs/dbraw/zinc/14/80/23/130148023.db2.gz USTRMKBBZQYVQA-ZMSDIMECSA-N 0 3 307.390 2.217 20 10 DECDHN Cc1cc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)n(C)n1 ZINC000284586399 131094717 /nfs/dbraw/zinc/09/47/17/131094717.db2.gz ZLJPBYUUADPMOA-OAHLLOKOSA-N 0 3 314.433 2.416 20 10 DECDHN COc1ccc(CNCC2(S(C)(=O)=O)CCCC2)cc1C ZINC000285380171 131162405 /nfs/dbraw/zinc/16/24/05/131162405.db2.gz CPTFLJHXMKRHFS-UHFFFAOYSA-N 0 3 311.447 2.451 20 10 DECDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000285488655 131173668 /nfs/dbraw/zinc/17/36/68/131173668.db2.gz LWLRQIXNDKVOAU-MRXNPFEDSA-N 0 3 317.433 2.470 20 10 DECDHN Cc1cc([O-])c(C[NH2+]CC2(S(C)(=O)=O)CCCC2)cc1C ZINC000285524652 131177711 /nfs/dbraw/zinc/17/77/11/131177711.db2.gz PGKIDHVFEAVYNS-UHFFFAOYSA-N 0 3 311.447 2.456 20 10 DECDHN COC(=O)C[C@@H]1CSCCN1Cc1ccc(N(C)C)cc1 ZINC000093610414 402017048 /nfs/dbraw/zinc/01/70/48/402017048.db2.gz LYAKINUXWLFMTF-OAHLLOKOSA-N 0 3 308.447 2.233 20 10 DECDHN COc1cccc(CN2CCN(c3cccc(O)c3)CC2)c1O ZINC000121647964 402047695 /nfs/dbraw/zinc/04/76/95/402047695.db2.gz GYMAJUZOCOZIHF-UHFFFAOYSA-N 0 3 314.385 2.429 20 10 DECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2cccc(OCC(N)=O)c2)c1 ZINC000185577911 402362641 /nfs/dbraw/zinc/36/26/41/402362641.db2.gz VEVSGCANNUCLBE-CYBMUJFWSA-N 0 3 314.385 2.416 20 10 DECDHN Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c([O-])c1O ZINC000177677226 402425705 /nfs/dbraw/zinc/42/57/05/402425705.db2.gz DQJAJYYIBIQMHU-CYBMUJFWSA-N 0 3 306.406 2.256 20 10 DECDHN Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)c([O-])c1O ZINC000177677226 402425707 /nfs/dbraw/zinc/42/57/07/402425707.db2.gz DQJAJYYIBIQMHU-CYBMUJFWSA-N 0 3 306.406 2.256 20 10 DECDHN COc1ccc([O-])c(C[N@@H+]2CCSC3(CCOCC3)C2)c1 ZINC000186485784 402435387 /nfs/dbraw/zinc/43/53/87/402435387.db2.gz XOYNQLJGVZWQHW-UHFFFAOYSA-N 0 3 309.431 2.499 20 10 DECDHN COc1ccc([O-])c(C[N@H+]2CCSC3(CCOCC3)C2)c1 ZINC000186485784 402435389 /nfs/dbraw/zinc/43/53/89/402435389.db2.gz XOYNQLJGVZWQHW-UHFFFAOYSA-N 0 3 309.431 2.499 20 10 DECDHN CC[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)N1CCOCC1 ZINC000165070523 402472592 /nfs/dbraw/zinc/47/25/92/402472592.db2.gz YGQDFCKKYATBSK-YOEHRIQHSA-N 0 3 319.449 2.041 20 10 DECDHN Cc1cc([O-])c(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)cc1C ZINC000172935107 402680348 /nfs/dbraw/zinc/68/03/48/402680348.db2.gz QHYATQJLSSRVIF-MRXNPFEDSA-N 0 3 304.434 2.163 20 10 DECDHN Cc1cc([O-])c(C[N@H+]2CC[C@H](CN3CCOCC3)C2)cc1C ZINC000172935107 402680352 /nfs/dbraw/zinc/68/03/52/402680352.db2.gz QHYATQJLSSRVIF-MRXNPFEDSA-N 0 3 304.434 2.163 20 10 DECDHN CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1[O-] ZINC000174840298 402759477 /nfs/dbraw/zinc/75/94/77/402759477.db2.gz WWSFIIMQZFKCLM-UHFFFAOYSA-N 0 3 304.350 2.409 20 10 DECDHN CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1[O-] ZINC000174840298 402759479 /nfs/dbraw/zinc/75/94/79/402759479.db2.gz WWSFIIMQZFKCLM-UHFFFAOYSA-N 0 3 304.350 2.409 20 10 DECDHN COc1c([O-])c(C[N@H+](C)CC2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000278294428 402862433 /nfs/dbraw/zinc/86/24/33/402862433.db2.gz VCYYWFNUOQSQDT-UHFFFAOYSA-N 0 3 323.393 2.083 20 10 DECDHN COc1c([O-])c(C[N@@H+](C)CC2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000278294428 402862434 /nfs/dbraw/zinc/86/24/34/402862434.db2.gz VCYYWFNUOQSQDT-UHFFFAOYSA-N 0 3 323.393 2.083 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]CC2([S@](C)=O)CCC2)c1[O-] ZINC000281685598 403082059 /nfs/dbraw/zinc/08/20/59/403082059.db2.gz BDAASZOUUQMVBX-FQEVSTJZSA-N 0 3 317.838 2.445 20 10 DECDHN CC[C@@H](NC[C@@H]1CN(C)CCN1C)c1ccc(N(C)C)cc1 ZINC000268905398 403120631 /nfs/dbraw/zinc/12/06/31/403120631.db2.gz LSMMOVHZADFFMH-QZTJIDSGSA-N 0 3 304.482 2.039 20 10 DECDHN COc1cccc(CNC(=O)[C@H]2CCCN2C2CCCC2)c1O ZINC000269736079 403162368 /nfs/dbraw/zinc/16/23/68/403162368.db2.gz VZSURKQANMFFCQ-OAHLLOKOSA-N 0 3 318.417 2.424 20 10 DECDHN C[C@@H](N[C@H](C)c1cc2c(cc1O)CCCC2)C(=O)NCCF ZINC000282904274 403163542 /nfs/dbraw/zinc/16/35/42/403163542.db2.gz WXEHREDCBFZCEQ-VXGBXAGGSA-N 0 3 308.397 2.396 20 10 DECDHN Cc1cc(N2CCC([NH2+]Cc3cc(F)ccc3[O-])CC2)n[nH]1 ZINC000276135577 403148299 /nfs/dbraw/zinc/14/82/99/403148299.db2.gz ZSOBISOCNREXNV-UHFFFAOYSA-N 0 3 304.369 2.321 20 10 DECDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269624261 403151298 /nfs/dbraw/zinc/15/12/98/403151298.db2.gz CADAGMDBHOSXPP-INIZCTEOSA-N 0 3 302.330 2.466 20 10 DECDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269624261 403151301 /nfs/dbraw/zinc/15/13/01/403151301.db2.gz CADAGMDBHOSXPP-INIZCTEOSA-N 0 3 302.330 2.466 20 10 DECDHN CCOCC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000277623618 403237998 /nfs/dbraw/zinc/23/79/98/403237998.db2.gz GLOUSMQICBSXRL-SJORKVTESA-N 0 3 323.433 2.161 20 10 DECDHN CCOCC[C@@H](O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000277623618 403238000 /nfs/dbraw/zinc/23/80/00/403238000.db2.gz GLOUSMQICBSXRL-SJORKVTESA-N 0 3 323.433 2.161 20 10 DECDHN CCOC(=O)CC1CC[NH+](Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000298325543 403358185 /nfs/dbraw/zinc/35/81/85/403358185.db2.gz VPDVZWNCHGRZKF-UHFFFAOYSA-N 0 3 321.373 2.286 20 10 DECDHN CCOC(=O)CC1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000298325543 403358188 /nfs/dbraw/zinc/35/81/88/403358188.db2.gz VPDVZWNCHGRZKF-UHFFFAOYSA-N 0 3 321.373 2.286 20 10 DECDHN COc1ccc([O-])c(C[N@H+](C)C[C@H](O)Cc2ccccc2)c1 ZINC000293892444 403591978 /nfs/dbraw/zinc/59/19/78/403591978.db2.gz KLWIGKSCKDFKAB-MRXNPFEDSA-N 0 3 301.386 2.436 20 10 DECDHN COc1ccc([O-])c(C[N@@H+](C)C[C@H](O)Cc2ccccc2)c1 ZINC000293892444 403591980 /nfs/dbraw/zinc/59/19/80/403591980.db2.gz KLWIGKSCKDFKAB-MRXNPFEDSA-N 0 3 301.386 2.436 20 10 DECDHN C[C@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1cc2c(cc1[O-])CCCC2 ZINC000293979969 403614955 /nfs/dbraw/zinc/61/49/55/403614955.db2.gz BHVCUEASQBYIGH-MAZHCROVSA-N 0 3 305.418 2.462 20 10 DECDHN CN(C)C(=O)C1([NH2+]Cc2cc3c(cc2[O-])OCO3)CCCCC1 ZINC000295011746 403739545 /nfs/dbraw/zinc/73/95/45/403739545.db2.gz MCSHHLCQVVVDBD-UHFFFAOYSA-N 0 3 320.389 2.002 20 10 DECDHN CC[C@H](C)N1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000295294058 403837337 /nfs/dbraw/zinc/83/73/37/403837337.db2.gz UNUCGKNPCQMAEV-ZDUSSCGKSA-N 0 3 308.422 2.326 20 10 DECDHN CC(C)[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)N1CCN(C)CC1 ZINC000295909297 404018492 /nfs/dbraw/zinc/01/84/92/404018492.db2.gz JCZXMMUUZGFQCX-DLBZAZTESA-N 0 3 317.477 2.241 20 10 DECDHN C[C@@H]([NH2+]CCN1CCC(O)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000296086564 404086460 /nfs/dbraw/zinc/08/64/60/404086460.db2.gz XUOYHIPLYYLCAJ-CQSZACIVSA-N 0 3 318.461 2.378 20 10 DECDHN COc1cc(O)c(CN2CC[C@H](n3cc(C)cn3)C2)cc1OC ZINC000290819876 404325887 /nfs/dbraw/zinc/32/58/87/404325887.db2.gz GTIGSRNCMGYHIX-AWEZNQCLSA-N 0 3 317.389 2.361 20 10 DECDHN COc1cc(O)c(CN2CC[C@@H](n3cc(C)cn3)C2)cc1OC ZINC000290819880 404325980 /nfs/dbraw/zinc/32/59/80/404325980.db2.gz GTIGSRNCMGYHIX-CQSZACIVSA-N 0 3 317.389 2.361 20 10 DECDHN c1[nH]c2nccnc2c1CNCc1ccc(N2CCOCC2)cc1 ZINC000290956240 404368476 /nfs/dbraw/zinc/36/84/76/404368476.db2.gz VSOQQZJBBMHLNS-UHFFFAOYSA-N 0 3 323.400 2.084 20 10 DECDHN CS(=O)(=O)[C@@H]1CCCC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000291789113 404522024 /nfs/dbraw/zinc/52/20/24/404522024.db2.gz VVMRTKOQZXBJHU-GDBMZVCRSA-N 0 3 309.431 2.067 20 10 DECDHN CC(C)CC[C@H](N)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000638134906 406587478 /nfs/dbraw/zinc/58/74/78/406587478.db2.gz XBLSHEAQKNCQCS-AWEZNQCLSA-N 0 3 305.422 2.242 20 10 DECDHN C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1cc(F)ccc1[O-] ZINC000374900218 227141959 /nfs/dbraw/zinc/14/19/59/227141959.db2.gz URKXKCGUFATGLA-VYDXJSESSA-N 0 3 308.397 2.215 20 10 DECDHN Cc1cc([O-])c(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)cc1C ZINC000377173743 227183693 /nfs/dbraw/zinc/18/36/93/227183693.db2.gz BBUFGILEMZVXSR-HNNXBMFYSA-N 0 3 302.418 2.453 20 10 DECDHN Cc1cc([O-])c(C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)cc1C ZINC000377173743 227183695 /nfs/dbraw/zinc/18/36/95/227183695.db2.gz BBUFGILEMZVXSR-HNNXBMFYSA-N 0 3 302.418 2.453 20 10 DECDHN Cc1cc([O-])c(C[NH2+][C@H]2CCN(c3cnn(C)c3)C2)cc1C ZINC000377831114 227202266 /nfs/dbraw/zinc/20/22/66/227202266.db2.gz JWSRCKMFWQDBGE-HNNXBMFYSA-N 0 3 300.406 2.111 20 10 DECDHN CC[C@@H](CO)N1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835029265 649869026 /nfs/dbraw/zinc/86/90/26/649869026.db2.gz RWODLWNBRZDIOP-XFHJGTJQSA-N 0 3 317.477 2.154 20 10 DECDHN CN(C)c1ccc(CNC(=O)[C@@H](CN)c2ccccc2)cc1F ZINC000237083153 522200217 /nfs/dbraw/zinc/20/02/17/522200217.db2.gz WJPUNVZXFVLGFP-HNNXBMFYSA-N 0 3 315.392 2.250 20 10 DECDHN COc1cc([O-])c(C[NH2+]C[C@@H](C)Cn2ccnc2C)cc1OC ZINC000182461953 522777271 /nfs/dbraw/zinc/77/72/71/522777271.db2.gz SPFYCCOTZLVQBJ-GFCCVEGCSA-N 0 3 319.405 2.340 20 10 DECDHN CN(C)c1ccc(/C=C\CN2CC[C@@H](N3CCCC3=O)C2)cc1 ZINC000835050641 649871794 /nfs/dbraw/zinc/87/17/94/649871794.db2.gz RAJFJXXLYZWDMT-LKIHTYOGSA-N 0 3 313.445 2.463 20 10 DECDHN CN(C)c1ccc(/C=C\CNCC2(S(C)(=O)=O)CCC2)cc1 ZINC000835055188 649872946 /nfs/dbraw/zinc/87/29/46/649872946.db2.gz WNDVXNPMWPEWRP-XQRVVYSFSA-N 0 3 322.474 2.323 20 10 DECDHN COc1cc(Br)cc(C[NH2+][C@]2(C)CCOC2)c1[O-] ZINC000120128320 622598103 /nfs/dbraw/zinc/59/81/03/622598103.db2.gz ZPXYBHRZMCSIEN-CYBMUJFWSA-N 0 3 316.195 2.432 20 10 DECDHN COc1ccc(CNCc2ccc(OC)c(OC)c2O)cc1O ZINC000892785701 625602766 /nfs/dbraw/zinc/60/27/66/625602766.db2.gz URCUGXTYMDOSHZ-UHFFFAOYSA-N 0 3 319.357 2.413 20 10 DECDHN F[C@H]1CC2(CC[C@@H]1NCc1ccc3c(c1)CCO3)OCCO2 ZINC000892794835 625614564 /nfs/dbraw/zinc/61/45/64/625614564.db2.gz XGSMVJIEPSSVQP-GJZGRUSLSA-N 0 3 307.365 2.345 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CC2(F)F)N(C)C)cc1 ZINC000891249905 623794941 /nfs/dbraw/zinc/79/49/41/623794941.db2.gz UHYSMOZCDBOLTM-KGLIPLIRSA-N 0 3 311.376 2.127 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCS2)N(C)C)cc1 ZINC000891253086 623798399 /nfs/dbraw/zinc/79/83/99/623798399.db2.gz QKBSIFJPNLZMNE-HZPDHXFCSA-N 0 3 321.490 2.367 20 10 DECDHN CCC[C@H](O)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891253442 623799377 /nfs/dbraw/zinc/79/93/77/623799377.db2.gz SLUJFOJUBJKUCS-DLBZAZTESA-N 0 3 321.465 2.023 20 10 DECDHN COc1ccc(N2CCC(NC(=O)CN(C)C(C)C)CC2)cc1 ZINC000102382276 650069806 /nfs/dbraw/zinc/06/98/06/650069806.db2.gz WDUCEBJBTBZRKJ-UHFFFAOYSA-N 0 3 319.449 2.120 20 10 DECDHN CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCN(C3CC3)C2)cc1 ZINC000734286016 633355637 /nfs/dbraw/zinc/35/56/37/633355637.db2.gz XWZDNFKARMHQHA-HNNXBMFYSA-N 0 3 316.449 2.131 20 10 DECDHN COc1cc(C)cc(CN2CCN(C[C@H]3CCCO3)CC2)c1O ZINC000893902681 636058802 /nfs/dbraw/zinc/05/88/02/636058802.db2.gz LLWVIPOFWMQCLV-MRXNPFEDSA-N 0 3 320.433 2.006 20 10 DECDHN C[C@H]1CN(C(=O)NCCCSc2nccs2)[C@@H](C)CN1 ZINC000841856660 636928812 /nfs/dbraw/zinc/92/88/12/636928812.db2.gz JZCVEAUGSSLKBE-QWRGUYRKSA-N 0 3 314.480 2.017 20 10 DECDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@@H]1COCO1 ZINC000894876416 637282659 /nfs/dbraw/zinc/28/26/59/637282659.db2.gz RFEQSHKKNHGUIN-QGZVFWFLSA-N 0 3 315.369 2.434 20 10 DECDHN COc1ccc(N2CC[C@H](NCc3ccc(OC)cn3)C2)cc1 ZINC000895308989 637911815 /nfs/dbraw/zinc/91/18/15/637911815.db2.gz FZLWZBGPXOCFQW-HNNXBMFYSA-N 0 3 313.401 2.467 20 10 DECDHN Cc1cc(N(C)C)ccc1CN1CC[C@H](OC(=O)N(C)C)C1 ZINC000840951565 650394154 /nfs/dbraw/zinc/39/41/54/650394154.db2.gz ZBRGTFWXFVRMBN-INIZCTEOSA-N 0 3 305.422 2.334 20 10 DECDHN CS(=O)(=O)C1CCC(C[NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000896255898 638433652 /nfs/dbraw/zinc/43/36/52/638433652.db2.gz PFTIDAFKYFTEQP-UHFFFAOYSA-N 0 3 315.410 2.224 20 10 DECDHN CCOCc1cc(CN[C@@H]2CNCCC2(F)F)ccc1OC ZINC000841075627 650423058 /nfs/dbraw/zinc/42/30/58/650423058.db2.gz TUUKKLKLORZGPG-OAHLLOKOSA-N 0 3 314.376 2.319 20 10 DECDHN Cc1ccc(CN[C@@H]2CON(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000897005371 639117537 /nfs/dbraw/zinc/11/75/37/639117537.db2.gz VZLCJPSJZZNRPU-ZDUSSCGKSA-N 0 3 308.378 2.341 20 10 DECDHN O=[N+]([O-])c1cc(CN[C@@H]2CCOC2)ccc1N1CCCCC1 ZINC000752106411 639156360 /nfs/dbraw/zinc/15/63/60/639156360.db2.gz VSUHWWUATQHIHB-CQSZACIVSA-N 0 3 305.378 2.464 20 10 DECDHN C[C@H]1C[C@@H]([NH2+]CCCN2CCOCC2)c2c1c(F)ccc2[O-] ZINC000756342745 639652020 /nfs/dbraw/zinc/65/20/20/639652020.db2.gz LAQGKNXLYRRXMX-GXTWGEPZSA-N 0 3 308.397 2.392 20 10 DECDHN C[C@@H]1C[C@H]([NH2+]CCCN2CCOCC2)c2c1c(F)ccc2[O-] ZINC000756342749 639652295 /nfs/dbraw/zinc/65/22/95/639652295.db2.gz LAQGKNXLYRRXMX-OCCSQVGLSA-N 0 3 308.397 2.392 20 10 DECDHN C[C@H]1C[C@@H]([NH2+]CCCS(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000756535535 639670429 /nfs/dbraw/zinc/67/04/29/639670429.db2.gz QYNFVXAKZMTLTP-GXSJLCMTSA-N 0 3 301.383 2.104 20 10 DECDHN C[C@@H]([NH2+]CCS(=O)(=O)CC1CC1)c1cc(F)ccc1[O-] ZINC000756758104 639692007 /nfs/dbraw/zinc/69/20/07/639692007.db2.gz HCCALARYYRAMOE-SNVBAGLBSA-N 0 3 301.383 2.007 20 10 DECDHN COc1ccc(O)c([C@H](C)NCC(=O)N(C)Cc2ccco2)c1 ZINC000839540342 639752783 /nfs/dbraw/zinc/75/27/83/639752783.db2.gz TVOCLNSKTDDMOJ-LBPRGKRZSA-N 0 3 318.373 2.303 20 10 DECDHN O=S1(=O)CCc2cc(C[NH2+]Cc3ccccc3[O-])ccc21 ZINC000757693675 639871137 /nfs/dbraw/zinc/87/11/37/639871137.db2.gz MQLJQOFCJCBXBY-UHFFFAOYSA-N 0 3 303.383 2.012 20 10 DECDHN CCOCc1cc(CN[C@@H](CO)CC(F)F)ccc1OC ZINC000758614725 639980098 /nfs/dbraw/zinc/98/00/98/639980098.db2.gz JTBQGTCDFRHZTA-CYBMUJFWSA-N 0 3 303.349 2.337 20 10 DECDHN C[C@@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841762465 650559343 /nfs/dbraw/zinc/55/93/43/650559343.db2.gz JPPOKNDXZJGQTL-STQMWFEESA-N 0 3 311.857 2.332 20 10 DECDHN CCOc1ccc(C[NH2+]CC(C)(C)C2(O)CCOCC2)c([O-])c1 ZINC000841891411 650595676 /nfs/dbraw/zinc/59/56/76/650595676.db2.gz YKIBFGJOACQBJA-UHFFFAOYSA-N 0 3 323.433 2.448 20 10 DECDHN OC[C@@H]1COc2ccccc2[C@@H]1NCc1cc(F)ccc1O ZINC000897950334 640983639 /nfs/dbraw/zinc/98/36/39/640983639.db2.gz BUMHXIALCWDUHD-SJKOYZFVSA-N 0 3 303.333 2.363 20 10 DECDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1c2ccccc2OC[C@H]1CO ZINC000897950334 640983642 /nfs/dbraw/zinc/98/36/42/640983642.db2.gz BUMHXIALCWDUHD-SJKOYZFVSA-N 0 3 303.333 2.363 20 10 DECDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1Cc2ccccc2C1 ZINC000768441707 641081247 /nfs/dbraw/zinc/08/12/47/641081247.db2.gz GIQGAIJFDOTMKM-SFHVURJKSA-N 0 3 311.381 2.417 20 10 DECDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1Cc2ccccc2C1 ZINC000768441707 641081251 /nfs/dbraw/zinc/08/12/51/641081251.db2.gz GIQGAIJFDOTMKM-SFHVURJKSA-N 0 3 311.381 2.417 20 10 DECDHN c1cc(N2CCOCC2)ccc1CN1CCN(C2CCC2)CC1 ZINC000769414609 641236251 /nfs/dbraw/zinc/23/62/51/641236251.db2.gz XBSNBYUXHFYCPA-UHFFFAOYSA-N 0 3 315.461 2.193 20 10 DECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](O)c2ccnn2C)c1[O-] ZINC000927132734 641671094 /nfs/dbraw/zinc/67/10/94/641671094.db2.gz WPYCSBHRKOWIPN-YGRLFVJLSA-N 0 3 309.797 2.472 20 10 DECDHN C[C@H](NC(=S)NC1CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000774255970 641883253 /nfs/dbraw/zinc/88/32/53/641883253.db2.gz LUCSPRTUZUQVFQ-ZDUSSCGKSA-N 0 3 320.506 2.372 20 10 DECDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ncccn1 ZINC000774487278 641910055 /nfs/dbraw/zinc/91/00/55/641910055.db2.gz YPDWSBVWWWVCGQ-CHWSQXEVSA-N 0 3 313.405 2.220 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)C2CC2)N(C)C)cc1 ZINC000899095719 641930092 /nfs/dbraw/zinc/93/00/92/641930092.db2.gz LEUPXONFRMBPAD-MRXNPFEDSA-N 0 3 304.438 2.159 20 10 DECDHN CCOc1ccc(C[NH2+][C@H]2CCN(C(C)(C)C)C2=O)c([O-])c1 ZINC000842721198 650811228 /nfs/dbraw/zinc/81/12/28/650811228.db2.gz QMRGSVXIJPPZND-AWEZNQCLSA-N 0 3 306.406 2.280 20 10 DECDHN COc1cccc([O-])c1C[NH2+][C@H](CO)Cc1cccc(C)c1 ZINC000786165796 643334352 /nfs/dbraw/zinc/33/43/52/643334352.db2.gz YYIVJZAOFLNXOK-HNNXBMFYSA-N 0 3 301.386 2.402 20 10 DECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000789767983 643771954 /nfs/dbraw/zinc/77/19/54/643771954.db2.gz DRMMXZKJURXORC-CQSZACIVSA-N 0 3 300.358 2.449 20 10 DECDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000789767983 643771958 /nfs/dbraw/zinc/77/19/58/643771958.db2.gz DRMMXZKJURXORC-CQSZACIVSA-N 0 3 300.358 2.449 20 10 DECDHN CNC(=O)C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000796037502 644677445 /nfs/dbraw/zinc/67/74/45/644677445.db2.gz XEXYHFQCIHCUAN-OAHLLOKOSA-N 0 3 302.349 2.498 20 10 DECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](C)S(C)(=O)=O)c1[O-] ZINC000808708716 645301492 /nfs/dbraw/zinc/30/14/92/645301492.db2.gz PDEQKDVBMWATOM-VHSXEESVSA-N 0 3 305.827 2.438 20 10 DECDHN CNC(=O)[C@H](CCSC)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000806662543 645859339 /nfs/dbraw/zinc/85/93/39/645859339.db2.gz DIAHYFUGYRUFFQ-DOMZBBRYSA-N 0 3 309.479 2.271 20 10 DECDHN COCCOCCN(C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000808237214 646060220 /nfs/dbraw/zinc/06/02/20/646060220.db2.gz GUDODCPYHFWMMY-UHFFFAOYSA-N 0 3 311.422 2.490 20 10 DECDHN CN(C)c1ccc(CNC(=O)CN2CCC[C@H](C3CC3)C2)cc1 ZINC000808778286 646140549 /nfs/dbraw/zinc/14/05/49/646140549.db2.gz QYUQQUAAYLWIRT-KRWDZBQOSA-N 0 3 315.461 2.491 20 10 DECDHN CC[C@H]([NH2+]C[C@@H](O)CN(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810216214 646340089 /nfs/dbraw/zinc/34/00/89/646340089.db2.gz FUHSPPDKVNRHJM-YPMHNXCESA-N 0 3 320.355 2.374 20 10 DECDHN Cc1cc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)c(C)n1-c1ccccn1 ZINC000814143681 646854029 /nfs/dbraw/zinc/85/40/29/646854029.db2.gz AVPHCASZTSPLFZ-NVXWUHKLSA-N 0 3 324.428 2.265 20 10 DECDHN C[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(Br)c(F)cc1[O-] ZINC000817977662 647398573 /nfs/dbraw/zinc/39/85/73/647398573.db2.gz NNBMZCYHXSDSOW-WRNXMPKJSA-N 0 3 315.186 2.162 20 10 DECDHN COc1ccc(N2CC[C@H](CN[C@H]3CCn4ccnc43)C2)cc1 ZINC000818341815 647456346 /nfs/dbraw/zinc/45/63/46/647456346.db2.gz GZQDAVNZLHAMBJ-PBHICJAKSA-N 0 3 312.417 2.453 20 10 DECDHN CN(C)c1ccc(CN2CC[C@@H](CN3CCOC3=O)C2)cc1F ZINC000824451242 648590536 /nfs/dbraw/zinc/59/05/36/648590536.db2.gz POGYWFAFQVQNAH-CQSZACIVSA-N 0 3 321.396 2.166 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCOC[C@@H]2OC)c1[O-] ZINC000824710533 648640584 /nfs/dbraw/zinc/64/05/84/648640584.db2.gz ZWPPAPAATDDXBS-HZMBPMFUSA-N 0 3 315.797 2.195 20 10 DECDHN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@H](C)N1CCO ZINC000824926735 648673503 /nfs/dbraw/zinc/67/35/03/648673503.db2.gz QZRSRVQQMJZASV-GASCZTMLSA-N 0 3 314.429 2.432 20 10 DECDHN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@H](C)N1CCO ZINC000824926735 648673507 /nfs/dbraw/zinc/67/35/07/648673507.db2.gz QZRSRVQQMJZASV-GASCZTMLSA-N 0 3 314.429 2.432 20 10 DECDHN C[C@@H](NCc1cccnc1N)c1ccc(N2CCOCC2)cc1 ZINC000828669941 649208390 /nfs/dbraw/zinc/20/83/90/649208390.db2.gz UXPDZEFAKGKKJK-CQSZACIVSA-N 0 3 312.417 2.351 20 10 DECDHN Cc1cc(CN2CCOC[C@H](O)C2)ccc1N1CCCCC1 ZINC000830638428 649472129 /nfs/dbraw/zinc/47/21/29/649472129.db2.gz FFWIJOZCEFGXEG-QGZVFWFLSA-N 0 3 304.434 2.178 20 10 DECDHN CC(C)CN1CCO[C@H](C[NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000834491717 649806449 /nfs/dbraw/zinc/80/64/49/649806449.db2.gz FKRWYNQQDCGKJV-CVEARBPZSA-N 0 3 304.434 2.326 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](OC3CCC3)C1)[C@@H](O)CO2 ZINC000848498401 651463884 /nfs/dbraw/zinc/46/38/84/651463884.db2.gz SCBLLJWPKFGMST-PBHICJAKSA-N 0 3 319.401 2.352 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](OC3CCC3)C1)[C@@H](O)CO2 ZINC000848498401 651463885 /nfs/dbraw/zinc/46/38/85/651463885.db2.gz SCBLLJWPKFGMST-PBHICJAKSA-N 0 3 319.401 2.352 20 10 DECDHN C[C@@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1cc(F)ccc1[O-] ZINC000850558051 651952436 /nfs/dbraw/zinc/95/24/36/651952436.db2.gz SGTBBLOEAVXDCA-IUODEOHRSA-N 0 3 308.397 2.435 20 10 DECDHN C[C@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1cc(F)ccc1[O-] ZINC000850558054 651952750 /nfs/dbraw/zinc/95/27/50/651952750.db2.gz SGTBBLOEAVXDCA-SWLSCSKDSA-N 0 3 308.397 2.435 20 10 DECDHN CN(C)c1cc(F)c(CNCCCNc2ncccn2)cc1F ZINC000858148577 652265824 /nfs/dbraw/zinc/26/58/24/652265824.db2.gz CLSLRDGIBHXLHG-UHFFFAOYSA-N 0 3 321.375 2.413 20 10 DECDHN C[C@H](CO[C@@H]1CCOC1)NCc1cc(F)c(N(C)C)cc1F ZINC000858149629 652267169 /nfs/dbraw/zinc/26/71/69/652267169.db2.gz QDESSMTVCNMASN-DGCLKSJQSA-N 0 3 314.376 2.314 20 10 DECDHN C[C@@H](CC[S@](C)=O)NCc1cc(F)c(N(C)C)cc1F ZINC000858149604 652267242 /nfs/dbraw/zinc/26/72/42/652267242.db2.gz PNWDGZIYXCMTNJ-FVINQWEUSA-N 0 3 304.406 2.278 20 10 DECDHN CNC(=O)[C@@H]1CCC[C@H]1NCc1cc(F)c(N(C)C)cc1F ZINC000858154715 652267641 /nfs/dbraw/zinc/26/76/41/652267641.db2.gz PMAXJWMXRPXNFO-BXUZGUMPSA-N 0 3 311.376 2.035 20 10 DECDHN COc1cccc([O-])c1C[NH2+]C[C@H]1c2ccccc2C(=O)N1C ZINC000858283266 652295747 /nfs/dbraw/zinc/29/57/47/652295747.db2.gz FLWAZMARFPXSAM-HNNXBMFYSA-N 0 3 312.369 2.317 20 10 DECDHN C[C@H](N[C@@H](CO)c1ccnn1C)c1cc2c(cc1O)CCCC2 ZINC000858434776 652335629 /nfs/dbraw/zinc/33/56/29/652335629.db2.gz PEWSIDWQQVQQFH-LRDDRELGSA-N 0 3 315.417 2.389 20 10 DECDHN Cc1cc(CN2CC[C@@H](N3CCOC3=O)C2)ccc1N(C)C ZINC000852442757 652402258 /nfs/dbraw/zinc/40/22/58/652402258.db2.gz LLFUIDZHVZWMFW-OAHLLOKOSA-N 0 3 303.406 2.088 20 10 DECDHN [O-]c1ccc2ccccc2c1C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000853550606 652567243 /nfs/dbraw/zinc/56/72/43/652567243.db2.gz KQYSWGQUHDRAJO-INIZCTEOSA-N 0 3 312.413 2.452 20 10 DECDHN O=c1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2cc(F)ccc2[O-])c[nH]1 ZINC000862526079 686314856 /nfs/dbraw/zinc/31/48/56/686314856.db2.gz MGOXCTFAPPSCNY-CJNGLKHVSA-N 0 3 304.321 2.252 20 10 DECDHN COCC[C@H](C[NH2+]Cc1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000865443045 687213677 /nfs/dbraw/zinc/21/36/77/687213677.db2.gz WLNXRWNEBLGRKQ-CQSZACIVSA-N 0 3 324.421 2.412 20 10 DECDHN C[C@H](NCc1ccc(N)nc1)c1ccc(N2CCOCC2)cc1 ZINC000930209851 694112953 /nfs/dbraw/zinc/11/29/53/694112953.db2.gz JLOVQJBLYQSNRB-AWEZNQCLSA-N 0 3 312.417 2.351 20 10 DECDHN CCO[C@@H]1C[C@](N)(C(=O)N[C@H](C)c2ccccc2O)C1(C)C ZINC000870988726 688704838 /nfs/dbraw/zinc/70/48/38/688704838.db2.gz XUJGFGZDDDFKJU-ZLENFMNRSA-N 0 3 306.406 2.102 20 10 DECDHN COc1cc(C)cc(CN2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1O ZINC000872687412 689065464 /nfs/dbraw/zinc/06/54/64/689065464.db2.gz FKFCDBZVWRVPEG-NWDGAFQWSA-N 0 3 319.323 2.312 20 10 DECDHN O=C(NC[C@H]1CCCCN1C1CC1)N1Cc2cccc(O)c2C1 ZINC000875535394 689644786 /nfs/dbraw/zinc/64/47/86/689644786.db2.gz NUOLNLQOPRRJCY-OAHLLOKOSA-N 0 3 315.417 2.434 20 10 DECDHN Cc1cccc([O-])c1C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000877031004 690002398 /nfs/dbraw/zinc/00/23/98/690002398.db2.gz LANHMZUGJVFMQR-INIZCTEOSA-N 0 3 304.434 2.434 20 10 DECDHN Cc1ccc(C[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)c([O-])c1 ZINC000877068871 690012158 /nfs/dbraw/zinc/01/21/58/690012158.db2.gz CXADNMVWODKWQM-OAHLLOKOSA-N 0 3 300.406 2.193 20 10 DECDHN CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(C)cc3[O-])[C@H]2C1 ZINC000877536185 690144676 /nfs/dbraw/zinc/14/46/76/690144676.db2.gz KJXSBDCBWUBGMB-YESZJQIVSA-N 0 3 302.418 2.437 20 10 DECDHN Cc1ccc(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)c([O-])c1 ZINC000877619877 690169603 /nfs/dbraw/zinc/16/96/03/690169603.db2.gz BADLINYDZBZNLW-QGZVFWFLSA-N 0 3 304.434 2.387 20 10 DECDHN Cc1ccc(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)c([O-])c1 ZINC000877619877 690169607 /nfs/dbraw/zinc/16/96/07/690169607.db2.gz BADLINYDZBZNLW-QGZVFWFLSA-N 0 3 304.434 2.387 20 10 DECDHN COc1cccc(C[N@@H+]2CCCCCCNC(=O)CC2)c1[O-] ZINC000877686034 690190900 /nfs/dbraw/zinc/19/09/00/690190900.db2.gz MXGUFUKXNXDIOB-UHFFFAOYSA-N 0 3 306.406 2.283 20 10 DECDHN COc1cccc(C[N@H+]2CCCCCCNC(=O)CC2)c1[O-] ZINC000877686034 690190904 /nfs/dbraw/zinc/19/09/04/690190904.db2.gz MXGUFUKXNXDIOB-UHFFFAOYSA-N 0 3 306.406 2.283 20 10 DECDHN C[C@@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886595060 692123882 /nfs/dbraw/zinc/12/38/82/692123882.db2.gz ZVXWCICMPBUSMH-KBPBESRZSA-N 0 3 309.429 2.208 20 10 DECDHN COC1(OC)CC[C@H]1N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000924794467 693186367 /nfs/dbraw/zinc/18/63/67/693186367.db2.gz FLTJLAXGGBHRSJ-WMLDXEAASA-N 0 3 320.433 2.325 20 10 DECDHN CC[C@H](C)C[C@H](N)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001343446053 1150742659 /nfs/dbraw/zinc/74/26/59/1150742659.db2.gz ZEHAQHOBGICHIF-JSGCOSHPSA-N 0 3 305.422 2.242 20 10 DECDHN CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000968685589 784540568 /nfs/dbraw/zinc/54/05/68/784540568.db2.gz VYFMXLVWYDICKV-FZMZJTMJSA-N 0 3 317.393 2.309 20 10 DECDHN O=C(N[C@H]1CC[N@H+](CC2CCCCC2)C1)c1cccc(O)c1[O-] ZINC001148224663 791713781 /nfs/dbraw/zinc/71/37/81/791713781.db2.gz RQNZJYKCYISSJN-AWEZNQCLSA-N 0 3 318.417 2.482 20 10 DECDHN O=C(N[C@H]1CC[N@@H+](CC2CCCCC2)C1)c1cccc(O)c1[O-] ZINC001148224663 791713790 /nfs/dbraw/zinc/71/37/90/791713790.db2.gz RQNZJYKCYISSJN-AWEZNQCLSA-N 0 3 318.417 2.482 20 10 DECDHN COc1cccc2c1C[C@H]([NH2+]Cc1ccc(O)cc1[O-])CO2 ZINC001173152953 793610562 /nfs/dbraw/zinc/61/05/62/793610562.db2.gz LRGVRHFUWPNCRI-LBPRGKRZSA-N 0 3 301.342 2.200 20 10 DECDHN COc1ccc(CN2CC[C@@H]([NH3+])[C@H](F)CC2)c([O-])c1Cl ZINC001206201586 793733875 /nfs/dbraw/zinc/73/38/75/793733875.db2.gz XXOHHHZBHMNSPE-GHMZBOCLSA-N 0 3 302.777 2.315 20 10 DECDHN COCCO[C@@H]1CCC[N@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001181164799 795439339 /nfs/dbraw/zinc/43/93/39/795439339.db2.gz ZMBCYVOHQLVMCZ-CQSZACIVSA-N 0 3 309.406 2.337 20 10 DECDHN COCCO[C@@H]1CCC[N@@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001181164799 795439343 /nfs/dbraw/zinc/43/93/43/795439343.db2.gz ZMBCYVOHQLVMCZ-CQSZACIVSA-N 0 3 309.406 2.337 20 10 DECDHN C[N@@H+]1C[C@@]23CN(C(=O)c4cc([O-])cs4)C[C@]2(C1)CCCC3 ZINC001120836467 795540405 /nfs/dbraw/zinc/54/04/05/795540405.db2.gz NSKCXHUBERLOFC-IYBDPMFKSA-N 0 3 306.431 2.402 20 10 DECDHN C[N@H+]1C[C@@]23CN(C(=O)c4cc([O-])cs4)C[C@]2(C1)CCCC3 ZINC001120836467 795540411 /nfs/dbraw/zinc/54/04/11/795540411.db2.gz NSKCXHUBERLOFC-IYBDPMFKSA-N 0 3 306.431 2.402 20 10 DECDHN CCN1CCC2(CC[NH+](Cc3cc(F)ccc3[O-])CC2)C1=O ZINC001140060224 796472188 /nfs/dbraw/zinc/47/21/88/796472188.db2.gz PTRIPFMNZKFZSC-UHFFFAOYSA-N 0 3 306.381 2.366 20 10 DECDHN Cc1cc(CNc2nc(N)nc(N)n2)c(C)n1-c1ccccc1 ZINC001187279778 796513961 /nfs/dbraw/zinc/51/39/61/796513961.db2.gz HUJOXVNSPAKPNT-UHFFFAOYSA-N 0 3 309.377 2.056 20 10 DECDHN Fc1cc(N2CCOCC2)ccc1CN1CC[C@]2(CCCO2)C1 ZINC001140660674 796551927 /nfs/dbraw/zinc/55/19/27/796551927.db2.gz ZYUMRUZRMFYKPQ-GOSISDBHSA-N 0 3 320.408 2.417 20 10 DECDHN OCC[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140663548 796553256 /nfs/dbraw/zinc/55/32/56/796553256.db2.gz ISUMBFPDQGKSJL-OAHLLOKOSA-N 0 3 322.424 2.257 20 10 DECDHN C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2F)C[C@H](C)N1C ZINC001140664067 796553346 /nfs/dbraw/zinc/55/33/46/796553346.db2.gz XCTASKOAZALQDX-GASCZTMLSA-N 0 3 321.440 2.187 20 10 DECDHN OCC[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140663547 796553547 /nfs/dbraw/zinc/55/35/47/796553547.db2.gz ISUMBFPDQGKSJL-HNNXBMFYSA-N 0 3 322.424 2.257 20 10 DECDHN Cc1ccc(C[NH+]2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)c([O-])c1 ZINC001140949456 796604984 /nfs/dbraw/zinc/60/49/84/796604984.db2.gz CIMIDAZCLHJMIL-HOTGVXAUSA-N 0 3 310.401 2.059 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@]3(CCOC3)C2)c(OC)c1 ZINC001141026698 796620629 /nfs/dbraw/zinc/62/06/29/796620629.db2.gz ZKMWPQSLGGVZNL-KRWDZBQOSA-N 0 3 307.390 2.412 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CCC[C@]3(CCOC3)C2)c(OC)c1 ZINC001141026698 796620631 /nfs/dbraw/zinc/62/06/31/796620631.db2.gz ZKMWPQSLGGVZNL-KRWDZBQOSA-N 0 3 307.390 2.412 20 10 DECDHN Cc1cncnc1O[C@H]1CCCN(Cc2cc(O)ccc2O)C1 ZINC001141163171 796644038 /nfs/dbraw/zinc/64/40/38/796644038.db2.gz SOVIQEYIWHLBQW-HNNXBMFYSA-N 0 3 315.373 2.240 20 10 DECDHN CC(C)(C)NC(=O)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001202490160 798962626 /nfs/dbraw/zinc/96/26/26/798962626.db2.gz DWTAGIGRDQNVNE-UHFFFAOYSA-N 0 3 305.422 2.454 20 10 DECDHN COc1cnc(OC2CC[NH+](Cc3ccccc3[O-])CC2)nc1 ZINC001203561402 800080310 /nfs/dbraw/zinc/08/03/10/800080310.db2.gz UWZBJXQLXQPPOT-UHFFFAOYSA-N 0 3 315.373 2.234 20 10 DECDHN O=C(N[C@@H]1CCCN(Cc2ccccc2O)C1)c1ccccn1 ZINC001203561290 800080336 /nfs/dbraw/zinc/08/03/36/800080336.db2.gz PGMZYKVYSIKNQR-OAHLLOKOSA-N 0 3 311.385 2.182 20 10 DECDHN O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1)N1CCCC1 ZINC001203561700 800080520 /nfs/dbraw/zinc/08/05/20/800080520.db2.gz YDJPDIFSRNNKAY-OAHLLOKOSA-N 0 3 303.406 2.162 20 10 DECDHN O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1)N1CCCC1 ZINC001203561700 800080529 /nfs/dbraw/zinc/08/05/29/800080529.db2.gz YDJPDIFSRNNKAY-OAHLLOKOSA-N 0 3 303.406 2.162 20 10 DECDHN COc1cccc(CN2CCC[C@@H](NC(=O)C3CCC3)C2)c1O ZINC001203601670 800087978 /nfs/dbraw/zinc/08/79/78/800087978.db2.gz GKVOJOBCHRLJHC-OAHLLOKOSA-N 0 3 318.417 2.282 20 10 DECDHN CCOc1cccc(CN2CCC[C@@H](NC(=O)C3CC3)C2)c1O ZINC001203617029 800092073 /nfs/dbraw/zinc/09/20/73/800092073.db2.gz GNHNGGQCPANTTC-OAHLLOKOSA-N 0 3 318.417 2.282 20 10 DECDHN COc1ccc(CN2CCCC[C@@H]2C(=O)N2CCCC2)c(O)c1 ZINC001203627921 800094044 /nfs/dbraw/zinc/09/40/44/800094044.db2.gz RWGAOLKOZPGZCC-MRXNPFEDSA-N 0 3 318.417 2.378 20 10 DECDHN COCCCCN1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC001203937335 800149233 /nfs/dbraw/zinc/14/92/33/800149233.db2.gz VKHFEXUBNZJWGE-UHFFFAOYSA-N 0 3 305.466 2.297 20 10 DECDHN COc1cc(CN2CC[C@H](c3cccnc3)C2)cc(O)c1O ZINC001204345173 800206827 /nfs/dbraw/zinc/20/68/27/800206827.db2.gz NMZHVYOTHFXMFY-AWEZNQCLSA-N 0 3 300.358 2.491 20 10 DECDHN COc1cc([O-])c(CN2CC[C@@H]([NH3+])[C@H]2C)cc1Br ZINC001205196769 800313989 /nfs/dbraw/zinc/31/39/89/800313989.db2.gz AKGMZSDTPCQWBN-LDYMZIIASA-N 0 3 315.211 2.085 20 10 DECDHN COc1ccc(Br)c(CN(C)CC2COC2)c1O ZINC001231554561 801686768 /nfs/dbraw/zinc/68/67/68/801686768.db2.gz XWXYUQYEFKOBBC-UHFFFAOYSA-N 0 3 316.195 2.242 20 10 DECDHN COc1cc(CN2CC[C@H](Oc3cccnc3)C2)c(O)cc1O ZINC001231636350 801700491 /nfs/dbraw/zinc/70/04/91/801700491.db2.gz SWNRRWYGVVYVTA-AWEZNQCLSA-N 0 3 316.357 2.155 20 10 DECDHN COC(=O)c1c(CN2CCC[C@](C)(O)C2)c2ccccc2n1C ZINC001232408280 801873039 /nfs/dbraw/zinc/87/30/39/801873039.db2.gz YRLPFPSOBCOELL-SFHVURJKSA-N 0 3 316.401 2.312 20 10 DECDHN Oc1cc(CN2CCC[C@H]2Cc2ccccn2)cc(O)c1O ZINC001233011526 802002995 /nfs/dbraw/zinc/00/29/95/802002995.db2.gz CFJZFQSGJHCFQM-AWEZNQCLSA-N 0 3 300.358 2.406 20 10 DECDHN Cc1cc(O[C@H]2CC[NH2+]C2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001218181141 802150734 /nfs/dbraw/zinc/15/07/34/802150734.db2.gz IABJSUKPXZQSHS-NSHDSACASA-N 0 3 323.348 2.217 20 10 DECDHN COC(=O)[C@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233727629 802191032 /nfs/dbraw/zinc/19/10/32/802191032.db2.gz NOQZCGKLXHYQLB-JTQLQIEISA-N 0 3 319.279 2.286 20 10 DECDHN COC(=O)[C@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233727629 802191035 /nfs/dbraw/zinc/19/10/35/802191035.db2.gz NOQZCGKLXHYQLB-JTQLQIEISA-N 0 3 319.279 2.286 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2c1 ZINC001234518833 802399858 /nfs/dbraw/zinc/39/98/58/802399858.db2.gz OKBILDKCUARLOV-CYBMUJFWSA-N 0 3 314.385 2.251 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2c1 ZINC001234518833 802399867 /nfs/dbraw/zinc/39/98/67/802399867.db2.gz OKBILDKCUARLOV-CYBMUJFWSA-N 0 3 314.385 2.251 20 10 DECDHN Cc1ccc(C)n1-c1ccc(CN2CC3(C2)CNCCO3)cc1 ZINC001222441574 802686585 /nfs/dbraw/zinc/68/65/85/802686585.db2.gz KTVTXEUAEOERSI-UHFFFAOYSA-N 0 3 311.429 2.268 20 10 DECDHN Cc1ccc(O)c(C[NH2+][C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)c1 ZINC001605875497 1070958955 /nfs/dbraw/zinc/95/89/55/1070958955.db2.gz HBMDHHAEKGZDLE-MRXNPFEDSA-N 0 3 321.384 2.138 20 10 DECDHN C[C@H]([NH2+]Cc1cncc(-c2nnn[n-]2)c1)c1ccc(N(C)C)cc1 ZINC001589972343 1076541236 /nfs/dbraw/zinc/54/12/36/1076541236.db2.gz BDBMOWBXVMYORX-LBPRGKRZSA-N 0 3 323.404 2.179 20 10 DECDHN COCCOC[C@H]1CC[N@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001658808599 1080218945 /nfs/dbraw/zinc/21/89/45/1080218945.db2.gz YEDFFHHWKKNJDU-AWEZNQCLSA-N 0 3 309.406 2.194 20 10 DECDHN COCCOC[C@H]1CC[N@@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001658808599 1080218954 /nfs/dbraw/zinc/21/89/54/1080218954.db2.gz YEDFFHHWKKNJDU-AWEZNQCLSA-N 0 3 309.406 2.194 20 10 DECDHN COc1cccc(CNCc2cc(-c3ccccn3)n[nH]2)c1O ZINC001659116948 1080232076 /nfs/dbraw/zinc/23/20/76/1080232076.db2.gz RYSNZNFWSBQADG-UHFFFAOYSA-N 0 3 310.357 2.476 20 10 DECDHN Cc1cc([O-])c(CN2CC[C@@H]3[NH2+]CC[C@H]32)cc1Br ZINC001235048837 1084286411 /nfs/dbraw/zinc/28/64/11/1084286411.db2.gz KHFCWBHPYLYUPR-QWHCGFSZSA-N 0 3 311.223 2.399 20 10 DECDHN CN1C[C@@H]2C[N@H+](Cc3ccc(C(C)(C)C)cc3[O-])C[C@@H]2C1=O ZINC001235679933 1084496890 /nfs/dbraw/zinc/49/68/90/1084496890.db2.gz RCXYVAIHZFSPFB-HIFRSBDPSA-N 0 3 302.418 2.210 20 10 DECDHN CN1C[C@@H]2C[N@@H+](Cc3ccc(C(C)(C)C)cc3[O-])C[C@@H]2C1=O ZINC001235679933 1084496894 /nfs/dbraw/zinc/49/68/94/1084496894.db2.gz RCXYVAIHZFSPFB-HIFRSBDPSA-N 0 3 302.418 2.210 20 10 DECDHN Cc1cccc(CN2CC3(C2)CCN(C(=O)NC(C)C)C3)c1O ZINC001276079587 1091514898 /nfs/dbraw/zinc/51/48/98/1091514898.db2.gz AMULODVGRFPAJE-UHFFFAOYSA-N 0 3 317.433 2.326 20 10 DECDHN Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2cn[nH]c2)c([O-])c1 ZINC001276168595 1091627484 /nfs/dbraw/zinc/62/74/84/1091627484.db2.gz GTCKBWBYXVDTMY-IRXDYDNUSA-N 0 3 312.417 2.273 20 10 DECDHN Cc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3Cc2cn[nH]c2)c([O-])c1 ZINC001276168595 1091627492 /nfs/dbraw/zinc/62/74/92/1091627492.db2.gz GTCKBWBYXVDTMY-IRXDYDNUSA-N 0 3 312.417 2.273 20 10 DECDHN COc1cc(C)c(C[NH+]2CCC(n3cnnc3)CC2)c([O-])c1 ZINC001236810474 1138436800 /nfs/dbraw/zinc/43/68/00/1138436800.db2.gz HPRFJKOLLYKCMD-UHFFFAOYSA-N 0 3 302.378 2.138 20 10 DECDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001237053371 1138491017 /nfs/dbraw/zinc/49/10/17/1138491017.db2.gz KSPVJWTXLCGOCL-AAEUAGOBSA-N 0 3 323.286 2.238 20 10 DECDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001237053371 1138491020 /nfs/dbraw/zinc/49/10/20/1138491020.db2.gz KSPVJWTXLCGOCL-AAEUAGOBSA-N 0 3 323.286 2.238 20 10 DECDHN Oc1cc(OCC(F)(F)F)ccc1CN1CC[C@H](F)[C@@H](O)C1 ZINC001237053371 1138491028 /nfs/dbraw/zinc/49/10/28/1138491028.db2.gz KSPVJWTXLCGOCL-AAEUAGOBSA-N 0 3 323.286 2.238 20 10 DECDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@H](CO)C1 ZINC001237057301 1138493402 /nfs/dbraw/zinc/49/34/02/1138493402.db2.gz QITHSKCZZIEESC-JTQLQIEISA-N 0 3 305.296 2.148 20 10 DECDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@H](CO)C1 ZINC001237057301 1138493414 /nfs/dbraw/zinc/49/34/14/1138493414.db2.gz QITHSKCZZIEESC-JTQLQIEISA-N 0 3 305.296 2.148 20 10 DECDHN CCC1=NC2(CC[NH+](Cc3c(C)cccc3[O-])CC2)C(=O)N1C ZINC001237494484 1138657757 /nfs/dbraw/zinc/65/77/57/1138657757.db2.gz JLLHHUTWTPGIGB-UHFFFAOYSA-N 0 3 315.417 2.316 20 10 DECDHN COc1cc(CN2CCN(CC(C)C)CC2)c(O)c(OC)c1 ZINC001237669803 1138746384 /nfs/dbraw/zinc/74/63/84/1138746384.db2.gz OIVFBYKJVUEUKT-UHFFFAOYSA-N 0 3 308.422 2.183 20 10 DECDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(CCNC3=O)C2)c1[O-] ZINC001237678408 1138752708 /nfs/dbraw/zinc/75/27/08/1138752708.db2.gz BLFGLCUBFGSWJS-MRXNPFEDSA-N 0 3 308.809 2.456 20 10 DECDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@]3(CCNC3=O)C2)c1[O-] ZINC001237678408 1138752719 /nfs/dbraw/zinc/75/27/19/1138752719.db2.gz BLFGLCUBFGSWJS-MRXNPFEDSA-N 0 3 308.809 2.456 20 10 DECDHN Cc1cc(F)cc(CN2CC[C@@H](Oc3cnccn3)C2)c1O ZINC001238067403 1138819800 /nfs/dbraw/zinc/81/98/00/1138819800.db2.gz SXUITPCTIPUEGU-CQSZACIVSA-N 0 3 303.337 2.283 20 10 DECDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c([O-])c1 ZINC001249171498 1141856846 /nfs/dbraw/zinc/85/68/46/1141856846.db2.gz CMGONZLMXHFXFM-WBVHZDCISA-N 0 3 319.401 2.109 20 10 DECDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c([O-])c1 ZINC001249171498 1141856848 /nfs/dbraw/zinc/85/68/48/1141856848.db2.gz CMGONZLMXHFXFM-WBVHZDCISA-N 0 3 319.401 2.109 20 10 DECDHN Cc1cc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)n[nH]1 ZINC001251724671 1142496572 /nfs/dbraw/zinc/49/65/72/1142496572.db2.gz MZKKOZDAQBIRRL-UHFFFAOYSA-N 0 3 318.396 2.108 20 10 DECDHN O=C(NCc1c([O-])cccc1F)[C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1 ZINC001341125889 1143544733 /nfs/dbraw/zinc/54/47/33/1143544733.db2.gz ZBLRNKOTJWNVAQ-DFBGVHRSSA-N 0 3 306.381 2.458 20 10 DECDHN O=C(NCc1c([O-])cccc1F)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 ZINC001341125890 1143544933 /nfs/dbraw/zinc/54/49/33/1143544933.db2.gz ZBLRNKOTJWNVAQ-GLQYFDAESA-N 0 3 306.381 2.458 20 10 DECDHN C[C@@H](CS(=O)(=O)c1ccccc1)NCc1ccc(O)cc1O ZINC001255802672 1143807302 /nfs/dbraw/zinc/80/73/02/1143807302.db2.gz LHZTXNNUNVFQOA-LBPRGKRZSA-N 0 3 321.398 2.050 20 10 DECDHN CN(C)c1ccc(CNC(=O)CN2CC[C@@H](C3CC3)C2)cc1 ZINC000372856129 529781190 /nfs/dbraw/zinc/78/11/90/529781190.db2.gz HZSSNBVJVUVYSG-MRXNPFEDSA-N 0 3 301.434 2.101 20 10 DECDHN CCOc1ccc([O-])c(C[NH+]2CCC(OCCOC)CC2)c1 ZINC000093339671 193235432 /nfs/dbraw/zinc/23/54/32/193235432.db2.gz CSQFSVPWSAOCGQ-UHFFFAOYSA-N 0 3 309.406 2.418 20 10 DECDHN COc1cccc(CN2CCC[C@H](c3noc(C)n3)C2)c1O ZINC000378347694 533480452 /nfs/dbraw/zinc/48/04/52/533480452.db2.gz BIUZIQQEEFUKRF-ZDUSSCGKSA-N 0 3 303.362 2.472 20 10 DECDHN COc1cccc(C[NH2+][C@H](C)CNC(=O)OC(C)(C)C)c1[O-] ZINC000227689189 533516955 /nfs/dbraw/zinc/51/69/55/533516955.db2.gz GYIQVQYGPSXRGK-LLVKDONJSA-N 0 3 310.394 2.404 20 10 DECDHN Cc1cc(C)nc(N2CCN(Cc3cccc(C)c3O)CC2)n1 ZINC000272992426 130080228 /nfs/dbraw/zinc/08/02/28/130080228.db2.gz XGPOFGPCBXJZLX-UHFFFAOYSA-N 0 3 312.417 2.430 20 10 DECDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H](O)CCc1ccccc1)OCO2 ZINC000273047510 130085354 /nfs/dbraw/zinc/08/53/54/130085354.db2.gz BUNFPEQOVVBEAC-HNNXBMFYSA-N 0 3 315.369 2.204 20 10 DECDHN CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc(OC)ccc1[O-] ZINC000284274846 131065982 /nfs/dbraw/zinc/06/59/82/131065982.db2.gz AHQSTDLNQINEOP-AWEZNQCLSA-N 0 3 306.406 2.282 20 10 DECDHN CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1cc(OC)ccc1[O-] ZINC000284274846 131065983 /nfs/dbraw/zinc/06/59/83/131065983.db2.gz AHQSTDLNQINEOP-AWEZNQCLSA-N 0 3 306.406 2.282 20 10 DECDHN Cc1ccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c([O-])c1O ZINC000371180555 292054137 /nfs/dbraw/zinc/05/41/37/292054137.db2.gz LEZJDAMUPMDNQB-ZDUSSCGKSA-N 0 3 304.390 2.107 20 10 DECDHN C[C@H]1C[C@H](NC(=O)NCc2ccc(N(C)C)cc2)CN1C1CC1 ZINC000119854171 401969037 /nfs/dbraw/zinc/96/90/37/401969037.db2.gz MRSFDAGJGJQZAR-ZFWWWQNUSA-N 0 3 316.449 2.177 20 10 DECDHN COc1cccc(C[N@H+](C)CC(C)(C)CN2CCOCC2)c1[O-] ZINC000093769676 402020239 /nfs/dbraw/zinc/02/02/39/402020239.db2.gz NFQBOBXFSWCDLH-UHFFFAOYSA-N 0 3 322.449 2.191 20 10 DECDHN COc1cccc(C[N@@H+](C)CC(C)(C)CN2CCOCC2)c1[O-] ZINC000093769676 402020241 /nfs/dbraw/zinc/02/02/41/402020241.db2.gz NFQBOBXFSWCDLH-UHFFFAOYSA-N 0 3 322.449 2.191 20 10 DECDHN COc1cccc(CNC(C)(C)C(=O)NCC(C)(C)C)c1O ZINC000121312208 402027535 /nfs/dbraw/zinc/02/75/35/402027535.db2.gz NFAUPMCKTCYCDI-UHFFFAOYSA-N 0 3 308.422 2.431 20 10 DECDHN CC(C)[C@@H](C[NH2+]Cc1cc2c(cc1[O-])OCO2)N1CCCC1 ZINC000063255942 402112193 /nfs/dbraw/zinc/11/21/93/402112193.db2.gz ATEWFJJLPAHYAW-CQSZACIVSA-N 0 3 306.406 2.331 20 10 DECDHN Cc1cc(C(=O)NCCN(C)C2CC2)c(C)n1-c1ccccn1 ZINC000066924036 402147059 /nfs/dbraw/zinc/14/70/59/402147059.db2.gz HSMKLZLLQPICIL-UHFFFAOYSA-N 0 3 312.417 2.313 20 10 DECDHN Cc1ccc([O-])c(C[NH2+]C[C@H](C(C)C)N2CCN(C)CC2)c1 ZINC000103855727 402194495 /nfs/dbraw/zinc/19/44/95/402194495.db2.gz GOAMRDWDVUOBBD-QGZVFWFLSA-N 0 3 305.466 2.062 20 10 DECDHN Cc1cccc(C[NH+]2CCC(CN3CCOCC3)CC2)c1[O-] ZINC000179684811 402598382 /nfs/dbraw/zinc/59/83/82/402598382.db2.gz YQUJDJRNNNTAFM-UHFFFAOYSA-N 0 3 304.434 2.245 20 10 DECDHN C[C@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)N1CCCCCC1 ZINC000183421669 402765710 /nfs/dbraw/zinc/76/57/10/402765710.db2.gz OMUYNRDVXOCOCM-UONOGXRCSA-N 0 3 320.433 2.410 20 10 DECDHN C[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccccc1[O-] ZINC000183448118 402768840 /nfs/dbraw/zinc/76/88/40/402768840.db2.gz OGBKDVIVOINDKK-WMLDXEAASA-N 0 3 322.474 2.251 20 10 DECDHN COc1cccc(CNCc2ccc(NC(C)=O)nc2)c1O ZINC000278690081 402869493 /nfs/dbraw/zinc/86/94/93/402869493.db2.gz PUPWYOOQGFVDEH-UHFFFAOYSA-N 0 3 301.346 2.044 20 10 DECDHN COc1c([O-])c(CNCC[N@H+](C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000278876258 402880737 /nfs/dbraw/zinc/88/07/37/402880737.db2.gz NJXQRQBYIMCMAU-UHFFFAOYSA-N 0 3 323.393 2.273 20 10 DECDHN COc1c([O-])c(CNCC[N@@H+](C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000278876258 402880738 /nfs/dbraw/zinc/88/07/38/402880738.db2.gz NJXQRQBYIMCMAU-UHFFFAOYSA-N 0 3 323.393 2.273 20 10 DECDHN CN(C)c1ccc(CN[C@H]2CC(=O)N(C)C2)c(C(F)(F)F)c1 ZINC000280858240 403044107 /nfs/dbraw/zinc/04/41/07/403044107.db2.gz LVTUYLJMBMRQAS-NSHDSACASA-N 0 3 315.339 2.092 20 10 DECDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000268096026 403048314 /nfs/dbraw/zinc/04/83/14/403048314.db2.gz CTSQMPAVAKGBAF-DYVFJYSZSA-N 0 3 316.449 2.035 20 10 DECDHN [O-]c1cc2c(cc1C[NH2+][C@H]1CCO[C@@]3(CCSC3)C1)OCO2 ZINC000269106015 403123441 /nfs/dbraw/zinc/12/34/41/403123441.db2.gz AVIPVCVRCGTNNE-LRDDRELGSA-N 0 3 323.414 2.265 20 10 DECDHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1 ZINC000282659630 403158143 /nfs/dbraw/zinc/15/81/43/403158143.db2.gz IOMUAPUNQSTFDH-WMLDXEAASA-N 0 3 305.418 2.358 20 10 DECDHN CC(C)C(=O)NC1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000271055416 403258994 /nfs/dbraw/zinc/25/89/94/403258994.db2.gz SSPVXJLVJYHCLI-UHFFFAOYSA-N 0 3 303.450 2.489 20 10 DECDHN CC(=O)NC[C@H]1CCCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000293408620 403464651 /nfs/dbraw/zinc/46/46/51/403464651.db2.gz HZFBMTPWAUFWRM-QGZVFWFLSA-N 0 3 303.450 2.409 20 10 DECDHN CN(Cc1cc2c(cc1O)OCO2)[C@@H](CO)c1ccccc1 ZINC000295094886 403758210 /nfs/dbraw/zinc/75/82/10/403758210.db2.gz SABALOMHRNUABS-AWEZNQCLSA-N 0 3 301.342 2.286 20 10 DECDHN CCCOc1ccc(CN2CC[C@H](OC(=O)N(C)C)C2)c(O)c1 ZINC000295180994 403786060 /nfs/dbraw/zinc/78/60/60/403786060.db2.gz VTDSWXQECCQOBJ-HNNXBMFYSA-N 0 3 322.405 2.454 20 10 DECDHN COc1cc(O)c(CN2CC[C@@H](n3cccn3)C2)cc1OC ZINC000291019156 404371716 /nfs/dbraw/zinc/37/17/16/404371716.db2.gz DGTKTKWEGPXDRG-CYBMUJFWSA-N 0 3 303.362 2.053 20 10 DECDHN CCOc1ccc(O)c(CN2CCC(F)(F)[C@@H](CO)C2)c1 ZINC000291365033 404382008 /nfs/dbraw/zinc/38/20/08/404382008.db2.gz YSRFLZWZGLBFKT-GFCCVEGCSA-N 0 3 301.333 2.240 20 10 DECDHN O=C(C[NH2+][C@@H]1CCc2cccc([O-])c21)NCCc1ccccc1 ZINC000296967031 404392960 /nfs/dbraw/zinc/39/29/60/404392960.db2.gz RJJCGZKJQWHKAL-MRXNPFEDSA-N 0 3 310.397 2.328 20 10 DECDHN COc1ccc(N2CCC(NCc3cc(C)nn3C)CC2)cc1 ZINC000367440141 405048561 /nfs/dbraw/zinc/04/85/61/405048561.db2.gz ZTONTMZOHBJBGI-UHFFFAOYSA-N 0 3 314.433 2.496 20 10 DECDHN O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000193014346 225148891 /nfs/dbraw/zinc/14/88/91/225148891.db2.gz QYBCGLJRHDEURQ-CYBMUJFWSA-N 0 3 304.390 2.188 20 10 DECDHN C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2ccccc2[O-])C[C@@H](C)O1 ZINC000245589067 225220912 /nfs/dbraw/zinc/22/09/12/225220912.db2.gz FUXUZJBDJDRDCR-BFYDXBDKSA-N 0 3 304.434 2.466 20 10 DECDHN C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2ccccc2[O-])C[C@@H](C)O1 ZINC000245589067 225220917 /nfs/dbraw/zinc/22/09/17/225220917.db2.gz FUXUZJBDJDRDCR-BFYDXBDKSA-N 0 3 304.434 2.466 20 10 DECDHN C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1cc(F)ccc1[O-] ZINC000374900215 227141651 /nfs/dbraw/zinc/14/16/51/227141651.db2.gz URKXKCGUFATGLA-INMHGKMJSA-N 0 3 308.397 2.215 20 10 DECDHN Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000418105565 229223457 /nfs/dbraw/zinc/22/34/57/229223457.db2.gz ZWNHBELQFAEEHN-STQMWFEESA-N 0 3 314.433 2.379 20 10 DECDHN CN(C(=O)c1cn[n-]c1[C@@H]1CC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000662530469 425675840 /nfs/dbraw/zinc/67/58/40/425675840.db2.gz ATKKSQNZOSHIIM-SECBINFHSA-N 0 3 306.316 2.041 20 10 DECDHN C[C@H](CNC(=O)NCc1ccc(N(C)C)cc1)N(C)C1CC1 ZINC000075960894 278202536 /nfs/dbraw/zinc/20/25/36/278202536.db2.gz YBQSUKPTVIYDII-CYBMUJFWSA-N 0 3 304.438 2.035 20 10 DECDHN COc1ccc([O-])c([C@H](C)[NH2+]CC2(N(C)C)CCOCC2)c1 ZINC000185449791 333208924 /nfs/dbraw/zinc/20/89/24/333208924.db2.gz RGALLLJJNNDLHB-ZDUSSCGKSA-N 0 3 308.422 2.162 20 10 DECDHN CN(C)c1ccc(/C=C/CN2CCC(CC(N)=O)CC2)cc1 ZINC000835025554 649868193 /nfs/dbraw/zinc/86/81/93/649868193.db2.gz KSGFMNBJKMEXNU-ONEGZZNKSA-N 0 3 301.434 2.353 20 10 DECDHN COc1ccc(N2CCCN(C(=O)C3(N)CCCC3)CC2)cc1 ZINC000237263242 533999069 /nfs/dbraw/zinc/99/90/69/533999069.db2.gz YLBNJCSKFRHKMQ-UHFFFAOYSA-N 0 3 317.433 2.005 20 10 DECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000370703909 534195970 /nfs/dbraw/zinc/19/59/70/534195970.db2.gz VHNWAAUEKXHFLR-WMZOPIPTSA-N 0 3 317.477 2.158 20 10 DECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000370703909 534195976 /nfs/dbraw/zinc/19/59/76/534195976.db2.gz VHNWAAUEKXHFLR-WMZOPIPTSA-N 0 3 317.477 2.158 20 10 DECDHN COc1ccc(O)c(CN2CCC[C@@H](c3noc(C)n3)C2)c1 ZINC000375840894 534198397 /nfs/dbraw/zinc/19/83/97/534198397.db2.gz MMITYEOANUOZIU-GFCCVEGCSA-N 0 3 303.362 2.472 20 10 DECDHN CCN(C)c1ccc([C@@H](C)NCC(=O)NCC(F)(F)F)cc1 ZINC000160538889 520284827 /nfs/dbraw/zinc/28/48/27/520284827.db2.gz JDOIGFVNCQHATJ-LLVKDONJSA-N 0 3 317.355 2.472 20 10 DECDHN O=C(c1ccncc1)N1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000238095631 526850003 /nfs/dbraw/zinc/85/00/03/526850003.db2.gz GCAWQYKUYYPUSE-UHFFFAOYSA-N 0 3 311.385 2.182 20 10 DECDHN Cn1ccnc1[C@H](O)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000180163252 527466789 /nfs/dbraw/zinc/46/67/89/527466789.db2.gz SHHQGOKTLWOSNM-MRXNPFEDSA-N 0 3 319.380 2.210 20 10 DECDHN CCN1CCN(C[C@@H](C)C[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000297513864 535708544 /nfs/dbraw/zinc/70/85/44/535708544.db2.gz CSMJABAWMNFNHH-RDJZCZTQSA-N 0 3 317.477 2.243 20 10 DECDHN COC[C@@](C)(CC(=O)OC)NC/C=C\c1ccc(N(C)C)cc1 ZINC000835048636 649871143 /nfs/dbraw/zinc/87/11/43/649871143.db2.gz WVWGSJJXOGAHLZ-HPFMTEOYSA-N 0 3 320.433 2.324 20 10 DECDHN CN(C)c1ccc(/C=C\CN2CCC3(COC(=O)N3)CC2)cc1 ZINC000835048248 649871167 /nfs/dbraw/zinc/87/11/67/649871167.db2.gz OPOCUVJBGPWIMF-ARJAWSKDSA-N 0 3 315.417 2.340 20 10 DECDHN CN(C)c1ccc(/C=C/CN2CCN(CCO)C(C)(C)C2)cc1 ZINC000835046073 649871194 /nfs/dbraw/zinc/87/11/94/649871194.db2.gz RIZLDHJHCSGSLN-AATRIKPKSA-N 0 3 317.477 2.154 20 10 DECDHN CCC[C@@H](OC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891249248 623793499 /nfs/dbraw/zinc/79/34/99/623793499.db2.gz PWNUEBWGMCAXCO-DLBZAZTESA-N 0 3 321.465 2.287 20 10 DECDHN CS/C=C/C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891250650 623795326 /nfs/dbraw/zinc/79/53/26/623795326.db2.gz BHWRXJMGLXKINS-AUECHBEKSA-N 0 3 307.463 2.348 20 10 DECDHN Cc1[nH]ccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891250646 623795401 /nfs/dbraw/zinc/79/54/01/623795401.db2.gz BHBXTYZJFVXXCD-KRWDZBQOSA-N 0 3 314.433 2.422 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccoc2)N(C)C)cc1 ZINC000891255198 623802052 /nfs/dbraw/zinc/80/20/52/623802052.db2.gz NQJZAOUGEJCNMT-MRXNPFEDSA-N 0 3 301.390 2.378 20 10 DECDHN CNC(=O)NC1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000840974236 635977687 /nfs/dbraw/zinc/97/76/87/635977687.db2.gz BYVITINVKHASAJ-SNAWJCMRSA-N 0 3 316.449 2.159 20 10 DECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000840974291 635979094 /nfs/dbraw/zinc/97/90/94/635979094.db2.gz FDFNPGBCJHCIPA-AWEZNQCLSA-N 0 3 318.417 2.378 20 10 DECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000840974291 635979095 /nfs/dbraw/zinc/97/90/95/635979095.db2.gz FDFNPGBCJHCIPA-AWEZNQCLSA-N 0 3 318.417 2.378 20 10 DECDHN COC(=O)c1c(CN[C@@H](C)C[C@@H](C)O)c2cc(F)ccc2n1C ZINC000894437138 637038924 /nfs/dbraw/zinc/03/89/24/637038924.db2.gz NIEKAGBNDULJLL-WDEREUQCSA-N 0 3 322.380 2.353 20 10 DECDHN COC(=O)c1c(CN[C@H](C)C[C@H](C)O)c2cc(F)ccc2n1C ZINC000894437134 637039046 /nfs/dbraw/zinc/03/90/46/637039046.db2.gz NIEKAGBNDULJLL-MNOVXSKESA-N 0 3 322.380 2.353 20 10 DECDHN C[C@H]([NH2+]CC(C)(C)[C@@H]1COCC12OCCO2)c1ccccc1[O-] ZINC000840795870 650359071 /nfs/dbraw/zinc/35/90/71/650359071.db2.gz CAFVYXVOWOHIAR-BBRMVZONSA-N 0 3 321.417 2.459 20 10 DECDHN C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ccn(C)n1 ZINC000839191995 637815725 /nfs/dbraw/zinc/81/57/25/637815725.db2.gz RQXOQXFJHFNFHU-OAHLLOKOSA-N 0 3 313.449 2.023 20 10 DECDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@](O)(CO)C1 ZINC000839159683 637816983 /nfs/dbraw/zinc/81/69/83/637816983.db2.gz ONYCJXFDCLHLBG-LJQANCHMSA-N 0 3 313.397 2.378 20 10 DECDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000839159683 637816984 /nfs/dbraw/zinc/81/69/84/637816984.db2.gz ONYCJXFDCLHLBG-LJQANCHMSA-N 0 3 313.397 2.378 20 10 DECDHN Cc1cc([O-])c(C[NH2+][C@@H](C)CN2CCN(C)CC2)c(Cl)c1 ZINC000840895155 650372898 /nfs/dbraw/zinc/37/28/98/650372898.db2.gz JJTSFRSRPWKYHU-ZDUSSCGKSA-N 0 3 311.857 2.080 20 10 DECDHN Oc1cc2c(cc1CN1C[C@@H](O)C[C@H]1c1ccccc1)OCO2 ZINC000840956172 650395277 /nfs/dbraw/zinc/39/52/77/650395277.db2.gz KGOGOPZMVVOEDI-GJZGRUSLSA-N 0 3 313.353 2.429 20 10 DECDHN COc1cccc(O)c1CN1CC[C@](CO)(C(F)(F)F)C1 ZINC000895843889 638221680 /nfs/dbraw/zinc/22/16/80/638221680.db2.gz JKFHWXSKDIMLEN-ZDUSSCGKSA-N 0 3 305.296 2.148 20 10 DECDHN Cc1ccc(C[NH+]2CCC([C@@]3(C)COC(=O)N3)CC2)c([O-])c1 ZINC000896471447 638532184 /nfs/dbraw/zinc/53/21/84/638532184.db2.gz LQYWNFVCIFFKAE-QGZVFWFLSA-N 0 3 304.390 2.411 20 10 DECDHN [O-]c1ccc(Br)cc1CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000841105311 650432068 /nfs/dbraw/zinc/43/20/68/650432068.db2.gz JVSTUKDGAUHIOI-CQSZACIVSA-N 0 3 311.223 2.483 20 10 DECDHN CN1CCN(c2ccc(CN3CCn4cccc4C3)cc2)CC1 ZINC000896761102 638668977 /nfs/dbraw/zinc/66/89/77/638668977.db2.gz KRSRIJCGQMIKQO-UHFFFAOYSA-N 0 3 310.445 2.256 20 10 DECDHN CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756703267 639687057 /nfs/dbraw/zinc/68/70/57/639687057.db2.gz AWTWBXWBFMJHBU-JFGNBEQYSA-N 0 3 315.410 2.492 20 10 DECDHN C[C@H]([NH2+]CCS(=O)(=O)CC1CC1)c1cc(F)ccc1[O-] ZINC000756758103 639692080 /nfs/dbraw/zinc/69/20/80/639692080.db2.gz HCCALARYYRAMOE-JTQLQIEISA-N 0 3 301.383 2.007 20 10 DECDHN Nc1ccc(CCNC(=O)NC[C@@H]2CCCCN2C2CC2)cc1 ZINC000841886044 650593436 /nfs/dbraw/zinc/59/34/36/650593436.db2.gz JZTSBJLJRCTOQX-KRWDZBQOSA-N 0 3 316.449 2.127 20 10 DECDHN COCC1([NH2+]Cc2cc(Br)cc(OC)c2[O-])CC1 ZINC000765268763 640759197 /nfs/dbraw/zinc/75/91/97/640759197.db2.gz CSHQHFFBBWRSPE-UHFFFAOYSA-N 0 3 316.195 2.432 20 10 DECDHN CCOc1cccc(CN2CCN(C[C@@H]3CCCO3)CC2)c1O ZINC000768193255 641058698 /nfs/dbraw/zinc/05/86/98/641058698.db2.gz YYWGAFUNSLSTMG-INIZCTEOSA-N 0 3 320.433 2.088 20 10 DECDHN Cc1cc(O)c(CN2CCN(C[C@H]3CCCO3)CC2)cc1C ZINC000768190875 641058710 /nfs/dbraw/zinc/05/87/10/641058710.db2.gz CWGWBZYRSWXQTL-QGZVFWFLSA-N 0 3 304.434 2.306 20 10 DECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000768347854 641070439 /nfs/dbraw/zinc/07/04/39/641070439.db2.gz VYNGWWZFKNKKEW-CQSZACIVSA-N 0 3 318.417 2.139 20 10 DECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000768347854 641070441 /nfs/dbraw/zinc/07/04/41/641070441.db2.gz VYNGWWZFKNKKEW-CQSZACIVSA-N 0 3 318.417 2.139 20 10 DECDHN Oc1cc2c(cc1CN1CCc3ccsc3C1)[C@@H](O)CO2 ZINC000768466253 641085916 /nfs/dbraw/zinc/08/59/16/641085916.db2.gz WWVRNFOYRVMRMK-AWEZNQCLSA-N 0 3 303.383 2.438 20 10 DECDHN C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccccc1[O-] ZINC000770509737 641379000 /nfs/dbraw/zinc/37/90/00/641379000.db2.gz RYMDTKQMRZEBCO-LBPRGKRZSA-N 0 3 320.414 2.233 20 10 DECDHN C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccccc1[O-] ZINC000770509737 641379006 /nfs/dbraw/zinc/37/90/06/641379006.db2.gz RYMDTKQMRZEBCO-LBPRGKRZSA-N 0 3 320.414 2.233 20 10 DECDHN Cc1cnc(CNC[C@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000898451557 641663412 /nfs/dbraw/zinc/66/34/12/641663412.db2.gz ZMXINTRDGJMALZ-MRXNPFEDSA-N 0 3 302.422 2.442 20 10 DECDHN C[C@@H](N[C@@H](Cc1ccccc1)C(N)=O)c1ccc(N(C)C)cc1 ZINC000774480042 641908729 /nfs/dbraw/zinc/90/87/29/641908729.db2.gz YVQHQCMPRRKLPY-KDOFPFPSSA-N 0 3 311.429 2.500 20 10 DECDHN C[C@@H](N[C@@H](C)C(=O)Nc1ncccn1)c1ccc(N(C)C)cc1 ZINC000774487280 641910219 /nfs/dbraw/zinc/91/02/19/641910219.db2.gz YPDWSBVWWWVCGQ-OLZOCXBDSA-N 0 3 313.405 2.220 20 10 DECDHN C[C@@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)[C@@H]1C ZINC000899104906 641936345 /nfs/dbraw/zinc/93/63/45/641936345.db2.gz SRZOQQFUZAXSID-CPUCHLNUSA-N 0 3 318.465 2.405 20 10 DECDHN CC[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CCO1 ZINC000775648766 642071617 /nfs/dbraw/zinc/07/16/17/642071617.db2.gz WVPLVLDLLPXIMN-GOSISDBHSA-N 0 3 303.450 2.049 20 10 DECDHN Cc1n[nH]c(C)c1NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775836673 642103644 /nfs/dbraw/zinc/10/36/44/642103644.db2.gz PDHAGSLOVDKNMZ-LLVKDONJSA-N 0 3 315.421 2.382 20 10 DECDHN CCCNC(=S)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899725077 642150565 /nfs/dbraw/zinc/15/05/65/642150565.db2.gz SDJIKFLFRXIUHY-HNNXBMFYSA-N 0 3 308.495 2.229 20 10 DECDHN COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000776867892 642214426 /nfs/dbraw/zinc/21/44/26/642214426.db2.gz NXMCSKHMDVPYLQ-SGIREYDYSA-N 0 3 313.369 2.002 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCn3ccnc3C2)c1[O-] ZINC000779194142 642471177 /nfs/dbraw/zinc/47/11/77/642471177.db2.gz WBUPJTIFCAMBHB-GFCCVEGCSA-N 0 3 307.781 2.355 20 10 DECDHN C[C@H](CCO)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000779339209 642489149 /nfs/dbraw/zinc/48/91/49/642489149.db2.gz AINJLLTXNJXJMM-IUODEOHRSA-N 0 3 312.841 2.371 20 10 DECDHN COc1cccc([O-])c1C[NH2+]C1CCN(c2cc(C)[nH]n2)CC1 ZINC000783995979 643081010 /nfs/dbraw/zinc/08/10/10/643081010.db2.gz AESMHOUBUVEZND-UHFFFAOYSA-N 0 3 316.405 2.191 20 10 DECDHN C[C@]12CC[N@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C[C@H]1C2(F)F ZINC000793524281 644266589 /nfs/dbraw/zinc/26/65/89/644266589.db2.gz HBHCPDARFFJBGN-YUELXQCFSA-N 0 3 311.328 2.295 20 10 DECDHN C[C@]12CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C[C@H]1C2(F)F ZINC000793524281 644266595 /nfs/dbraw/zinc/26/65/95/644266595.db2.gz HBHCPDARFFJBGN-YUELXQCFSA-N 0 3 311.328 2.295 20 10 DECDHN CC[C@H]([NH2+]C[C@H]1CC[C@@H](C(=O)N(C)C)O1)c1ccc(C)cc1[O-] ZINC000794817981 644480210 /nfs/dbraw/zinc/48/02/10/644480210.db2.gz RWPRAMVJGLBBJW-KMFMINBZSA-N 0 3 320.433 2.377 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)OCC2CC2)N(C)C)cc1 ZINC000908460797 644867424 /nfs/dbraw/zinc/86/74/24/644867424.db2.gz ZDEGVPQCBBHUPJ-INIZCTEOSA-N 0 3 305.422 2.492 20 10 DECDHN CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cc(C)ccc3[O-])[C@H]2C1 ZINC000808445807 646085616 /nfs/dbraw/zinc/08/56/16/646085616.db2.gz ZXWCKXDRMJMCTI-XIRDDKMYSA-N 0 3 302.418 2.437 20 10 DECDHN CCOc1ccc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c([O-])c1 ZINC000809700715 646265814 /nfs/dbraw/zinc/26/58/14/646265814.db2.gz MZZIYBHJWDVJQI-ZBFHGGJFSA-N 0 3 320.433 2.086 20 10 DECDHN CCOc1ccc(C[N@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c([O-])c1 ZINC000809700715 646265821 /nfs/dbraw/zinc/26/58/21/646265821.db2.gz MZZIYBHJWDVJQI-ZBFHGGJFSA-N 0 3 320.433 2.086 20 10 DECDHN COc1cccc(C[N@@H+]2CCC[C@H](CCNC(C)=O)C2)c1[O-] ZINC000809778210 646282201 /nfs/dbraw/zinc/28/22/01/646282201.db2.gz MKHVXIKIQIWPFR-CQSZACIVSA-N 0 3 306.406 2.139 20 10 DECDHN COc1cccc(C[N@H+]2CCC[C@H](CCNC(C)=O)C2)c1[O-] ZINC000809778210 646282207 /nfs/dbraw/zinc/28/22/07/646282207.db2.gz MKHVXIKIQIWPFR-CQSZACIVSA-N 0 3 306.406 2.139 20 10 DECDHN CCCN(C)CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000730281516 646889021 /nfs/dbraw/zinc/88/90/21/646889021.db2.gz ZMEJRDANIHTGST-HNNXBMFYSA-N 0 3 319.449 2.042 20 10 DECDHN CCCN(CC(=O)N1CCOC(C)(C)C1)Cc1ccccc1O ZINC000929753344 647021629 /nfs/dbraw/zinc/02/16/29/647021629.db2.gz NVFKCWRPPKJELF-UHFFFAOYSA-N 0 3 320.433 2.242 20 10 DECDHN CN(C)c1ccc(CNCc2ccc3c(c2)oc(=O)n3C)cc1 ZINC000816531412 647148034 /nfs/dbraw/zinc/14/80/34/647148034.db2.gz QTEMDKXLHWRRLL-UHFFFAOYSA-N 0 3 311.385 2.487 20 10 DECDHN CCOc1ccc(C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)c([O-])c1 ZINC000816666134 647165473 /nfs/dbraw/zinc/16/54/73/647165473.db2.gz FOEZUGBSTDAUQQ-QZTJIDSGSA-N 0 3 321.417 2.201 20 10 DECDHN CCC[NH+]1CCC(CNC(=O)NCc2c([O-])cccc2F)CC1 ZINC000915678711 647600808 /nfs/dbraw/zinc/60/08/08/647600808.db2.gz RELQPYPFHAMAIC-UHFFFAOYSA-N 0 3 323.412 2.453 20 10 DECDHN Cc1cc(O)c(CN2CCN(CC(C)(C)O)CC2)cc1Cl ZINC000824682975 648635347 /nfs/dbraw/zinc/63/53/47/648635347.db2.gz QZYMNWMZONKOFZ-UHFFFAOYSA-N 0 3 312.841 2.243 20 10 DECDHN C[C@@H](CC(N)=O)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000825046652 648691590 /nfs/dbraw/zinc/69/15/90/648691590.db2.gz WKBCDCYBVYSEAU-ZDUSSCGKSA-N 0 3 314.385 2.325 20 10 DECDHN Cn1ccnc1N1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000827891360 649099769 /nfs/dbraw/zinc/09/97/69/649099769.db2.gz IUEWMVCGEPPVCL-UHFFFAOYSA-N 0 3 306.797 2.101 20 10 DECDHN COc1cc(Br)cc(C[N@H+](C)C2(CO)CC2)c1[O-] ZINC000827903219 649102554 /nfs/dbraw/zinc/10/25/54/649102554.db2.gz GBAIDUMNLYBSFU-UHFFFAOYSA-N 0 3 316.195 2.120 20 10 DECDHN COc1cc(Br)cc(C[N@@H+](C)C2(CO)CC2)c1[O-] ZINC000827903219 649102556 /nfs/dbraw/zinc/10/25/56/649102556.db2.gz GBAIDUMNLYBSFU-UHFFFAOYSA-N 0 3 316.195 2.120 20 10 DECDHN Cc1cc(CN2CC[C@H](NC(N)=O)C2)ccc1N1CCCCC1 ZINC000828564236 649196514 /nfs/dbraw/zinc/19/65/14/649196514.db2.gz NWWDBXAKJWWMQL-INIZCTEOSA-N 0 3 316.449 2.228 20 10 DECDHN CN(C)c1ccc(/C=C/CNC[C@H]2CN(C3CC3)C(=O)O2)cc1 ZINC000848576257 651473423 /nfs/dbraw/zinc/47/34/23/651473423.db2.gz LFQLUIVTWHGVMA-IDOMTICXSA-N 0 3 315.417 2.339 20 10 DECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000850397605 651920389 /nfs/dbraw/zinc/92/03/89/651920389.db2.gz YVWAZARBHAYUSX-LBPRGKRZSA-N 0 3 306.406 2.137 20 10 DECDHN CCn1cncc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000850406333 651923058 /nfs/dbraw/zinc/92/30/58/651923058.db2.gz CBHJJFKTGPYNLN-UHFFFAOYSA-N 0 3 314.433 2.154 20 10 DECDHN CC[C@@H](NCc1n[nH]c(COC)n1)c1ccc(N(C)C)cc1 ZINC000850515543 651942950 /nfs/dbraw/zinc/94/29/50/651942950.db2.gz YFAHGMPOTRVHMB-CQSZACIVSA-N 0 3 303.410 2.258 20 10 DECDHN CCS(=O)(=O)C1(CN[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000850557748 651953084 /nfs/dbraw/zinc/95/30/84/651953084.db2.gz PSENUPGWBDZMKA-CYBMUJFWSA-N 0 3 310.463 2.371 20 10 DECDHN COC(CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)OC ZINC000851841603 652255987 /nfs/dbraw/zinc/25/59/87/652255987.db2.gz VOMLKLDEKXEXGO-OAHLLOKOSA-N 0 3 309.406 2.382 20 10 DECDHN COC(CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)OC ZINC000851841603 652255991 /nfs/dbraw/zinc/25/59/91/652255991.db2.gz VOMLKLDEKXEXGO-OAHLLOKOSA-N 0 3 309.406 2.382 20 10 DECDHN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc3c2CNC3)c1 ZINC000852802324 652459539 /nfs/dbraw/zinc/45/95/39/652459539.db2.gz MSVQRZBERWSNQC-LLVKDONJSA-N 0 3 312.369 2.495 20 10 DECDHN COc1ccc(O)c(CN[C@@](C)(CO)c2cccc(O)c2)c1 ZINC000862433596 686302093 /nfs/dbraw/zinc/30/20/93/686302093.db2.gz YPOCWLWURORLEM-KRWDZBQOSA-N 0 3 303.358 2.104 20 10 DECDHN Cc1cc(N(C)C)ccc1CN[C@H]1CCN(C2CCC2)C1=O ZINC000862550891 686321154 /nfs/dbraw/zinc/32/11/54/686321154.db2.gz OEMWOODMUZOCQF-KRWDZBQOSA-N 0 3 301.434 2.304 20 10 DECDHN Cc1nocc1CNCc1ccc(N2CCN(C)CC2)cc1 ZINC000865678855 687299453 /nfs/dbraw/zinc/29/94/53/687299453.db2.gz ROQMVAYKPCXAEB-UHFFFAOYSA-N 0 3 300.406 2.025 20 10 DECDHN O=C1NCCN1Cc1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000865816268 687343684 /nfs/dbraw/zinc/34/36/84/687343684.db2.gz DMXWCUUUNVAQRW-UHFFFAOYSA-N 0 3 311.385 2.207 20 10 DECDHN CN(Cc1cc2c(cc1O)CCC2)[C@@H]1CCCCN(C)C1=O ZINC000872673906 689062337 /nfs/dbraw/zinc/06/23/37/689062337.db2.gz SAEAGSIBDVTSBX-MRXNPFEDSA-N 0 3 302.418 2.324 20 10 DECDHN CCN1CC[C@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033700407 689588883 /nfs/dbraw/zinc/58/88/83/689588883.db2.gz YAFLKJZVDLWHPM-ZDUSSCGKSA-N 0 3 303.366 2.015 20 10 DECDHN Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)c([O-])c1 ZINC000876810320 689943812 /nfs/dbraw/zinc/94/38/12/689943812.db2.gz RLUATJPWDFOAHM-NVXWUHKLSA-N 0 3 315.417 2.380 20 10 DECDHN Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)c([O-])c1 ZINC000876810320 689943814 /nfs/dbraw/zinc/94/38/14/689943814.db2.gz RLUATJPWDFOAHM-NVXWUHKLSA-N 0 3 315.417 2.380 20 10 DECDHN COc1ccc(N2CC[C@@H](NC(=O)[C@H](N)CCC(C)C)C2)cc1 ZINC000876959777 689983336 /nfs/dbraw/zinc/98/33/36/689983336.db2.gz OZBLLFJNRQCBGI-RHSMWYFYSA-N 0 3 319.449 2.154 20 10 DECDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000876972538 689986788 /nfs/dbraw/zinc/98/67/88/689986788.db2.gz VIDDJGDWULCNMO-CQSZACIVSA-N 0 3 305.349 2.369 20 10 DECDHN COc1cccc(CN2C[C@@H](O)[C@H](Oc3ccccc3)C2)c1O ZINC000877666167 690183574 /nfs/dbraw/zinc/18/35/74/690183574.db2.gz YVEZGNBKDDQDOU-NVXWUHKLSA-N 0 3 315.369 2.025 20 10 DECDHN CCOc1ccc(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c([O-])c1 ZINC000877693464 690193175 /nfs/dbraw/zinc/19/31/75/690193175.db2.gz HIJMSJJLKMRREY-WCQYABFASA-N 0 3 319.323 2.394 20 10 DECDHN CCOc1ccc(C[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c([O-])c1 ZINC000877693464 690193178 /nfs/dbraw/zinc/19/31/78/690193178.db2.gz HIJMSJJLKMRREY-WCQYABFASA-N 0 3 319.323 2.394 20 10 DECDHN CCOc1ccc(CN2C[C@@H](CO)[C@H](C(F)(F)F)C2)c(O)c1 ZINC000877693464 690193180 /nfs/dbraw/zinc/19/31/80/690193180.db2.gz HIJMSJJLKMRREY-WCQYABFASA-N 0 3 319.323 2.394 20 10 DECDHN CCOc1cccc(CN2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1O ZINC000877693643 690194245 /nfs/dbraw/zinc/19/42/45/690194245.db2.gz MPORZIMFHZDICG-NWDGAFQWSA-N 0 3 319.323 2.394 20 10 DECDHN COc1ccc(N2CCN(CC3(O)CCCC3)CC2)c(OC)c1 ZINC000879462717 690647127 /nfs/dbraw/zinc/64/71/27/690647127.db2.gz SOMZIUHQLNAWSV-UHFFFAOYSA-N 0 3 320.433 2.131 20 10 DECDHN CCOC(=O)c1c(C)[nH]nc1CN[C@H](C)c1ccccc1O ZINC000879648935 690699079 /nfs/dbraw/zinc/69/90/79/690699079.db2.gz GQFVRWJQDCGFSX-SNVBAGLBSA-N 0 3 303.362 2.451 20 10 DECDHN C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000879649533 690699417 /nfs/dbraw/zinc/69/94/17/690699417.db2.gz VPJPFMPDRYAASL-OLZOCXBDSA-N 0 3 324.421 2.271 20 10 DECDHN COC1CCN(c2ccc(CN3CC=C[C@H]3CO)cc2)CC1 ZINC000880491427 690911169 /nfs/dbraw/zinc/91/11/69/690911169.db2.gz JFEPVKVJZBFDQG-KRWDZBQOSA-N 0 3 302.418 2.035 20 10 DECDHN CC[C@](C)(N)c1cn(Cc2cc(Cl)cc(C(C)=O)c2O)nn1 ZINC000880999302 691010845 /nfs/dbraw/zinc/01/08/45/691010845.db2.gz JZVXIPLZQLOWBX-HNNXBMFYSA-N 0 3 322.796 2.472 20 10 DECDHN CN(C)c1ccc(CNC[C@H](O)C(F)(F)C(F)(F)F)cc1 ZINC000883366672 691490501 /nfs/dbraw/zinc/49/05/01/691490501.db2.gz YCAMFOUUVRMXJY-NSHDSACASA-N 0 3 312.282 2.401 20 10 DECDHN CCOc1ccc(C[NH2+][C@@H](COC)[C@H]2CCCOC2)c([O-])c1 ZINC000886359399 692065370 /nfs/dbraw/zinc/06/53/70/692065370.db2.gz BNLHMNXOYUWAOI-HOCLYGCPSA-N 0 3 309.406 2.322 20 10 DECDHN C[C@@H]([NH2+][C@H]1CNCC2(CCOCC2)C1)c1ccc(F)cc1[O-] ZINC000925793069 693342950 /nfs/dbraw/zinc/34/29/50/693342950.db2.gz QLUJRJQJWASHKI-TZMCWYRMSA-N 0 3 308.397 2.341 20 10 DECDHN C[C@]1(CO)CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233727367 782314925 /nfs/dbraw/zinc/31/49/25/782314925.db2.gz MIXWLWFKXPUIAZ-ZDUSSCGKSA-N 0 3 305.296 2.495 20 10 DECDHN C[C@]1(CO)CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233727367 782314934 /nfs/dbraw/zinc/31/49/34/782314934.db2.gz MIXWLWFKXPUIAZ-ZDUSSCGKSA-N 0 3 305.296 2.495 20 10 DECDHN Oc1cc(O)c(CN2CCO[C@H](c3ccccc3)C2)c(O)c1 ZINC001144508895 790940259 /nfs/dbraw/zinc/94/02/59/790940259.db2.gz CGVFGKRNOGTHFN-KRWDZBQOSA-N 0 3 301.342 2.377 20 10 DECDHN Oc1cc(O)c(CN2CCO[C@@H](c3ccccc3)C2)c(O)c1 ZINC001144508896 790940398 /nfs/dbraw/zinc/94/03/98/790940398.db2.gz CGVFGKRNOGTHFN-QGZVFWFLSA-N 0 3 301.342 2.377 20 10 DECDHN CC(C)N1CC[C@@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994653 784296629 /nfs/dbraw/zinc/29/66/29/784296629.db2.gz QYJPGOCCSODZMW-CQSZACIVSA-N 0 3 317.393 2.404 20 10 DECDHN COC(=O)[C@@H]1CC[C@H](N2CCCc3cc(O)c(O)cc3C2)C1 ZINC001170564029 787637897 /nfs/dbraw/zinc/63/78/97/787637897.db2.gz OHHUDRDPLYGMHS-OCCSQVGLSA-N 0 3 305.374 2.188 20 10 DECDHN Cc1cc(CN2CC[C@@H](CO)[C@H](O)C2)c(C)n1-c1ccccc1 ZINC001137854108 796146490 /nfs/dbraw/zinc/14/64/90/796146490.db2.gz INZPFXVXIMGYJY-QFBILLFUSA-N 0 3 314.429 2.269 20 10 DECDHN Oc1ccc(F)cc1CN1CC[C@H](Oc2ncc(F)cn2)C1 ZINC001140056109 796471061 /nfs/dbraw/zinc/47/10/61/796471061.db2.gz IJWJRUOLBFYZKZ-ZDUSSCGKSA-N 0 3 307.300 2.114 20 10 DECDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](Oc2ncc(F)cn2)C1 ZINC001140056109 796471067 /nfs/dbraw/zinc/47/10/67/796471067.db2.gz IJWJRUOLBFYZKZ-ZDUSSCGKSA-N 0 3 307.300 2.114 20 10 DECDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](Oc2ncc(F)cn2)C1 ZINC001140056109 796471071 /nfs/dbraw/zinc/47/10/71/796471071.db2.gz IJWJRUOLBFYZKZ-ZDUSSCGKSA-N 0 3 307.300 2.114 20 10 DECDHN C[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2F)[C@H]1CO ZINC001140660541 796552308 /nfs/dbraw/zinc/55/23/08/796552308.db2.gz VMRCTPFMJBHTSB-KSSFIOAISA-N 0 3 322.424 2.255 20 10 DECDHN Fc1cc(N2CCOCC2)ccc1CN1CC[C@@H]2OCC[C@@H]2C1 ZINC001140664584 796553430 /nfs/dbraw/zinc/55/34/30/796553430.db2.gz MOJXDXGFXOEZBR-QAPCUYQASA-N 0 3 320.408 2.273 20 10 DECDHN Cc1ccc(C[N@@H+]2C[C@H]3CN(c4cccnc4)C(=O)[C@H]3C2)c([O-])c1 ZINC001140949372 796605510 /nfs/dbraw/zinc/60/55/10/796605510.db2.gz AKTBJSYVZSRVOT-RDJZCZTQSA-N 0 3 323.396 2.190 20 10 DECDHN Cc1ccc(C[N@H+]2C[C@H]3CN(c4cccnc4)C(=O)[C@H]3C2)c([O-])c1 ZINC001140949372 796605513 /nfs/dbraw/zinc/60/55/13/796605513.db2.gz AKTBJSYVZSRVOT-RDJZCZTQSA-N 0 3 323.396 2.190 20 10 DECDHN COc1cc([O-])c(C[NH+]2CCC(n3cccn3)CC2)c(OC)c1 ZINC001141029682 796621045 /nfs/dbraw/zinc/62/10/45/796621045.db2.gz ZTTKMFIRGHYNHZ-UHFFFAOYSA-N 0 3 317.389 2.443 20 10 DECDHN CC[N@H+](CCn1ccnc1)Cc1c([O-])cc(OC)cc1OC ZINC001141030644 796621145 /nfs/dbraw/zinc/62/11/45/796621145.db2.gz FFFOIQXJHRUBHG-UHFFFAOYSA-N 0 3 305.378 2.128 20 10 DECDHN CC[N@@H+](CCn1ccnc1)Cc1c([O-])cc(OC)cc1OC ZINC001141030644 796621149 /nfs/dbraw/zinc/62/11/49/796621149.db2.gz FFFOIQXJHRUBHG-UHFFFAOYSA-N 0 3 305.378 2.128 20 10 DECDHN Oc1ccc(O)c(CN2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC001141156342 796641307 /nfs/dbraw/zinc/64/13/07/796641307.db2.gz JYNQOZOOZCPXEE-ZDUSSCGKSA-N 0 3 305.296 2.377 20 10 DECDHN CCN(CCNC(=O)OC(C)(C)C)Cc1cc(O)ccc1O ZINC001141162623 796643309 /nfs/dbraw/zinc/64/33/09/796643309.db2.gz XTFLEYQDWRQWAW-UHFFFAOYSA-N 0 3 310.394 2.444 20 10 DECDHN [O-]c1ccccc1C[NH+]1C[C@H]2CN(Cc3cccnc3)C[C@@H]2C1 ZINC001203552070 800078749 /nfs/dbraw/zinc/07/87/49/800078749.db2.gz ZATXOYSUKBDMRF-QZTJIDSGSA-N 0 3 309.413 2.351 20 10 DECDHN COc1ccc(C[NH+]2CCC(N(C)C(=O)C(C)C)CC2)c([O-])c1 ZINC001203634809 800095474 /nfs/dbraw/zinc/09/54/74/800095474.db2.gz WNCOFOHMKYYRNQ-UHFFFAOYSA-N 0 3 320.433 2.480 20 10 DECDHN COc1ccc(C[N@@H+]2CC[C@H](Oc3ccccn3)C2)c([O-])c1 ZINC001203634339 800095797 /nfs/dbraw/zinc/09/57/97/800095797.db2.gz ABXBOSJRGIRZIM-HNNXBMFYSA-N 0 3 300.358 2.449 20 10 DECDHN COc1ccc(C[N@H+]2CC[C@H](Oc3ccccn3)C2)c([O-])c1 ZINC001203634339 800095810 /nfs/dbraw/zinc/09/58/10/800095810.db2.gz ABXBOSJRGIRZIM-HNNXBMFYSA-N 0 3 300.358 2.449 20 10 DECDHN CN(C)c1ccc(CN2CC[C@H](Oc3ncc(F)cn3)C2)cc1 ZINC001203935326 800148178 /nfs/dbraw/zinc/14/81/78/800148178.db2.gz DTGLRZQSTAHCPL-INIZCTEOSA-N 0 3 316.380 2.335 20 10 DECDHN CN(C)c1ccc(CN2CCOC[C@H](O)C2)c2ccccc21 ZINC001204233016 800192619 /nfs/dbraw/zinc/19/26/19/800192619.db2.gz NGYUZCNDXINPBF-OAHLLOKOSA-N 0 3 300.402 2.099 20 10 DECDHN CC(C)C(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(O)cc3[O-])CC[C@H]21 ZINC001204274090 800197909 /nfs/dbraw/zinc/19/79/09/800197909.db2.gz IAKALGLYZLIWIQ-CZUORRHYSA-N 0 3 318.417 2.177 20 10 DECDHN CC(C)C(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(O)cc3[O-])CC[C@H]21 ZINC001204274090 800197912 /nfs/dbraw/zinc/19/79/12/800197912.db2.gz IAKALGLYZLIWIQ-CZUORRHYSA-N 0 3 318.417 2.177 20 10 DECDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001204276800 800199369 /nfs/dbraw/zinc/19/93/69/800199369.db2.gz ROTHJHDHURLRMA-ZDUSSCGKSA-N 0 3 305.296 2.377 20 10 DECDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001204276800 800199370 /nfs/dbraw/zinc/19/93/70/800199370.db2.gz ROTHJHDHURLRMA-ZDUSSCGKSA-N 0 3 305.296 2.377 20 10 DECDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC001204276799 800199505 /nfs/dbraw/zinc/19/95/05/800199505.db2.gz ROTHJHDHURLRMA-CYBMUJFWSA-N 0 3 305.296 2.377 20 10 DECDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC001204276799 800199509 /nfs/dbraw/zinc/19/95/09/800199509.db2.gz ROTHJHDHURLRMA-CYBMUJFWSA-N 0 3 305.296 2.377 20 10 DECDHN O=C1NC[C@]2(CCCN(Cc3ccc(N4CCCC4)cc3)C2)O1 ZINC001204322417 800204793 /nfs/dbraw/zinc/20/47/93/800204793.db2.gz RFPZBXBESWSTSY-SFHVURJKSA-N 0 3 315.417 2.361 20 10 DECDHN C[NH+]1CCC2(CC[N@H+](Cc3cc(C(=O)[O-])ccc3[O-])C2)CC1 ZINC001231565198 801688334 /nfs/dbraw/zinc/68/83/34/801688334.db2.gz AOCFPRPEJZYEHM-UHFFFAOYSA-N 0 3 304.390 2.008 20 10 DECDHN C[NH+]1CCC2(CC[N@@H+](Cc3cc(C(=O)[O-])ccc3[O-])C2)CC1 ZINC001231565198 801688338 /nfs/dbraw/zinc/68/83/38/801688338.db2.gz AOCFPRPEJZYEHM-UHFFFAOYSA-N 0 3 304.390 2.008 20 10 DECDHN COC(=O)[C@H]1CN(Cc2ccc(N(C)C)cc2OC)CC12CC2 ZINC001231856053 801738226 /nfs/dbraw/zinc/73/82/26/801738226.db2.gz KKGFSOFNZAYFIX-OAHLLOKOSA-N 0 3 318.417 2.146 20 10 DECDHN COc1cc(Cl)cc(C[N@H+](C[C@@H](O)CO)C(C)(C)C)c1[O-] ZINC001233287937 802064909 /nfs/dbraw/zinc/06/49/09/802064909.db2.gz ODKVKJJMEPNBEO-GFCCVEGCSA-N 0 3 317.813 2.008 20 10 DECDHN COc1cc(Cl)cc(C[N@@H+](C[C@@H](O)CO)C(C)(C)C)c1[O-] ZINC001233287937 802064916 /nfs/dbraw/zinc/06/49/16/802064916.db2.gz ODKVKJJMEPNBEO-GFCCVEGCSA-N 0 3 317.813 2.008 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCOC[C@@](C)(O)C3)c2c1 ZINC001234525417 802402232 /nfs/dbraw/zinc/40/22/32/802402232.db2.gz GQAMEZLROZDBAR-SFHVURJKSA-N 0 3 317.385 2.137 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@H+]3CCOC[C@@](C)(O)C3)c2c1 ZINC001234525417 802402234 /nfs/dbraw/zinc/40/22/34/802402234.db2.gz GQAMEZLROZDBAR-SFHVURJKSA-N 0 3 317.385 2.137 20 10 DECDHN CC(C)CONC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001334218168 1150234221 /nfs/dbraw/zinc/23/42/21/1150234221.db2.gz SHNQDQWDNSJKNH-MRXNPFEDSA-N 0 3 322.453 2.242 20 10 DECDHN C[C@@H]1CC[C@@H]1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001335542807 1150447784 /nfs/dbraw/zinc/44/77/84/1150447784.db2.gz IMDSCOWWWVKALL-XOKHGSTOSA-N 0 3 318.465 2.453 20 10 DECDHN Cc1ccc(C[NH2+]CCN2C(=O)COc3ccccc32)c([O-])c1 ZINC001331713092 1149630133 /nfs/dbraw/zinc/63/01/33/1149630133.db2.gz UEOLKTZTHMEXNY-UHFFFAOYSA-N 0 3 312.369 2.216 20 10 DECDHN CCC[C@H](C)C(=O)NCC[NH2+]Cc1c(C)cc(OC)cc1[O-] ZINC001462260637 1058790367 /nfs/dbraw/zinc/79/03/67/1058790367.db2.gz CJLFXBRXZZCIHO-LBPRGKRZSA-N 0 3 308.422 2.351 20 10 DECDHN COc1cc(C)c(C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)c([O-])c1 ZINC001462527396 1058845016 /nfs/dbraw/zinc/84/50/16/1058845016.db2.gz KZFZUEBAFWIFKY-CQSZACIVSA-N 0 3 321.417 2.073 20 10 DECDHN COc1cc(C)c(C[N@H+]2C[C@H](O)CC3(CCOCC3)C2)c([O-])c1 ZINC001462527396 1058845036 /nfs/dbraw/zinc/84/50/36/1058845036.db2.gz KZFZUEBAFWIFKY-CQSZACIVSA-N 0 3 321.417 2.073 20 10 DECDHN COc1ccc(N2CC[C@@H](CNCc3nn(C)cc3C)C2)cc1 ZINC001474187312 1060831683 /nfs/dbraw/zinc/83/16/83/1060831683.db2.gz HXRRMOXIAFBHGV-HNNXBMFYSA-N 0 3 314.433 2.353 20 10 DECDHN CN(C)Cc1csc(C[NH2+]Cc2cc(F)c(F)cc2[O-])n1 ZINC001474711267 1060924105 /nfs/dbraw/zinc/92/41/05/1060924105.db2.gz PGYBEYDOSDAVRY-UHFFFAOYSA-N 0 3 313.373 2.478 20 10 DECDHN CN(C)Cc1csc(CNCc2cc(F)c(F)cc2O)n1 ZINC001474711267 1060924112 /nfs/dbraw/zinc/92/41/12/1060924112.db2.gz PGYBEYDOSDAVRY-UHFFFAOYSA-N 0 3 313.373 2.478 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)CCCCCO)N(C)C)cc1 ZINC001648477927 1074999548 /nfs/dbraw/zinc/99/95/48/1074999548.db2.gz KDAITXUGHLXHJJ-KRWDZBQOSA-N 0 3 321.465 2.024 20 10 DECDHN COc1cccc(CNCc2cccc(S(C)(=O)=O)c2)c1O ZINC001560811099 1075146096 /nfs/dbraw/zinc/14/60/96/1075146096.db2.gz YOFZEOYJGILCPZ-UHFFFAOYSA-N 0 3 321.398 2.094 20 10 DECDHN Cc1cc([O-])c(C[NH2+][C@H](C)[C@H]2CN(C)CCN2C)cc1Cl ZINC001660047243 1080260585 /nfs/dbraw/zinc/26/05/85/1080260585.db2.gz HMOWUXZTAPESSE-IUODEOHRSA-N 0 3 311.857 2.078 20 10 DECDHN CN(C)c1ccc(CN2CC[C@H]3C[C@]32C(N)=O)c2ccccc21 ZINC001277173630 1083829010 /nfs/dbraw/zinc/82/90/10/1083829010.db2.gz FCLCQBAZHALZDW-IFXJQAMLSA-N 0 3 309.413 2.356 20 10 DECDHN CCN(C(=O)[C@@]12C[C@@H]1C[N@H+](Cc1ccccc1[O-])C2)C(C)C ZINC001277441804 1083970381 /nfs/dbraw/zinc/97/03/81/1083970381.db2.gz PMFWXYAENQTVJX-CRAIPNDOSA-N 0 3 302.418 2.471 20 10 DECDHN CCN(C(=O)[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1[O-])C2)C(C)C ZINC001277441804 1083970388 /nfs/dbraw/zinc/97/03/88/1083970388.db2.gz PMFWXYAENQTVJX-CRAIPNDOSA-N 0 3 302.418 2.471 20 10 DECDHN O=C1OC2(CC[NH+](Cc3ccccc3[O-])CC2)c2cccnc21 ZINC001203558659 1084185806 /nfs/dbraw/zinc/18/58/06/1084185806.db2.gz SRXFSBYXZDOLMN-UHFFFAOYSA-N 0 3 310.353 2.449 20 10 DECDHN CCN1CCN(c2ccc(OCC(=O)OC(C)C)cc2)CC1 ZINC001234657142 1084188990 /nfs/dbraw/zinc/18/89/90/1084188990.db2.gz BGWXDGBKEXRWHB-UHFFFAOYSA-N 0 3 306.406 2.159 20 10 DECDHN Cc1ccc(CN2CC3(C2)CCN(C(=O)NC(C)C)C3)c(O)c1 ZINC001276169560 1091630440 /nfs/dbraw/zinc/63/04/40/1091630440.db2.gz RXNDWYJRZBZXLU-UHFFFAOYSA-N 0 3 317.433 2.326 20 10 DECDHN Oc1ccc(CN2CC3(C2)CCN(Cc2ccc[nH]2)C3)cc1O ZINC001275821076 1092178261 /nfs/dbraw/zinc/17/82/61/1092178261.db2.gz HPVLVGBSSIXSCG-UHFFFAOYSA-N 0 3 313.401 2.134 20 10 DECDHN CCc1ccc(C[NH+]2CCC(c3nncn3C)CC2)c([O-])c1 ZINC001236793549 1138429144 /nfs/dbraw/zinc/42/91/44/1138429144.db2.gz YOIREHLSUFQNNW-UHFFFAOYSA-N 0 3 300.406 2.463 20 10 DECDHN COc1cc(C)c(C[NH+]2CCC3(CC(=O)N(C)C3)CC2)c([O-])c1 ZINC001236816268 1138438146 /nfs/dbraw/zinc/43/81/46/1138438146.db2.gz RHGMRYDCFKZNQL-UHFFFAOYSA-N 0 3 318.417 2.154 20 10 DECDHN C[C@@H]1COCCN(Cc2ccc(N3CCN(C)CC3)cc2F)C1 ZINC001236930966 1138459634 /nfs/dbraw/zinc/45/96/34/1138459634.db2.gz HJDOGRWIPINZPN-HNNXBMFYSA-N 0 3 321.440 2.046 20 10 DECDHN C[C@H]1COCCN(Cc2ccc(N3CCN(C)CC3)cc2F)C1 ZINC001236930973 1138460162 /nfs/dbraw/zinc/46/01/62/1138460162.db2.gz HJDOGRWIPINZPN-OAHLLOKOSA-N 0 3 321.440 2.046 20 10 DECDHN CCOc1ccc(C[N@H+]2C[C@H](C(=O)OC)C[C@H](C)C2)c([O-])c1 ZINC001237041946 1138486310 /nfs/dbraw/zinc/48/63/10/1138486310.db2.gz AXRNNZKALDSVIG-GXTWGEPZSA-N 0 3 307.390 2.422 20 10 DECDHN CCOc1ccc(C[N@@H+]2C[C@H](C(=O)OC)C[C@H](C)C2)c([O-])c1 ZINC001237041946 1138486313 /nfs/dbraw/zinc/48/63/13/1138486313.db2.gz AXRNNZKALDSVIG-GXTWGEPZSA-N 0 3 307.390 2.422 20 10 DECDHN CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC(=O)N3C)C2)c([O-])c1 ZINC001237048799 1138490051 /nfs/dbraw/zinc/49/00/51/1138490051.db2.gz WMKPODFCIMGOHD-CZUORRHYSA-N 0 3 318.417 2.234 20 10 DECDHN CCOc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC(=O)N3C)C2)c([O-])c1 ZINC001237048799 1138490055 /nfs/dbraw/zinc/49/00/55/1138490055.db2.gz WMKPODFCIMGOHD-CZUORRHYSA-N 0 3 318.417 2.234 20 10 DECDHN C[C@@]1(O)CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237054035 1138491610 /nfs/dbraw/zinc/49/16/10/1138491610.db2.gz TZODMLCVBIEWKV-CYBMUJFWSA-N 0 3 305.296 2.290 20 10 DECDHN C[C@@]1(O)CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237054035 1138491611 /nfs/dbraw/zinc/49/16/11/1138491611.db2.gz TZODMLCVBIEWKV-CYBMUJFWSA-N 0 3 305.296 2.290 20 10 DECDHN Cc1cc(F)cc(C[NH+]2CCC(c3nncn3C)CC2)c1[O-] ZINC001238070716 1138820000 /nfs/dbraw/zinc/82/00/00/1138820000.db2.gz OHDHUSYZUWMNGP-UHFFFAOYSA-N 0 3 304.369 2.348 20 10 DECDHN CCCN(C)CC(=O)N1CCN(c2ccc(OCC)cc2)CC1 ZINC001319624562 1140627669 /nfs/dbraw/zinc/62/76/69/1140627669.db2.gz OYYVKWRGGUIZIX-UHFFFAOYSA-N 0 3 319.449 2.076 20 10 DECDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H]2C(C)(C)OC)c([O-])c1 ZINC001249201108 1141859219 /nfs/dbraw/zinc/85/92/19/1141859219.db2.gz GAQISEFPFYZLKH-INIZCTEOSA-N 0 3 321.417 2.497 20 10 DECDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@H]2C(C)(C)OC)c([O-])c1 ZINC001249201108 1141859223 /nfs/dbraw/zinc/85/92/23/1141859223.db2.gz GAQISEFPFYZLKH-INIZCTEOSA-N 0 3 321.417 2.497 20 10 DECDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](CO)CC1CCOCC1)CC2 ZINC001324600449 1142138294 /nfs/dbraw/zinc/13/82/94/1142138294.db2.gz BXCPIJKXNNVCKA-ZBFHGGJFSA-N 0 3 305.418 2.394 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)c2ccns2)N(C)C)cc1 ZINC001336115415 1142360457 /nfs/dbraw/zinc/36/04/57/1142360457.db2.gz ZQTNEOBGJRNLDZ-AWEZNQCLSA-N 0 3 318.446 2.242 20 10 DECDHN Nc1ccc(CNC(=O)N2CCN(C3CCCC3)CC2)cc1 ZINC001337026241 1142663201 /nfs/dbraw/zinc/66/32/01/1142663201.db2.gz VBRWREXSZPOKMP-UHFFFAOYSA-N 0 3 302.422 2.039 20 10 DECDHN CN(Cc1ccc(N2CCCC2)cc1)[C@H]1CCCCNC1=O ZINC001254005035 1143024080 /nfs/dbraw/zinc/02/40/80/1143024080.db2.gz RYTCXOXOFWGQES-KRWDZBQOSA-N 0 3 301.434 2.387 20 10 DECDHN C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)NCc1c([O-])cccc1F ZINC001339835048 1143125624 /nfs/dbraw/zinc/12/56/24/1143125624.db2.gz IXFVNHDVAGMGMO-UONOGXRCSA-N 0 3 309.385 2.203 20 10 DECDHN Cc1cc(CN2CCN(C)[C@@H](CO)C2)ccc1N1CCCCC1 ZINC001307986394 1147439918 /nfs/dbraw/zinc/43/99/18/1147439918.db2.gz GCAFKEDUSYFZTC-GOSISDBHSA-N 0 3 317.477 2.094 20 10 DECDHN CCNC(=O)C1(C[NH2+]Cc2c(C)cc(OC)cc2[O-])CCC1 ZINC001308729624 1147483878 /nfs/dbraw/zinc/48/38/78/1147483878.db2.gz IXDWKDOOKLHWDO-UHFFFAOYSA-N 0 3 306.406 2.105 20 10 DECDHN CC(C)N1CCCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000075961130 355116202 /nfs/dbraw/zinc/11/62/02/355116202.db2.gz IHLFECFHVQOHAM-UHFFFAOYSA-N 0 3 318.465 2.378 20 10 DECDHN CCC[C@H]1CN(Cc2cccc(OC)c2O)CCN1CCOC ZINC000091858610 193119064 /nfs/dbraw/zinc/11/90/64/193119064.db2.gz SCYDXCITJARDCQ-INIZCTEOSA-N 0 3 322.449 2.334 20 10 DECDHN C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1cc(F)ccc1[O-] ZINC000186022204 296156604 /nfs/dbraw/zinc/15/66/04/296156604.db2.gz BERGZWDABHIXQJ-LDYMZIIASA-N 0 3 320.286 2.345 20 10 DECDHN Cc1ccc([C@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)c([O-])c1C ZINC000273357015 130110416 /nfs/dbraw/zinc/11/04/16/130110416.db2.gz CXRCCIJQLLHGLA-ZDUSSCGKSA-N 0 3 311.447 2.484 20 10 DECDHN COCCOCCOCCC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000274647061 130252150 /nfs/dbraw/zinc/25/21/50/130252150.db2.gz KTCUJSOCGYCSKS-HNNXBMFYSA-N 0 3 311.422 2.421 20 10 DECDHN COCCOC1(C[NH2+][C@H](C)c2ccccc2[O-])CCOCC1 ZINC000296433168 131962955 /nfs/dbraw/zinc/96/29/55/131962955.db2.gz LZFNNWYHGLVTKX-CQSZACIVSA-N 0 3 309.406 2.255 20 10 DECDHN CNC(=O)c1ccc(CN(C)Cc2cccc(OC)c2O)cc1 ZINC000121171289 402018986 /nfs/dbraw/zinc/01/89/86/402018986.db2.gz MLLVOKBHPKTAFY-UHFFFAOYSA-N 0 3 314.385 2.392 20 10 DECDHN [O-]c1cc2c(cc1CN1CCC[C@H]([NH+]3CCCC3)C1)OCO2 ZINC000092047370 402000896 /nfs/dbraw/zinc/00/08/96/402000896.db2.gz XYVFDTVFRWTGQC-AWEZNQCLSA-N 0 3 304.390 2.181 20 10 DECDHN CCCN(Cc1ccccc1O)C(=O)NC1CCN(C)CC1 ZINC000066697417 402140083 /nfs/dbraw/zinc/14/00/83/402140083.db2.gz NPKXIBKJNDCYPB-UHFFFAOYSA-N 0 3 305.422 2.408 20 10 DECDHN COc1cccc(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c1[O-] ZINC000154833639 402235604 /nfs/dbraw/zinc/23/56/04/402235604.db2.gz VKWXMRDWDOQPCS-OAHLLOKOSA-N 0 3 318.417 2.139 20 10 DECDHN COc1cccc(C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c1[O-] ZINC000154833639 402235606 /nfs/dbraw/zinc/23/56/06/402235606.db2.gz VKWXMRDWDOQPCS-OAHLLOKOSA-N 0 3 318.417 2.139 20 10 DECDHN CC(C)[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)N(C)C ZINC000156354555 402280295 /nfs/dbraw/zinc/28/02/95/402280295.db2.gz XQGQJLWCJIKVCC-QGZVFWFLSA-N 0 3 304.434 2.473 20 10 DECDHN CNC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000184693225 402292123 /nfs/dbraw/zinc/29/21/23/402292123.db2.gz MXBGPJXFYQFCCQ-SNVBAGLBSA-N 0 3 312.797 2.012 20 10 DECDHN CNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000184693225 402292125 /nfs/dbraw/zinc/29/21/25/402292125.db2.gz MXBGPJXFYQFCCQ-SNVBAGLBSA-N 0 3 312.797 2.012 20 10 DECDHN CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000185345860 402346129 /nfs/dbraw/zinc/34/61/29/402346129.db2.gz ODZIPFYXBRSKAE-LSDHHAIUSA-N 0 3 323.456 2.456 20 10 DECDHN COc1ccc(N2CCC(NCc3cnn(C)c3C)CC2)cc1 ZINC000161730005 402397566 /nfs/dbraw/zinc/39/75/66/402397566.db2.gz UXHMVIDJXJKNIY-UHFFFAOYSA-N 0 3 314.433 2.496 20 10 DECDHN C[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cc(F)ccc1[O-] ZINC000186375870 402426177 /nfs/dbraw/zinc/42/61/77/402426177.db2.gz VPJHRKJFBJYHQK-YPMHNXCESA-N 0 3 311.353 2.104 20 10 DECDHN CCC[NH+]1CCC(N(C)C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000179446845 402590277 /nfs/dbraw/zinc/59/02/77/402590277.db2.gz BNUCOTOFBKORAK-UHFFFAOYSA-N 0 3 306.406 2.353 20 10 DECDHN COc1ccc([O-])c([C@H](C)[NH2+]CCC(=O)N2CCCCC2)c1 ZINC000182345489 402682422 /nfs/dbraw/zinc/68/24/22/402682422.db2.gz WIPKYFLUUGJZMC-ZDUSSCGKSA-N 0 3 306.406 2.454 20 10 DECDHN COc1c([O-])c(CNC[C@@H](C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000278568358 402868633 /nfs/dbraw/zinc/86/86/33/402868633.db2.gz CLHMNDZUCOANCM-GFCCVEGCSA-N 0 3 323.393 2.131 20 10 DECDHN COc1c([O-])c(C[NH2+]C[C@@H](C)CN2CCCC2)ccc1[N+](=O)[O-] ZINC000278568358 402868634 /nfs/dbraw/zinc/86/86/34/402868634.db2.gz CLHMNDZUCOANCM-GFCCVEGCSA-N 0 3 323.393 2.131 20 10 DECDHN C[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1cc2c(cc1[O-])CCCC2 ZINC000278847471 402877631 /nfs/dbraw/zinc/87/76/31/402877631.db2.gz QBXPZQBQGKZUNY-LXIYXOSZSA-N 0 3 305.418 2.462 20 10 DECDHN COC(=O)[C@@H]1CC12CC[NH+](Cc1cc(OC)ccc1[O-])CC2 ZINC000271890147 402885452 /nfs/dbraw/zinc/88/54/52/402885452.db2.gz WZFHRWRCMNPBTH-AWEZNQCLSA-N 0 3 305.374 2.176 20 10 DECDHN CCOc1ccc(O)c(CN(C)CCN2CCOC(C)(C)C2)c1 ZINC000279434091 402942741 /nfs/dbraw/zinc/94/27/41/402942741.db2.gz OJNUWHCCQNOVGS-UHFFFAOYSA-N 0 3 322.449 2.334 20 10 DECDHN CN(C)c1ccc(CN2CC[C@H](C(N)=O)C2)c(C(F)(F)F)c1 ZINC000279708450 402961186 /nfs/dbraw/zinc/96/11/86/402961186.db2.gz SQTRPQNICCLEHG-NSHDSACASA-N 0 3 315.339 2.079 20 10 DECDHN COC(=O)[C@]1(C)C[N@H+](Cc2cc(OC)c(OC)cc2[O-])C[C@H]1C ZINC000281994868 403111798 /nfs/dbraw/zinc/11/17/98/403111798.db2.gz TUUPGIBKJYESSC-PIGZYNQJSA-N 0 3 323.389 2.040 20 10 DECDHN COC(=O)[C@]1(C)C[N@@H+](Cc2cc(OC)c(OC)cc2[O-])C[C@H]1C ZINC000281994868 403111800 /nfs/dbraw/zinc/11/18/00/403111800.db2.gz TUUPGIBKJYESSC-PIGZYNQJSA-N 0 3 323.389 2.040 20 10 DECDHN CCN1CCN(c2ccc(CN[C@H](C)[C@@H](C)OC)cc2F)CC1 ZINC000268892162 403120608 /nfs/dbraw/zinc/12/06/08/403120608.db2.gz PCXUSFFWGLSHEU-HUUCEWRRSA-N 0 3 323.456 2.481 20 10 DECDHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c1 ZINC000282659628 403157846 /nfs/dbraw/zinc/15/78/46/403157846.db2.gz IOMUAPUNQSTFDH-RHSMWYFYSA-N 0 3 305.418 2.358 20 10 DECDHN CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000276455367 403176971 /nfs/dbraw/zinc/17/69/71/403176971.db2.gz NAGZUHIKVBEERP-UHFFFAOYSA-N 0 3 306.406 2.354 20 10 DECDHN COc1cccc(C[NH2+]C2(C(=O)N(C)C)CCCCC2)c1[O-] ZINC000295108871 403762336 /nfs/dbraw/zinc/76/23/36/403762336.db2.gz VXYFHFNFZSJJMK-UHFFFAOYSA-N 0 3 306.406 2.282 20 10 DECDHN COc1cccc(CNC2(C(=O)N(C)C)CCCCC2)c1O ZINC000295108871 403762337 /nfs/dbraw/zinc/76/23/37/403762337.db2.gz VXYFHFNFZSJJMK-UHFFFAOYSA-N 0 3 306.406 2.282 20 10 DECDHN CC1CCN(c2ccc(CNC(=O)C3(N)CCC3)cc2)CC1 ZINC000296074772 404082221 /nfs/dbraw/zinc/08/22/21/404082221.db2.gz QEDWWZJCZAJCKO-UHFFFAOYSA-N 0 3 301.434 2.421 20 10 DECDHN CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000296433176 404245573 /nfs/dbraw/zinc/24/55/73/404245573.db2.gz LZFRADXQRYXSOR-JSGCOSHPSA-N 0 3 314.451 2.069 20 10 DECDHN C[C@@H]1C[C@H](NCc2ccc(N3CCC(O)CC3)c(F)c2)[C@@H](C)O1 ZINC000296505816 404280011 /nfs/dbraw/zinc/28/00/11/404280011.db2.gz RFLFDJIAUTYSGL-XNJGSVPQSA-N 0 3 322.424 2.442 20 10 DECDHN COCCCN1CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000297668963 404585729 /nfs/dbraw/zinc/58/57/29/404585729.db2.gz KZGFCYSYXZNXDL-INIZCTEOSA-N 0 3 304.434 2.470 20 10 DECDHN Cc1cc([O-])c(C[NH2+][C@@]2(CO)COc3ccccc3C2)cc1C ZINC000527768442 406745039 /nfs/dbraw/zinc/74/50/39/406745039.db2.gz AJLHYJXOYJHCRH-IBGZPJMESA-N 0 3 313.397 2.465 20 10 DECDHN C[C@@H](NCC(=O)NCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000160543543 287015396 /nfs/dbraw/zinc/01/53/96/287015396.db2.gz AORQJJLXNZNEJF-SNVBAGLBSA-N 0 3 303.328 2.082 20 10 DECDHN [O-]c1ccc(F)cc1C[NH2+][C@H](CO)C[C@H](O)c1ccccc1 ZINC000272507826 275049639 /nfs/dbraw/zinc/04/96/39/275049639.db2.gz WORQQOZOULUHQM-RDJZCZTQSA-N 0 3 305.349 2.106 20 10 DECDHN C[C@H]1CCNC(=O)[C@@H]1NCc1ccc(N2CCCCC2)cc1 ZINC000193685261 278372346 /nfs/dbraw/zinc/37/23/46/278372346.db2.gz CWCKTGHDUZCBTM-WMLDXEAASA-N 0 3 301.434 2.291 20 10 DECDHN CC1(C)[C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)[C@H]2CCCO[C@H]21 ZINC000360035888 337084159 /nfs/dbraw/zinc/08/41/59/337084159.db2.gz LJQXUCPSDRSAHV-HFBAOOFYSA-N 0 3 305.374 2.414 20 10 DECDHN C[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCN(C2CC2)C1 ZINC000295746381 533792555 /nfs/dbraw/zinc/79/25/55/533792555.db2.gz UFVNVEFETLCXJE-LPZVBRGNSA-N 0 3 316.401 2.054 20 10 DECDHN CCCOc1ccc(C[N@@H+]2CC[C@@H](OCCOC)C2)c([O-])c1 ZINC000188826083 520350505 /nfs/dbraw/zinc/35/05/05/520350505.db2.gz HFYGNBDKAZILNP-MRXNPFEDSA-N 0 3 309.406 2.418 20 10 DECDHN CCCOc1ccc(C[N@H+]2CC[C@@H](OCCOC)C2)c([O-])c1 ZINC000188826083 520350513 /nfs/dbraw/zinc/35/05/13/520350513.db2.gz HFYGNBDKAZILNP-MRXNPFEDSA-N 0 3 309.406 2.418 20 10 DECDHN CCC[C@@](C)(N)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000366331143 520915133 /nfs/dbraw/zinc/91/51/33/520915133.db2.gz UJIHOIOCWABPHL-GOSISDBHSA-N 0 3 319.449 2.251 20 10 DECDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)CCC[NH3+] ZINC000236915913 521285512 /nfs/dbraw/zinc/28/55/12/521285512.db2.gz DDJWGWFDYNJLQP-UHFFFAOYSA-N 0 3 315.211 2.242 20 10 DECDHN COc1cc([O-])c(C[NH2+]C[C@](C)(O)c2cccs2)cc1OC ZINC000182383910 522780577 /nfs/dbraw/zinc/78/05/77/522780577.db2.gz UZTQBPVLQVJKHI-INIZCTEOSA-N 0 3 323.414 2.468 20 10 DECDHN COC(=O)C[C@@](C)(NCc1ccccc1O)c1ccncc1 ZINC000190020665 523311028 /nfs/dbraw/zinc/31/10/28/523311028.db2.gz MJMIISVUSKVLCB-QGZVFWFLSA-N 0 3 300.358 2.355 20 10 DECDHN C[C@@H](NCCOCCO)c1ccc(N2CCCCC2)c(F)c1 ZINC000159099770 525452081 /nfs/dbraw/zinc/45/20/81/525452081.db2.gz RSHWTTDINQDVEV-CQSZACIVSA-N 0 3 310.413 2.476 20 10 DECDHN Cc1ccc([C@@H](O)C[NH2+]Cc2cc3c(cc2[O-])OCO3)cc1 ZINC000237898580 525780305 /nfs/dbraw/zinc/78/03/05/525780305.db2.gz FVIPXPLECBZVAO-HNNXBMFYSA-N 0 3 301.342 2.253 20 10 DECDHN COc1cccc(C[NH2+][C@@H](CO)Cc2cccc(C)c2)c1[O-] ZINC000189010115 526031577 /nfs/dbraw/zinc/03/15/77/526031577.db2.gz RITOJCQSGZZEDK-MRXNPFEDSA-N 0 3 301.386 2.402 20 10 DECDHN OCCN(Cc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000158335763 527550250 /nfs/dbraw/zinc/55/02/50/527550250.db2.gz FAOAWPJJGZJNFS-UHFFFAOYSA-N 0 3 301.342 2.115 20 10 DECDHN CCO[C@@H]1C[C@@H](NCc2ccc3c(c2)CCO3)[C@]12CCCO2 ZINC000378582558 527837372 /nfs/dbraw/zinc/83/73/72/527837372.db2.gz XLBHMPHQQGKIOU-KZNAEPCWSA-N 0 3 303.402 2.438 20 10 DECDHN CC(C)N1C[C@H](NC/C=C/c2ccc(N(C)C)cc2)CC1=O ZINC000835039623 649870354 /nfs/dbraw/zinc/87/03/54/649870354.db2.gz HXIZABWGQFJSAW-SQRWCISFSA-N 0 3 301.434 2.365 20 10 DECDHN COc1ccc(CN[C@@H](CO)c2ccccc2)c(O)c1OC ZINC001355263458 1151996998 /nfs/dbraw/zinc/99/69/98/1151996998.db2.gz BEQYOXVINOFLHS-AWEZNQCLSA-N 0 3 303.358 2.233 20 10 DECDHN F[C@@H]1CC2(CC[C@H]1NCc1ccc3c(c1)CCO3)OCCO2 ZINC000892794836 625613822 /nfs/dbraw/zinc/61/38/22/625613822.db2.gz XGSMVJIEPSSVQP-HUUCEWRRSA-N 0 3 307.365 2.345 20 10 DECDHN CC(C)[C@H](F)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246779 623790595 /nfs/dbraw/zinc/79/05/95/623790595.db2.gz DJDKIKGQEXBPJC-HOTGVXAUSA-N 0 3 309.429 2.466 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CC2(F)F)N(C)C)cc1 ZINC000891249908 623794581 /nfs/dbraw/zinc/79/45/81/623794581.db2.gz UHYSMOZCDBOLTM-UONOGXRCSA-N 0 3 311.376 2.127 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)Cc2ccoc2)N(C)C)cc1 ZINC000891248811 623794653 /nfs/dbraw/zinc/79/46/53/623794653.db2.gz OFIJXJKYCLCZEJ-KRWDZBQOSA-N 0 3 315.417 2.307 20 10 DECDHN Cc1nc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)co1 ZINC000891249869 623794893 /nfs/dbraw/zinc/79/48/93/623794893.db2.gz XHOULGCGLUAEPK-INIZCTEOSA-N 0 3 316.405 2.082 20 10 DECDHN Cc1ocnc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254804 623801760 /nfs/dbraw/zinc/80/17/60/623801760.db2.gz JWGOHORLFZZLIE-OAHLLOKOSA-N 0 3 316.405 2.082 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)NCC2CC2)N(C)C)cc1 ZINC000891727684 624563118 /nfs/dbraw/zinc/56/31/18/624563118.db2.gz FADSDJWIYMKOGD-MRXNPFEDSA-N 0 3 304.438 2.065 20 10 DECDHN COc1ccc(O)c([C@@H](C)NCC(=O)N(C)CC(F)(F)F)c1 ZINC000182325361 625253852 /nfs/dbraw/zinc/25/38/52/625253852.db2.gz VUCXJMWAFUREIK-SECBINFHSA-N 0 3 320.311 2.072 20 10 DECDHN CS(=O)(=O)C1(CNCc2ccc3c(c2)CCCO3)CCC1 ZINC000922074921 635847779 /nfs/dbraw/zinc/84/77/79/635847779.db2.gz ANNNXJTXIYHCFU-UHFFFAOYSA-N 0 3 309.431 2.069 20 10 DECDHN c1ncn(-c2cc(CNCc3ccc4c(c3)CCCO4)ccn2)n1 ZINC000922302192 636073387 /nfs/dbraw/zinc/07/33/87/636073387.db2.gz MVISDLAVIWWGNS-UHFFFAOYSA-N 0 3 321.384 2.277 20 10 DECDHN CC(C)(C)OC(=O)N1CCOC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000924900589 636490195 /nfs/dbraw/zinc/49/01/95/636490195.db2.gz FACIQWIFJOOLFA-AWEZNQCLSA-N 0 3 322.405 2.118 20 10 DECDHN COC(=O)c1c(CN[C@H]2CO[C@@H](C)C2)c2cc(F)ccc2n1C ZINC000895083713 637527418 /nfs/dbraw/zinc/52/74/18/637527418.db2.gz LVBVUFCYCCWFFF-CMPLNLGQSA-N 0 3 320.364 2.371 20 10 DECDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)C(=O)NCc1ccco1 ZINC000840935767 650388865 /nfs/dbraw/zinc/38/88/65/650388865.db2.gz CTTLFPYWLISKCW-AWEZNQCLSA-N 0 3 315.417 2.449 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2C=CCC2)N(C)C)cc1 ZINC000895719442 638164649 /nfs/dbraw/zinc/16/46/49/638164649.db2.gz RXRSGVLGQAETRO-NVXWUHKLSA-N 0 3 316.449 2.373 20 10 DECDHN CCOc1ccc(C[N@@H+]2CC[C@@H](c3noc(C)n3)C2)c([O-])c1 ZINC000896241108 638431593 /nfs/dbraw/zinc/43/15/93/638431593.db2.gz VJQJQQZUVDLZJA-CYBMUJFWSA-N 0 3 303.362 2.472 20 10 DECDHN CCOc1ccc(C[N@H+]2CC[C@@H](c3noc(C)n3)C2)c([O-])c1 ZINC000896241108 638431595 /nfs/dbraw/zinc/43/15/95/638431595.db2.gz VJQJQQZUVDLZJA-CYBMUJFWSA-N 0 3 303.362 2.472 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]CC2CC3(C2)OCCO3)c1[O-] ZINC000896908962 639062187 /nfs/dbraw/zinc/06/21/87/639062187.db2.gz MNERXSDHQIDEKN-UHFFFAOYSA-N 0 3 313.781 2.297 20 10 DECDHN COC(=O)c1cnc(CC[NH2+]Cc2c(C)cccc2[O-])s1 ZINC000896929368 639084398 /nfs/dbraw/zinc/08/43/98/639084398.db2.gz CKWOEYLARJQTFN-UHFFFAOYSA-N 0 3 306.387 2.276 20 10 DECDHN C[C@@H]1C[C@@H](N[C@H](CO)c2cnn(C)c2)c2c1c(F)ccc2O ZINC000756775004 639693653 /nfs/dbraw/zinc/69/36/53/639693653.db2.gz GHRCTEGWCSTKDT-OASPWFOLSA-N 0 3 305.353 2.136 20 10 DECDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2OC)[C@@]12CCCO2 ZINC000759178137 640035508 /nfs/dbraw/zinc/03/55/08/640035508.db2.gz UPGXDDPAMIPOCT-ZACQAIPSSA-N 0 3 307.390 2.217 20 10 DECDHN CN1CCC[C@@H](NC(=O)NCCCSc2nccs2)C1 ZINC000759566455 640084900 /nfs/dbraw/zinc/08/49/00/640084900.db2.gz CNWACVMQHQRSGL-LLVKDONJSA-N 0 3 314.480 2.019 20 10 DECDHN Cc1cc(O)c(CN2CCN(Cc3cnn(C)c3)CC2)cc1C ZINC000729988162 640868038 /nfs/dbraw/zinc/86/80/38/640868038.db2.gz BPFJPYZRAXFXIT-UHFFFAOYSA-N 0 3 314.433 2.060 20 10 DECDHN COc1cccc(CN[C@H]2c3ccccc3OC[C@H]2CO)c1O ZINC000897950493 640984082 /nfs/dbraw/zinc/98/40/82/640984082.db2.gz HZRAHSQGBZOUIQ-CXAGYDPISA-N 0 3 315.369 2.233 20 10 DECDHN CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)C1(C)C ZINC000768444542 641082238 /nfs/dbraw/zinc/08/22/38/641082238.db2.gz AIZKMIJTQDGLNL-DJIMGWMZSA-N 0 3 321.417 2.453 20 10 DECDHN CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)C1(C)C ZINC000768444542 641082242 /nfs/dbraw/zinc/08/22/42/641082242.db2.gz AIZKMIJTQDGLNL-DJIMGWMZSA-N 0 3 321.417 2.453 20 10 DECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000769207243 641195436 /nfs/dbraw/zinc/19/54/36/641195436.db2.gz QKTLYXQHEAZKLE-AWEZNQCLSA-N 0 3 320.433 2.385 20 10 DECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000769207243 641195439 /nfs/dbraw/zinc/19/54/39/641195439.db2.gz QKTLYXQHEAZKLE-AWEZNQCLSA-N 0 3 320.433 2.385 20 10 DECDHN COc1cccc(O)c1CN1CCC[C@H](N2CCCCC2=O)C1 ZINC000769339403 641221580 /nfs/dbraw/zinc/22/15/80/641221580.db2.gz WZOAPOFQWNFLJJ-AWEZNQCLSA-N 0 3 318.417 2.378 20 10 DECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000769339403 641221587 /nfs/dbraw/zinc/22/15/87/641221587.db2.gz WZOAPOFQWNFLJJ-AWEZNQCLSA-N 0 3 318.417 2.378 20 10 DECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000769339403 641221593 /nfs/dbraw/zinc/22/15/93/641221593.db2.gz WZOAPOFQWNFLJJ-AWEZNQCLSA-N 0 3 318.417 2.378 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@H](F)C2)N(C)C)cc1 ZINC000899099118 641940293 /nfs/dbraw/zinc/94/02/93/641940293.db2.gz VQMLJHPHRLWGEF-HOCLYGCPSA-N 0 3 322.428 2.109 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)NCCCF)N(C)C)cc1 ZINC000899101192 641941874 /nfs/dbraw/zinc/94/18/74/641941874.db2.gz GEXJGPRUBAAXBB-HNNXBMFYSA-N 0 3 310.417 2.014 20 10 DECDHN CCN1CCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000774991146 641990920 /nfs/dbraw/zinc/99/09/20/641990920.db2.gz NNIBOLDPKHKCJJ-LBPRGKRZSA-N 0 3 323.393 2.131 20 10 DECDHN CC[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccccc1[O-] ZINC000775498153 642052757 /nfs/dbraw/zinc/05/27/57/642052757.db2.gz XXVTUXNQTQBIRW-ZDUSSCGKSA-N 0 3 314.451 2.151 20 10 DECDHN C[C@@H]1[C@@H](C)N(Cc2ccc(N3CCOCC3)c(F)c2)CCN1C ZINC000775986920 642120203 /nfs/dbraw/zinc/12/02/03/642120203.db2.gz SQWAGVFQJIKJCB-HUUCEWRRSA-N 0 3 321.440 2.187 20 10 DECDHN CC(C)NC(=S)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899723639 642149798 /nfs/dbraw/zinc/14/97/98/642149798.db2.gz CJHGYBUQGSEUOG-OAHLLOKOSA-N 0 3 308.495 2.228 20 10 DECDHN CC[C@H]([NH2+][C@@H]1CCOC[C@H]1OCCOC)c1ccccc1[O-] ZINC000776866669 642214340 /nfs/dbraw/zinc/21/43/40/642214340.db2.gz GKNAXSHHHUREIU-ZMSDIMECSA-N 0 3 309.406 2.253 20 10 DECDHN C[C@H](O)[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000780892577 642685364 /nfs/dbraw/zinc/68/53/64/642685364.db2.gz MBWHWBSUAMFPHE-GOEBONIOSA-N 0 3 322.424 2.255 20 10 DECDHN C[C@H](O)[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000780892578 642685786 /nfs/dbraw/zinc/68/57/86/642685786.db2.gz MBWHWBSUAMFPHE-HOCLYGCPSA-N 0 3 322.424 2.255 20 10 DECDHN COc1cccc([O-])c1C[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000781527155 642762909 /nfs/dbraw/zinc/76/29/09/642762909.db2.gz KXMOTHNBUGGFCE-UHFFFAOYSA-N 0 3 306.406 2.091 20 10 DECDHN C[C@@H]1C[C@H](NCc2cc(F)c(N3CCOCC3)c(F)c2)CO1 ZINC000842711144 650809179 /nfs/dbraw/zinc/80/91/79/650809179.db2.gz ZJGVPUDTXCJDDO-YPMHNXCESA-N 0 3 312.360 2.068 20 10 DECDHN COc1ccc(N2CC[C@@H](CN[C@@H](C)c3cn(C)nn3)C2)cc1 ZINC000903026659 643230290 /nfs/dbraw/zinc/23/02/90/643230290.db2.gz RDZCZLSGOHGFDD-KBPBESRZSA-N 0 3 315.421 2.001 20 10 DECDHN Cc1nonc1[C@H](C)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903448599 643354847 /nfs/dbraw/zinc/35/48/47/643354847.db2.gz QRSLQZSPQZTYCP-BLLLJJGKSA-N 0 3 317.437 2.398 20 10 DECDHN CC(=O)c1cc(F)cc(CN[C@@H]2CC[NH2+]C23CCCC3)c1[O-] ZINC000903485321 643364128 /nfs/dbraw/zinc/36/41/28/643364128.db2.gz MBHMPQSBUOZITH-OAHLLOKOSA-N 0 3 306.381 2.498 20 10 DECDHN [O-]c1c(Cl)cccc1CN[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903971325 643530983 /nfs/dbraw/zinc/53/09/83/643530983.db2.gz AEXAVHODCYUBKU-ZDUSSCGKSA-N 0 3 310.825 2.294 20 10 DECDHN CN(C)c1ccc(CN(C)CCN2CCOC(C)(C)C2)cc1F ZINC000789765376 643772205 /nfs/dbraw/zinc/77/22/05/643772205.db2.gz OGTDVJQHLNOXKN-UHFFFAOYSA-N 0 3 323.456 2.434 20 10 DECDHN COc1c([O-])c(CN2CCCC[C@H]2CC[NH3+])ccc1[N+](=O)[O-] ZINC000843123886 650900399 /nfs/dbraw/zinc/90/03/99/650900399.db2.gz RHCXDNJTNNFVQU-LBPRGKRZSA-N 0 3 309.366 2.012 20 10 DECDHN CC[C@H]([NH2+]CCCN(C)S(C)(=O)=O)c1ccc(C)cc1[O-] ZINC000794798488 644478146 /nfs/dbraw/zinc/47/81/46/644478146.db2.gz UZQGZYKQHIMBMB-AWEZNQCLSA-N 0 3 314.451 2.023 20 10 DECDHN Cc1cnn(C)c1CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000796275513 644710587 /nfs/dbraw/zinc/71/05/87/644710587.db2.gz AESVQYPGLIFSBV-HNNXBMFYSA-N 0 3 314.433 2.416 20 10 DECDHN COc1ccc(CNCc2cc(C(F)(F)F)n[nH]2)c(O)c1 ZINC000799734962 645215257 /nfs/dbraw/zinc/21/52/57/645215257.db2.gz HNMLQAUORGFBBV-UHFFFAOYSA-N 0 3 301.268 2.433 20 10 DECDHN C[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1cc(F)ccc1[O-] ZINC000806173047 645806224 /nfs/dbraw/zinc/80/62/24/645806224.db2.gz DPGGUTTUMZIHBI-MNOVXSKESA-N 0 3 301.383 2.007 20 10 DECDHN CCN(C)c1ccc(CN2CCN(C[C@@H](C)O)C[C@@H]2C)cc1 ZINC000815094434 646967188 /nfs/dbraw/zinc/96/71/88/646967188.db2.gz AUMXKCIHIXOOBB-JKSUJKDBSA-N 0 3 305.466 2.030 20 10 DECDHN C[C@@H]1CCC[N@H+](CCNC(=O)NCc2c([O-])cccc2F)C1 ZINC000914075603 647145973 /nfs/dbraw/zinc/14/59/73/647145973.db2.gz FJDYCVUVZQTYEM-GFCCVEGCSA-N 0 3 309.385 2.062 20 10 DECDHN C[C@@H]1CCC[N@@H+](CCNC(=O)NCc2c([O-])cccc2F)C1 ZINC000914075603 647145975 /nfs/dbraw/zinc/14/59/75/647145975.db2.gz FJDYCVUVZQTYEM-GFCCVEGCSA-N 0 3 309.385 2.062 20 10 DECDHN C[C@@H](CNC(=O)NCc1c([O-])cccc1F)C[NH+]1CCCCC1 ZINC000914277508 647244675 /nfs/dbraw/zinc/24/46/75/647244675.db2.gz HLPGDOHCXQHELT-ZDUSSCGKSA-N 0 3 323.412 2.453 20 10 DECDHN C[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(Br)c(F)cc1[O-] ZINC000817977661 647398835 /nfs/dbraw/zinc/39/88/35/647398835.db2.gz NNBMZCYHXSDSOW-HEXRFXHZSA-N 0 3 315.186 2.162 20 10 DECDHN CN1C(=O)CC[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1=O ZINC000818233993 647437885 /nfs/dbraw/zinc/43/78/85/647437885.db2.gz RWPBZLRNXCYNNA-MRXNPFEDSA-N 0 3 324.380 2.296 20 10 DECDHN C[C@@H]1C[C@@H]([NH2+]CCCCS(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000818348915 647457191 /nfs/dbraw/zinc/45/71/91/647457191.db2.gz BCBWATKSDCVXGK-ZYHUDNBSSA-N 0 3 315.410 2.494 20 10 DECDHN [O-]c1cc(Br)ccc1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000824824289 648658501 /nfs/dbraw/zinc/65/85/01/648658501.db2.gz JCBTVKJCWHWODO-GXFFZTMASA-N 0 3 311.223 2.339 20 10 DECDHN CNC(=O)C[C@@H](C)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000825068465 648696796 /nfs/dbraw/zinc/69/67/96/648696796.db2.gz PZJTXQJJEOHFPK-SECBINFHSA-N 0 3 315.211 2.077 20 10 DECDHN CCN(CC)c1ccc(CN2CCN(CCO)C[C@H]2C)cc1 ZINC000825337642 648745203 /nfs/dbraw/zinc/74/52/03/648745203.db2.gz HSBMVLZZKWQZPU-MRXNPFEDSA-N 0 3 305.466 2.031 20 10 DECDHN COc1ccc(CNCc2c(C(F)(F)F)cnn2C)c(O)c1 ZINC000825752560 648808974 /nfs/dbraw/zinc/80/89/74/648808974.db2.gz DYLAYOYKPKOJMC-UHFFFAOYSA-N 0 3 315.295 2.443 20 10 DECDHN Cc1cc(N(C)C)ccc1CN1CCN(c2nccn2C)CC1 ZINC000827885372 649099305 /nfs/dbraw/zinc/09/93/05/649099305.db2.gz ZBWXYRBFQZKFKB-UHFFFAOYSA-N 0 3 313.449 2.117 20 10 DECDHN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3c(c2)CNC3)c1 ZINC000828667853 649207913 /nfs/dbraw/zinc/20/79/13/649207913.db2.gz VDHNHUSWQOKNAU-LLVKDONJSA-N 0 3 312.369 2.495 20 10 DECDHN CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000834668391 649828434 /nfs/dbraw/zinc/82/84/34/649828434.db2.gz LHIQLXHZGSBDJG-MJBXVCDLSA-N 0 3 309.431 2.325 20 10 DECDHN COCCCn1nccc1CN[C@H](C)c1cc(OC)ccc1O ZINC000845972697 651298766 /nfs/dbraw/zinc/29/87/66/651298766.db2.gz SSSXJAQBZFQHFL-CYBMUJFWSA-N 0 3 319.405 2.485 20 10 DECDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCCc2c1ccc(=O)n2C ZINC000846108113 651307985 /nfs/dbraw/zinc/30/79/85/651307985.db2.gz NWGPCRSPIDEKJX-CQSZACIVSA-N 0 3 314.385 2.267 20 10 DECDHN CC[C@@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1ccc(C)cc1[O-] ZINC000848562523 651471008 /nfs/dbraw/zinc/47/10/08/651471008.db2.gz FAZSVEGFQLWEQS-GXTWGEPZSA-N 0 3 300.406 2.427 20 10 DECDHN O=C1N(CC[NH2+][C@H]2CCc3cccc([O-])c32)C[C@@H]2CCCCN12 ZINC000850560369 651953765 /nfs/dbraw/zinc/95/37/65/651953765.db2.gz DPOFWDPIJZGCTM-GJZGRUSLSA-N 0 3 315.417 2.259 20 10 DECDHN Nc1ccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)cc1 ZINC000851633629 652193395 /nfs/dbraw/zinc/19/33/95/652193395.db2.gz OXZVURAIVBXHFZ-RYUDHWBXSA-N 0 3 318.295 2.191 20 10 DECDHN COC[C@H](C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)OC ZINC000851841856 652256414 /nfs/dbraw/zinc/25/64/14/652256414.db2.gz YNHYPHVZYFHDOE-HOTGVXAUSA-N 0 3 309.406 2.035 20 10 DECDHN COC[C@H](C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)OC ZINC000851841856 652256416 /nfs/dbraw/zinc/25/64/16/652256416.db2.gz YNHYPHVZYFHDOE-HOTGVXAUSA-N 0 3 309.406 2.035 20 10 DECDHN CNC(=O)[C@H]1CCC[C@@H]1NCc1cc(F)c(N(C)C)cc1F ZINC000858154716 652268190 /nfs/dbraw/zinc/26/81/90/652268190.db2.gz PMAXJWMXRPXNFO-FZMZJTMJSA-N 0 3 311.376 2.035 20 10 DECDHN COc1cc(Br)cc(C[NH2+]CCCCCO)c1[O-] ZINC000076276069 683941906 /nfs/dbraw/zinc/94/19/06/683941906.db2.gz QXVJOXTWIHFWLI-UHFFFAOYSA-N 0 3 318.211 2.416 20 10 DECDHN CCOc1ccc(O)c(CN2CCC[C@H](N3CCCC3=O)C2)c1 ZINC000093278710 684048738 /nfs/dbraw/zinc/04/87/38/684048738.db2.gz MGHKDXIGFBEMET-HNNXBMFYSA-N 0 3 318.417 2.378 20 10 DECDHN [O-]c1ccc(Cl)cc1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000093817634 684051695 /nfs/dbraw/zinc/05/16/95/684051695.db2.gz YVMYPTDQAYTDQQ-CYBMUJFWSA-N 0 3 310.825 2.200 20 10 DECDHN CCOC(=O)/C=C\CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000929185650 693912921 /nfs/dbraw/zinc/91/29/21/693912921.db2.gz QNOKZCRLJPODAO-PLNGDYQASA-N 0 3 318.417 2.074 20 10 DECDHN COc1ccc(O)c(CN[C@](C)(CO)c2cccc(O)c2)c1 ZINC000862433597 686302112 /nfs/dbraw/zinc/30/21/12/686302112.db2.gz YPOCWLWURORLEM-QGZVFWFLSA-N 0 3 303.358 2.104 20 10 DECDHN CCO[C@H]1C[C@@](N)(C(=O)N[C@H](C)c2ccccc2O)C1(C)C ZINC000870988720 688704629 /nfs/dbraw/zinc/70/46/29/688704629.db2.gz XUJGFGZDDDFKJU-HYSWKAIVSA-N 0 3 306.406 2.102 20 10 DECDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874825551 689500532 /nfs/dbraw/zinc/50/05/32/689500532.db2.gz PZVJXPLQDXNALI-KBPBESRZSA-N 0 3 315.377 2.158 20 10 DECDHN C[NH+](C)CCOC1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876721484 689914409 /nfs/dbraw/zinc/91/44/09/689914409.db2.gz PPNCNXOUGXYTBP-UHFFFAOYSA-N 0 3 314.376 2.213 20 10 DECDHN Cc1cc(N2CCC([NH2+]Cc3ccc(C)cc3[O-])CC2)n[nH]1 ZINC000877465133 690121614 /nfs/dbraw/zinc/12/16/14/690121614.db2.gz UTHNKEBELVVDMS-UHFFFAOYSA-N 0 3 300.406 2.491 20 10 DECDHN Cc1ccc(C[NH2+]CCn2cc(Br)cn2)c([O-])c1 ZINC000877518213 690138339 /nfs/dbraw/zinc/13/83/39/690138339.db2.gz HFTLMPMCGWYQSZ-UHFFFAOYSA-N 0 3 310.195 2.449 20 10 DECDHN CCOc1ccc(O)c(CN2CCCC[C@H]2CNC(C)=O)c1 ZINC000877675795 690186857 /nfs/dbraw/zinc/18/68/57/690186857.db2.gz UMGRQVXPUUFPCX-HNNXBMFYSA-N 0 3 306.406 2.282 20 10 DECDHN CC(=O)c1cc(F)cc(CN2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1[O-] ZINC000879571550 690675729 /nfs/dbraw/zinc/67/57/29/690675729.db2.gz BQXPXDKDCDNYGR-LRDDRELGSA-N 0 3 306.381 2.260 20 10 DECDHN CC(=O)c1cc(F)cc(CN2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1[O-] ZINC000879571550 690675732 /nfs/dbraw/zinc/67/57/32/690675732.db2.gz BQXPXDKDCDNYGR-LRDDRELGSA-N 0 3 306.381 2.260 20 10 DECDHN CCN(CC(F)(F)F)C(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649703 690699274 /nfs/dbraw/zinc/69/92/74/690699274.db2.gz CKNLTUQIWWJAGB-SNVBAGLBSA-N 0 3 304.312 2.454 20 10 DECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1 ZINC000886333389 692059073 /nfs/dbraw/zinc/05/90/73/692059073.db2.gz HXFLDUABJXCNLP-IIYDPXPESA-N 0 3 307.390 2.217 20 10 DECDHN C[C@H]([NH2+]CC(C)(C)N1CCN(C)CC1)c1c([O-])cccc1F ZINC000886500208 692094675 /nfs/dbraw/zinc/09/46/75/692094675.db2.gz KWOPMQKZPYIIIL-ZDUSSCGKSA-N 0 3 309.429 2.208 20 10 DECDHN C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@H](O)CO ZINC001332697776 1149881304 /nfs/dbraw/zinc/88/13/04/1149881304.db2.gz MAVHSIXQJOOJQD-YOEHRIQHSA-N 0 3 301.386 2.309 20 10 DECDHN C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@H](O)CO ZINC001332697776 1149881309 /nfs/dbraw/zinc/88/13/09/1149881309.db2.gz MAVHSIXQJOOJQD-YOEHRIQHSA-N 0 3 301.386 2.309 20 10 DECDHN COC[C@@H](CC[NH2+]Cc1cc(Cl)cc(OC)c1[O-])OC ZINC000694372639 777809831 /nfs/dbraw/zinc/80/98/31/777809831.db2.gz HZYNTBJWHNQMBF-GFCCVEGCSA-N 0 3 303.786 2.195 20 10 DECDHN Cc1cc(N(C)S(=O)(=O)CCc2ccc(N)cc2)cc(C)n1 ZINC001176056527 794350122 /nfs/dbraw/zinc/35/01/22/794350122.db2.gz YMZBIYKTULBJJT-UHFFFAOYSA-N 0 3 319.430 2.289 20 10 DECDHN COCCn1cc(CNCc2ccc(N3CCCC3)cc2)cn1 ZINC001116914407 794998501 /nfs/dbraw/zinc/99/85/01/794998501.db2.gz SPCGZWMOGYIRLJ-UHFFFAOYSA-N 0 3 314.433 2.420 20 10 DECDHN C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(N)cc1 ZINC001120262844 795431875 /nfs/dbraw/zinc/43/18/75/795431875.db2.gz FPPGOMXLBCTGBI-GFCCVEGCSA-N 0 3 319.430 2.109 20 10 DECDHN CN(C)CCN(Cc1ccco1)C(=O)NCc1ccc(N)cc1 ZINC001120592378 795493812 /nfs/dbraw/zinc/49/38/12/795493812.db2.gz WGMKHFOTYRCDBH-UHFFFAOYSA-N 0 3 316.405 2.135 20 10 DECDHN Cc1cc(CN2CC[C@H](CO)[C@H](O)C2)c(C)n1-c1ccccc1 ZINC001137854109 796146571 /nfs/dbraw/zinc/14/65/71/796146571.db2.gz INZPFXVXIMGYJY-VQIMIIECSA-N 0 3 314.429 2.269 20 10 DECDHN C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccncc1[O-] ZINC001140278179 796500078 /nfs/dbraw/zinc/50/00/78/796500078.db2.gz OATWVYATMBOYEA-UHFFFAOYSA-N 0 3 313.401 2.256 20 10 DECDHN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccncc1[O-] ZINC001140278179 796500080 /nfs/dbraw/zinc/50/00/80/796500080.db2.gz OATWVYATMBOYEA-UHFFFAOYSA-N 0 3 313.401 2.256 20 10 DECDHN COC[C@H]1CCCN1Cc1ccc(N2CCOCC2)cc1F ZINC001140660078 796551187 /nfs/dbraw/zinc/55/11/87/796551187.db2.gz FCOAAAHMCCFXFE-MRXNPFEDSA-N 0 3 308.397 2.273 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](c3nc(C)no3)C2)c(OC)c1 ZINC001141029662 796621733 /nfs/dbraw/zinc/62/17/33/796621733.db2.gz YUBLCUGVACFZRP-NSHDSACASA-N 0 3 319.361 2.090 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CC[C@H](c3nc(C)no3)C2)c(OC)c1 ZINC001141029662 796621736 /nfs/dbraw/zinc/62/17/36/796621736.db2.gz YUBLCUGVACFZRP-NSHDSACASA-N 0 3 319.361 2.090 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)c(OC)c1 ZINC001141032554 796621935 /nfs/dbraw/zinc/62/19/35/796621935.db2.gz GKKCNGNCDWSHRH-WCQYABFASA-N 0 3 305.374 2.210 20 10 DECDHN COc1cc([O-])c(C[N@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)c(OC)c1 ZINC001141032554 796621936 /nfs/dbraw/zinc/62/19/36/796621936.db2.gz GKKCNGNCDWSHRH-WCQYABFASA-N 0 3 305.374 2.210 20 10 DECDHN COC(=O)[C@@H]1CCC[N@H+](Cc2c([O-])cc(OC)cc2OC)CC1 ZINC001141032695 796622633 /nfs/dbraw/zinc/62/26/33/796622633.db2.gz MXQAVBKHAIOFMB-GFCCVEGCSA-N 0 3 323.389 2.185 20 10 DECDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])cc(OC)cc2OC)CC1 ZINC001141032695 796622634 /nfs/dbraw/zinc/62/26/34/796622634.db2.gz MXQAVBKHAIOFMB-GFCCVEGCSA-N 0 3 323.389 2.185 20 10 DECDHN COC(=O)[C@@H]1CCCN(Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141032695 796622635 /nfs/dbraw/zinc/62/26/35/796622635.db2.gz MXQAVBKHAIOFMB-GFCCVEGCSA-N 0 3 323.389 2.185 20 10 DECDHN Cc1ccc(O[C@H]2CCN(Cc3cc(O)ccc3O)C2)nc1 ZINC001141162948 796643404 /nfs/dbraw/zinc/64/34/04/796643404.db2.gz MAQYHORVKFVGMZ-HNNXBMFYSA-N 0 3 300.358 2.455 20 10 DECDHN Cc1nc(N(C)C)cc(N2CCCc3cc(O)c(O)cc3C2)n1 ZINC001155932633 797883602 /nfs/dbraw/zinc/88/36/02/797883602.db2.gz ANHWTYRITFDYAL-UHFFFAOYSA-N 0 3 314.389 2.215 20 10 DECDHN CCN(CC)C(=O)[C@@H]1CCCN(Cc2ccc(O)c(O)c2)C1 ZINC001203874399 798173355 /nfs/dbraw/zinc/17/33/55/798173355.db2.gz WBTJOEAGWDXGHN-CQSZACIVSA-N 0 3 306.406 2.178 20 10 DECDHN COc1cccc(CN2CCC(Oc3ncccn3)CC2)c1O ZINC001203595562 800087227 /nfs/dbraw/zinc/08/72/27/800087227.db2.gz ILGXQZHNPUWPHT-UHFFFAOYSA-N 0 3 315.373 2.234 20 10 DECDHN COc1ccc(C[N@@H+]2CCC[C@@H](c3noc(C)n3)C2)c([O-])c1 ZINC001203621560 800091306 /nfs/dbraw/zinc/09/13/06/800091306.db2.gz XGTVPECRYXTCGE-CYBMUJFWSA-N 0 3 303.362 2.472 20 10 DECDHN COc1ccc(C[N@H+]2CCC[C@@H](c3noc(C)n3)C2)c([O-])c1 ZINC001203621560 800091315 /nfs/dbraw/zinc/09/13/15/800091315.db2.gz XGTVPECRYXTCGE-CYBMUJFWSA-N 0 3 303.362 2.472 20 10 DECDHN COC(=O)[C@H]1CC12CC[NH+](Cc1c(C)cc(OC)cc1[O-])CC2 ZINC001204298472 800202259 /nfs/dbraw/zinc/20/22/59/800202259.db2.gz GRGDPMNPAPMQJB-OAHLLOKOSA-N 0 3 319.401 2.484 20 10 DECDHN CC(C)OCCN1CCN(Cc2cc(F)c(F)cc2O)CC1 ZINC001204690334 800246976 /nfs/dbraw/zinc/24/69/76/800246976.db2.gz OZEUTDKEMCHIIO-UHFFFAOYSA-N 0 3 314.376 2.213 20 10 DECDHN [NH3+]C[C@H]1CN(Cc2cc(Cl)c([O-])cc2O)CCC1(F)F ZINC001205779062 800419266 /nfs/dbraw/zinc/41/92/66/800419266.db2.gz JAORHRZIHZYNGK-VIFPVBQESA-N 0 3 306.740 2.167 20 10 DECDHN Cc1cc(Br)cc(CN2CCN3CC[C@@H]3C2)c1O ZINC001233111678 802027224 /nfs/dbraw/zinc/02/72/24/802027224.db2.gz SVOFQIGGHQKXIT-CYBMUJFWSA-N 0 3 311.223 2.353 20 10 DECDHN COCCN1CCN(Cc2cc(C(C)(C)C)ccc2O)CC1 ZINC001233284331 802063994 /nfs/dbraw/zinc/06/39/94/802063994.db2.gz QPVPRCCMYOMAKM-UHFFFAOYSA-N 0 3 306.450 2.454 20 10 DECDHN C[C@H]([NH2+]CCc1nnc2ccccn21)c1cc(F)ccc1[O-] ZINC000316866711 802527152 /nfs/dbraw/zinc/52/71/52/802527152.db2.gz YLPPLSIXPCNHGV-NSHDSACASA-N 0 3 300.337 2.467 20 10 DECDHN CCOC1CC(O)(CNCc2cc(F)c(N(C)C)cc2F)C1 ZINC001331510013 1149493468 /nfs/dbraw/zinc/49/34/68/1149493468.db2.gz BEHYZEYHQFFTRA-UHFFFAOYSA-N 0 3 314.376 2.050 20 10 DECDHN CC(C)c1ccc(O)c(CN2CCN(CC(C)(C)O)CC2)c1 ZINC001621116488 1078169831 /nfs/dbraw/zinc/16/98/31/1078169831.db2.gz DIGIRGHAOTVNGR-UHFFFAOYSA-N 0 3 306.450 2.404 20 10 DECDHN CCCN(Cc1cc(C(C)C)ccc1O)[C@H]1CC(=O)N(C)C1=O ZINC001621278980 1078172366 /nfs/dbraw/zinc/17/23/66/1078172366.db2.gz IRQGZQNJJHXAAH-HNNXBMFYSA-N 0 3 318.417 2.485 20 10 DECDHN COc1c([O-])c(CNC[C@@H]2CCC(C)(C)C[NH2+]2)ccc1[N+](=O)[O-] ZINC001579136772 1067239726 /nfs/dbraw/zinc/23/97/26/1067239726.db2.gz RYAZBNYIKZKMCY-LBPRGKRZSA-N 0 3 323.393 2.177 20 10 DECDHN CCCCN1CC[C@]2(CCCN2Cc2cc(O)ccc2O)C1=O ZINC001272385874 1078845154 /nfs/dbraw/zinc/84/51/54/1078845154.db2.gz GPLVYXPRRBKYQV-GOSISDBHSA-N 0 3 318.417 2.465 20 10 DECDHN COc1ccc(C[N@@H+]2CCC[C@]3(CCN(C)C3=O)CC2)c([O-])c1 ZINC001272625239 1079019903 /nfs/dbraw/zinc/01/99/03/1079019903.db2.gz JAGDQEHWDUVFCQ-SFHVURJKSA-N 0 3 318.417 2.235 20 10 DECDHN COc1ccc(C[N@H+]2CCC[C@]3(CCN(C)C3=O)CC2)c([O-])c1 ZINC001272625239 1079019911 /nfs/dbraw/zinc/01/99/11/1079019911.db2.gz JAGDQEHWDUVFCQ-SFHVURJKSA-N 0 3 318.417 2.235 20 10 DECDHN [O-]c1cccc(Br)c1CN[C@@H]1C[NH2+]CCC1(F)F ZINC001580887982 1076013782 /nfs/dbraw/zinc/01/37/82/1076013782.db2.gz BXXWTWLBIZRSOA-LLVKDONJSA-N 0 3 321.165 2.242 20 10 DECDHN CCOC(=O)[C@H]1CCC[N@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001663524992 1080765996 /nfs/dbraw/zinc/76/59/96/1080765996.db2.gz BKFYKPIXPSAUIR-ZDUSSCGKSA-N 0 3 307.390 2.484 20 10 DECDHN CCOC(=O)[C@H]1CCC[N@@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001663524992 1080766004 /nfs/dbraw/zinc/76/60/04/1080766004.db2.gz BKFYKPIXPSAUIR-ZDUSSCGKSA-N 0 3 307.390 2.484 20 10 DECDHN O=C(c1cccc(O)c1[O-])N1CC[C@H]2[C@@H]1CC[N@@H+]2C1CCCC1 ZINC001269607680 1081306340 /nfs/dbraw/zinc/30/63/40/1081306340.db2.gz GDTPWIPGPQAFIK-GJZGRUSLSA-N 0 3 316.401 2.329 20 10 DECDHN O=C(c1cccc(O)c1[O-])N1CC[C@H]2[C@@H]1CC[N@H+]2C1CCCC1 ZINC001269607680 1081306343 /nfs/dbraw/zinc/30/63/43/1081306343.db2.gz GDTPWIPGPQAFIK-GJZGRUSLSA-N 0 3 316.401 2.329 20 10 DECDHN COc1ccc(N2CC[C@H]3CN(Cc4cn[nH]c4)C[C@H]32)cc1F ZINC001277009932 1083731624 /nfs/dbraw/zinc/73/16/24/1083731624.db2.gz OZFKHCZKMVEFJK-XJKSGUPXSA-N 0 3 316.380 2.268 20 10 DECDHN C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2Cc1cccc(Cl)c1[O-] ZINC001276379873 1083741831 /nfs/dbraw/zinc/74/18/31/1083741831.db2.gz ABLJXBRPDPFSBB-GASCZTMLSA-N 0 3 323.868 2.256 20 10 DECDHN COc1ccc(C[NH+]2CCC3(CC[C@H](C(N)=O)C3)CC2)c([O-])c1 ZINC001277453568 1083978772 /nfs/dbraw/zinc/97/87/72/1083978772.db2.gz BHSICUBYEOQMNP-ZDUSSCGKSA-N 0 3 318.417 2.268 20 10 DECDHN O=C([O-])c1ccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c([O-])c1 ZINC001235243099 1084356233 /nfs/dbraw/zinc/35/62/33/1084356233.db2.gz VYJYRNZFDMJFSH-INIZCTEOSA-N 0 3 318.417 2.445 20 10 DECDHN CN1CC2(CCC1=O)CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001273286123 1090709935 /nfs/dbraw/zinc/70/99/35/1090709935.db2.gz ZLQMNHTZRPAMMX-UHFFFAOYSA-N 0 3 306.381 2.366 20 10 DECDHN CCc1ccc(C[N@@H+]2CCc3ncnc(OC)c3CC2)c([O-])c1 ZINC001236788480 1138428490 /nfs/dbraw/zinc/42/84/90/1138428490.db2.gz UUSIWJATSPIMKL-UHFFFAOYSA-N 0 3 313.401 2.354 20 10 DECDHN CCc1ccc(C[N@H+]2CCc3ncnc(OC)c3CC2)c([O-])c1 ZINC001236788480 1138428498 /nfs/dbraw/zinc/42/84/98/1138428498.db2.gz UUSIWJATSPIMKL-UHFFFAOYSA-N 0 3 313.401 2.354 20 10 DECDHN COC(=O)[C@H]1CCC[N@H+](Cc2c(C)cc(OC)cc2[O-])[C@@H]1C ZINC001236810392 1138435351 /nfs/dbraw/zinc/43/53/51/1138435351.db2.gz FMKLKEJTRHAPAT-OCCSQVGLSA-N 0 3 307.390 2.483 20 10 DECDHN COC(=O)[C@H]1CCC[N@@H+](Cc2c(C)cc(OC)cc2[O-])[C@@H]1C ZINC001236810392 1138435353 /nfs/dbraw/zinc/43/53/53/1138435353.db2.gz FMKLKEJTRHAPAT-OCCSQVGLSA-N 0 3 307.390 2.483 20 10 DECDHN COc1cc(C)c(CN2CCN(C[C@H]3CCCO3)CC2)c(O)c1 ZINC001236815016 1138438185 /nfs/dbraw/zinc/43/81/85/1138438185.db2.gz ZUMCJAPBKGONSU-OAHLLOKOSA-N 0 3 320.433 2.006 20 10 DECDHN CCOc1ccc(C[NH+]2CCC(NC(=O)N(C)C)CC2)c([O-])c1 ZINC001237046916 1138488185 /nfs/dbraw/zinc/48/81/85/1138488185.db2.gz HXAZBUSFGLCKQD-UHFFFAOYSA-N 0 3 321.421 2.027 20 10 DECDHN CCOc1ccc(C[N@@H+]2C[C@H](C(=O)OC)C3(CC3)C2)c([O-])c1 ZINC001237048671 1138489287 /nfs/dbraw/zinc/48/92/87/1138489287.db2.gz VKDPZQDDOHETIP-CQSZACIVSA-N 0 3 305.374 2.176 20 10 DECDHN CCOc1ccc(C[N@H+]2C[C@H](C(=O)OC)C3(CC3)C2)c([O-])c1 ZINC001237048671 1138489293 /nfs/dbraw/zinc/48/92/93/1138489293.db2.gz VKDPZQDDOHETIP-CQSZACIVSA-N 0 3 305.374 2.176 20 10 DECDHN COC(=O)Cc1ccc(C[NH+]2CCC3(CCOC3)CC2)c([O-])c1 ZINC001249172054 1141856536 /nfs/dbraw/zinc/85/65/36/1141856536.db2.gz IMAHMSNRVFRURN-UHFFFAOYSA-N 0 3 319.401 2.110 20 10 DECDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)c([O-])c1 ZINC001249178805 1141857260 /nfs/dbraw/zinc/85/72/60/1141857260.db2.gz VXUMLBHJOFMMQZ-YOEHRIQHSA-N 0 3 319.401 2.109 20 10 DECDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)c([O-])c1 ZINC001249178805 1141857262 /nfs/dbraw/zinc/85/72/62/1141857262.db2.gz VXUMLBHJOFMMQZ-YOEHRIQHSA-N 0 3 319.401 2.109 20 10 DECDHN COCC[C@H]1CCCC[N@@H+]1Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249201543 1141858918 /nfs/dbraw/zinc/85/89/18/1141858918.db2.gz WYGTTWAWRMWDBO-MRXNPFEDSA-N 0 3 321.417 2.499 20 10 DECDHN COCC[C@H]1CCCC[N@H+]1Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249201543 1141858919 /nfs/dbraw/zinc/85/89/19/1141858919.db2.gz WYGTTWAWRMWDBO-MRXNPFEDSA-N 0 3 321.417 2.499 20 10 DECDHN COc1ncccc1-c1noc(C[C@@H]([NH3+])c2ccccc2[O-])n1 ZINC001249340174 1141876751 /nfs/dbraw/zinc/87/67/51/1141876751.db2.gz WKBZPZRDGJXROC-GFCCVEGCSA-N 0 3 312.329 2.088 20 10 DECDHN C[C@@H](NCC1(CO)COC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090643207 185308039 /nfs/dbraw/zinc/30/80/39/185308039.db2.gz RPFLAGPLELLCCP-CQSZACIVSA-N 0 3 322.424 2.476 20 10 DECDHN COc1cccc(CN2CC[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000092455428 185319571 /nfs/dbraw/zinc/31/95/71/185319571.db2.gz WOMQPGSYZAIHNQ-ZDUSSCGKSA-N 0 3 322.405 2.500 20 10 DECDHN CCCCN(C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000048614883 354354256 /nfs/dbraw/zinc/35/42/56/354354256.db2.gz WVJDKPHDMMMYOS-UHFFFAOYSA-N 0 3 319.449 2.076 20 10 DECDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCCN1C ZINC000139403484 355876854 /nfs/dbraw/zinc/87/68/54/355876854.db2.gz ZIBSOIXGWPCJNJ-QGZVFWFLSA-N 0 3 318.465 2.378 20 10 DECDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC(=O)NC(C)C ZINC000076074388 283297535 /nfs/dbraw/zinc/29/75/35/283297535.db2.gz FYLUBMQBVUOMAS-CYBMUJFWSA-N 0 3 321.421 2.227 20 10 DECDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC(=O)NC(C)C ZINC000076074388 283297536 /nfs/dbraw/zinc/29/75/36/283297536.db2.gz FYLUBMQBVUOMAS-CYBMUJFWSA-N 0 3 321.421 2.227 20 10 DECDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c1 ZINC000092218394 193174914 /nfs/dbraw/zinc/17/49/14/193174914.db2.gz VZJCSYNTJYWLOY-INIZCTEOSA-N 0 3 320.433 2.088 20 10 DECDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H]2CN2CCOCC2)c1 ZINC000092218394 193174916 /nfs/dbraw/zinc/17/49/16/193174916.db2.gz VZJCSYNTJYWLOY-INIZCTEOSA-N 0 3 320.433 2.088 20 10 DECDHN COc1cccc(CN2CCC[C@H](OC(=O)N(C)C)C2)c1O ZINC000294697172 533479098 /nfs/dbraw/zinc/47/90/98/533479098.db2.gz CTWWFESGBIBNRM-ZDUSSCGKSA-N 0 3 308.378 2.063 20 10 DECDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2=CCN(C)CC2)c1 ZINC000273504087 130129503 /nfs/dbraw/zinc/12/95/03/130129503.db2.gz QTDBLTKUXNSPEN-LBPRGKRZSA-N 0 3 304.390 2.091 20 10 DECDHN CSC[C@@H]1CCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298587217 132069572 /nfs/dbraw/zinc/06/95/72/132069572.db2.gz KBPWJYQDJIVVIE-INIZCTEOSA-N 0 3 321.490 2.196 20 10 DECDHN c1cc(N2CCOCC2)ccc1CN1CCN2CCCC[C@@H]2C1 ZINC000092616078 402006210 /nfs/dbraw/zinc/00/62/10/402006210.db2.gz RVGZBDSJJYTZKW-LJQANCHMSA-N 0 3 315.461 2.193 20 10 DECDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccc(F)cc1 ZINC000109772656 402276210 /nfs/dbraw/zinc/27/62/10/402276210.db2.gz AKXDJQBLQLCUNT-HNNXBMFYSA-N 0 3 305.349 2.403 20 10 DECDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccc(F)cc1 ZINC000109772656 402276211 /nfs/dbraw/zinc/27/62/11/402276211.db2.gz AKXDJQBLQLCUNT-HNNXBMFYSA-N 0 3 305.349 2.403 20 10 DECDHN C[C@H]([NH2+]CCCN1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000184900013 402307979 /nfs/dbraw/zinc/30/79/79/402307979.db2.gz HLTNYCBXDCBZFX-ZDUSSCGKSA-N 0 3 311.857 2.334 20 10 DECDHN CCS(=O)(=O)CCN[C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185331122 402343937 /nfs/dbraw/zinc/34/39/37/402343937.db2.gz VUFOIPDHJXTVFE-GFCCVEGCSA-N 0 3 311.447 2.356 20 10 DECDHN Cc1ccc([C@H](C)[NH2+]Cc2cccc(OCC(N)=O)c2)c([O-])c1 ZINC000185578186 402362318 /nfs/dbraw/zinc/36/23/18/402362318.db2.gz PVIVKDVMGYODOC-ZDUSSCGKSA-N 0 3 314.385 2.416 20 10 DECDHN COc1cccc(C[NH2+]CCNC(=O)c2ccc(C)cc2)c1[O-] ZINC000237199153 402399240 /nfs/dbraw/zinc/39/92/40/402399240.db2.gz NDLYVKRMIVJZLC-UHFFFAOYSA-N 0 3 314.385 2.229 20 10 DECDHN COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(C)ccc1[O-])CC2 ZINC000186102685 402402109 /nfs/dbraw/zinc/40/21/09/402402109.db2.gz BTMBHQWRPLYINW-OLZOCXBDSA-N 0 3 316.405 2.104 20 10 DECDHN C[C@H](C(=O)NCCc1ccc(O)c(O)c1)N1[C@H](C)CC[C@@H]1C ZINC000245689039 402480192 /nfs/dbraw/zinc/48/01/92/402480192.db2.gz LIVHKYIIQBXOFA-FRRDWIJNSA-N 0 3 306.406 2.018 20 10 DECDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccccc1F ZINC000178857026 402547365 /nfs/dbraw/zinc/54/73/65/402547365.db2.gz DIFKICYWZLEAJF-CQSZACIVSA-N 0 3 305.349 2.403 20 10 DECDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccccc1F ZINC000178857026 402547367 /nfs/dbraw/zinc/54/73/67/402547367.db2.gz DIFKICYWZLEAJF-CQSZACIVSA-N 0 3 305.349 2.403 20 10 DECDHN C[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C[C@H]1n1ccnc1 ZINC000246676660 402540281 /nfs/dbraw/zinc/54/02/81/402540281.db2.gz QSVCFCBOYXSXPM-GXTWGEPZSA-N 0 3 315.373 2.401 20 10 DECDHN C[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C[C@H]1n1ccnc1 ZINC000246676660 402540282 /nfs/dbraw/zinc/54/02/82/402540282.db2.gz QSVCFCBOYXSXPM-GXTWGEPZSA-N 0 3 315.373 2.401 20 10 DECDHN CCOc1cccc(CN2CCC[C@@H](n3cncn3)C2)c1O ZINC000179466437 402590815 /nfs/dbraw/zinc/59/08/15/402590815.db2.gz KAXMJRUUVGOBMA-CQSZACIVSA-N 0 3 302.378 2.220 20 10 DECDHN [O-]c1ccc(Br)cc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179952802 402604322 /nfs/dbraw/zinc/60/43/22/402604322.db2.gz DRZUPTUILHQZRW-CYBMUJFWSA-N 0 3 311.223 2.435 20 10 DECDHN [O-]c1ccc(Br)cc1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000179952802 402604323 /nfs/dbraw/zinc/60/43/23/402604323.db2.gz DRZUPTUILHQZRW-CYBMUJFWSA-N 0 3 311.223 2.435 20 10 DECDHN CN1CCC(NC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000173392720 402695654 /nfs/dbraw/zinc/69/56/54/402695654.db2.gz PMVOWUNRQYFXFW-UHFFFAOYSA-N 0 3 317.433 2.164 20 10 DECDHN COc1cccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c1[O-] ZINC000263688898 402791577 /nfs/dbraw/zinc/79/15/77/402791577.db2.gz OIPQPEZIJXTZAP-AWEZNQCLSA-N 0 3 319.376 2.481 20 10 DECDHN CCOc1cccc(CNCc2ccc(NC(C)=O)nc2)c1O ZINC000278769798 402870714 /nfs/dbraw/zinc/87/07/14/402870714.db2.gz YCPZFHMRDNRCGX-UHFFFAOYSA-N 0 3 315.373 2.434 20 10 DECDHN C[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1cc2c(cc1[O-])CCCC2 ZINC000278847468 402877701 /nfs/dbraw/zinc/87/77/01/402877701.db2.gz QBXPZQBQGKZUNY-JCGVRSQUSA-N 0 3 305.418 2.462 20 10 DECDHN COc1cc([O-])c(C[NH2+]CCC(=O)OC(C)(C)C)cc1OC ZINC000271823076 402884509 /nfs/dbraw/zinc/88/45/09/402884509.db2.gz NHJKWYULACDZKP-UHFFFAOYSA-N 0 3 311.378 2.231 20 10 DECDHN C[C@@H](CCO)C1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CCC1 ZINC000271829583 402884762 /nfs/dbraw/zinc/88/47/62/402884762.db2.gz OPOIOEQFKBOXLH-LBPRGKRZSA-N 0 3 307.390 2.399 20 10 DECDHN COc1ccc(O)c([C@@H](C)NCc2ccc(C)n(C)c2=O)c1 ZINC000279469967 402946103 /nfs/dbraw/zinc/94/61/03/402946103.db2.gz JUNAHOCUWURKGZ-GFCCVEGCSA-N 0 3 302.374 2.259 20 10 DECDHN CC[C@H]([NH2+]CCS(=O)(=O)NC(C)C)c1ccc(C)cc1[O-] ZINC000280115266 402967335 /nfs/dbraw/zinc/96/73/35/402967335.db2.gz NUYSXOWJFBALRS-AWEZNQCLSA-N 0 3 314.451 2.069 20 10 DECDHN C[C@@H](NCC1(S(C)(=O)=O)CCC1)c1ccc(N(C)C)cc1 ZINC000281205300 403060658 /nfs/dbraw/zinc/06/06/58/403060658.db2.gz SGYQKQFADMJYIZ-CYBMUJFWSA-N 0 3 310.463 2.371 20 10 DECDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)Cn1cccn1 ZINC000282428847 403153064 /nfs/dbraw/zinc/15/30/64/403153064.db2.gz JXYFYYVMUAETLE-MRXNPFEDSA-N 0 3 303.406 2.252 20 10 DECDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)Cn1cccn1 ZINC000282428847 403153066 /nfs/dbraw/zinc/15/30/66/403153066.db2.gz JXYFYYVMUAETLE-MRXNPFEDSA-N 0 3 303.406 2.252 20 10 DECDHN C[C@H](NC1CC1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000294976796 403738738 /nfs/dbraw/zinc/73/87/38/403738738.db2.gz GTROANAIMXDIRC-BBRMVZONSA-N 0 3 318.417 2.040 20 10 DECDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)CN(C)C ZINC000355597453 404352399 /nfs/dbraw/zinc/35/23/99/404352399.db2.gz HZVXUJYBAGBBNO-GFCCVEGCSA-N 0 3 302.422 2.236 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1OC ZINC000371361177 227070583 /nfs/dbraw/zinc/07/05/83/227070583.db2.gz OCESQPOPFMSNNQ-OLZOCXBDSA-N 0 3 307.390 2.268 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1OC ZINC000371361177 227070585 /nfs/dbraw/zinc/07/05/85/227070585.db2.gz OCESQPOPFMSNNQ-OLZOCXBDSA-N 0 3 307.390 2.268 20 10 DECDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000378418183 227214645 /nfs/dbraw/zinc/21/46/45/227214645.db2.gz COKIULPRUVMTGB-RHSMWYFYSA-N 0 3 307.390 2.219 20 10 DECDHN C[C@@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000185391900 333207970 /nfs/dbraw/zinc/20/79/70/333207970.db2.gz XSRBGIJAIMQYCE-QWHCGFSZSA-N 0 3 311.857 2.332 20 10 DECDHN CC1(C)[C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)[C@@H]2CCCO[C@H]21 ZINC000360035889 337084094 /nfs/dbraw/zinc/08/40/94/337084094.db2.gz LJQXUCPSDRSAHV-IUIKQTSFSA-N 0 3 305.374 2.414 20 10 DECDHN CCO[C@H]1C[C@@](CO)([NH2+]Cc2cc(OC)ccc2[O-])C1(C)C ZINC000188900361 520559847 /nfs/dbraw/zinc/55/98/47/520559847.db2.gz GJPIPJBRGUDMFK-RDJZCZTQSA-N 0 3 309.406 2.057 20 10 DECDHN COc1cc([O-])c(C[N@H+](C)CCCn2ccnc2C)cc1OC ZINC000160459729 522770359 /nfs/dbraw/zinc/77/03/59/522770359.db2.gz MVHQJVFLCXKJIP-UHFFFAOYSA-N 0 3 319.405 2.436 20 10 DECDHN COc1cc([O-])c(C[N@@H+](C)CCCn2ccnc2C)cc1OC ZINC000160459729 522770366 /nfs/dbraw/zinc/77/03/66/522770366.db2.gz MVHQJVFLCXKJIP-UHFFFAOYSA-N 0 3 319.405 2.436 20 10 DECDHN C[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)N1CCC(C)CC1 ZINC000180714548 524367896 /nfs/dbraw/zinc/36/78/96/524367896.db2.gz KPODRJXKMHBCOD-YVARQFDVSA-N 0 3 318.417 2.348 20 10 DECDHN COCCn1cc(CN[C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000274835904 536846411 /nfs/dbraw/zinc/84/64/11/536846411.db2.gz VGMSPFBTAMESHY-CQSZACIVSA-N 0 3 302.422 2.446 20 10 DECDHN COC[C@](C)(CC(=O)OC)NC/C=C/c1ccc(N(C)C)cc1 ZINC000835048634 649871575 /nfs/dbraw/zinc/87/15/75/649871575.db2.gz WVWGSJJXOGAHLZ-DKFQHHCZSA-N 0 3 320.433 2.324 20 10 DECDHN CCOc1ccc(O)c(CN[C@@H]2C[C@H]3CCCCN3C2=O)c1 ZINC000835074708 649875716 /nfs/dbraw/zinc/87/57/16/649875716.db2.gz TVHQTVSKFXFARZ-UKRRQHHQSA-N 0 3 304.390 2.034 20 10 DECDHN COc1ccc(CNCc2c(C)nn(C)c2C)c(O)c1OC ZINC000892847751 625659314 /nfs/dbraw/zinc/65/93/14/625659314.db2.gz YOHPVQGSXFNFDA-UHFFFAOYSA-N 0 3 305.378 2.050 20 10 DECDHN COc1cc(CN2CCN(C3CCOCC3)CC2)c(O)cc1C ZINC000160348295 623646866 /nfs/dbraw/zinc/64/68/66/623646866.db2.gz AEGWDRNEKGHCCS-UHFFFAOYSA-N 0 3 320.433 2.006 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)COC(C)(C)C)N(C)C)cc1 ZINC000891248679 623794674 /nfs/dbraw/zinc/79/46/74/623794674.db2.gz MUYVSFXPTKSYSB-INIZCTEOSA-N 0 3 321.465 2.287 20 10 DECDHN COCC(C)(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252712 623798061 /nfs/dbraw/zinc/79/80/61/623798061.db2.gz MVPRJMQNHJPHKI-INIZCTEOSA-N 0 3 321.465 2.144 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)C2=CCCCO2)N(C)C)cc1 ZINC000891252389 623799218 /nfs/dbraw/zinc/79/92/18/623799218.db2.gz KINVBQCZCVQLBG-MRXNPFEDSA-N 0 3 317.433 2.166 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)c2ccccn2)N(C)C)cc1 ZINC000891258147 623804719 /nfs/dbraw/zinc/80/47/19/623804719.db2.gz OLKDNTLVEYSNEW-KRWDZBQOSA-N 0 3 312.417 2.180 20 10 DECDHN CC(C)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891445648 624186550 /nfs/dbraw/zinc/18/65/50/624186550.db2.gz RBTPITSFIQRVSN-INIZCTEOSA-N 0 3 306.454 2.311 20 10 DECDHN COc1cc(CNCc2ccc(OC)c(OC)c2O)ccn1 ZINC000892920607 625713911 /nfs/dbraw/zinc/71/39/11/625713911.db2.gz YFDGAMANKSLZBT-UHFFFAOYSA-N 0 3 304.346 2.103 20 10 DECDHN CC1CC(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000893398501 633339660 /nfs/dbraw/zinc/33/96/60/633339660.db2.gz XZEIVALVPGAGJS-PUJMQQBBSA-N 0 3 318.465 2.453 20 10 DECDHN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H](NCCF)C2)cc1 ZINC001001033441 635392751 /nfs/dbraw/zinc/39/27/51/635392751.db2.gz XOTDYKFDANQPFK-CYBMUJFWSA-N 0 3 321.356 2.013 20 10 DECDHN CCOc1ccc(CN2CCCc3c(cnn3C)C2)c(O)c1 ZINC000840955199 635597225 /nfs/dbraw/zinc/59/72/25/635597225.db2.gz RXWMYJCSWCSFPC-UHFFFAOYSA-N 0 3 301.390 2.473 20 10 DECDHN C[C@H](NC(=O)N[C@@H]1CCN(C)[C@H]1C)c1ccc(N(C)C)cc1 ZINC000922056278 635830983 /nfs/dbraw/zinc/83/09/83/635830983.db2.gz XOAZRVOJLXKINQ-HEHGZKQESA-N 0 3 304.438 2.205 20 10 DECDHN O=C(NCc1c([O-])cccc1F)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000922203828 635994771 /nfs/dbraw/zinc/99/47/71/635994771.db2.gz DXPRFGVIFUIGIO-CYBMUJFWSA-N 0 3 321.396 2.347 20 10 DECDHN O=C(NCc1c([O-])cccc1F)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000922203828 635994775 /nfs/dbraw/zinc/99/47/75/635994775.db2.gz DXPRFGVIFUIGIO-CYBMUJFWSA-N 0 3 321.396 2.347 20 10 DECDHN COc1ccc(O)c([C@H](C)NCc2c3c(nn2C)CCC3)c1 ZINC000922213997 636006812 /nfs/dbraw/zinc/00/68/12/636006812.db2.gz VJVJVWIKTSKHPI-NSHDSACASA-N 0 3 301.390 2.474 20 10 DECDHN CCOc1ccc(C[NH2+]CC2(C3(O)CCOCC3)CC2)c([O-])c1 ZINC000922596798 636274239 /nfs/dbraw/zinc/27/42/39/636274239.db2.gz GOTGLCROPNYWMA-UHFFFAOYSA-N 0 3 321.417 2.202 20 10 DECDHN CCO[C@H](CNCc1c([O-])ccc(Cl)c1F)C[NH+](C)C ZINC000922753726 636377250 /nfs/dbraw/zinc/37/72/50/636377250.db2.gz IFCLHEUIDXSQJC-SNVBAGLBSA-N 0 3 304.793 2.241 20 10 DECDHN CCO[C@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)CN(C)C ZINC000922753726 636377251 /nfs/dbraw/zinc/37/72/51/636377251.db2.gz IFCLHEUIDXSQJC-SNVBAGLBSA-N 0 3 304.793 2.241 20 10 DECDHN CC[C@@H](O)CCNCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894352730 636926483 /nfs/dbraw/zinc/92/64/83/636926483.db2.gz RQOPNGLRHGDNFL-GFCCVEGCSA-N 0 3 322.380 2.355 20 10 DECDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000741140383 637942562 /nfs/dbraw/zinc/94/25/62/637942562.db2.gz QDBSDIGOPNXNCV-CHWSQXEVSA-N 0 3 307.413 2.381 20 10 DECDHN CCOC(=O)[C@@H](C)C1CN(Cc2cc(C)cc(OC)c2O)C1 ZINC000895476991 638045126 /nfs/dbraw/zinc/04/51/26/638045126.db2.gz OPKPGRKCVHLNKR-LBPRGKRZSA-N 0 3 307.390 2.340 20 10 DECDHN C[C@H]1C[C@@H]([NH2+]CCN2CCO[C@H](C)C2)c2c1c(F)ccc2[O-] ZINC000756547345 639672409 /nfs/dbraw/zinc/67/24/09/639672409.db2.gz ZXKCZTBUOMFDOJ-OUCADQQQSA-N 0 3 308.397 2.390 20 10 DECDHN CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000761223896 640287930 /nfs/dbraw/zinc/28/79/30/640287930.db2.gz UHKUAPMUWRXVJD-JSGCOSHPSA-N 0 3 315.797 2.338 20 10 DECDHN CC[C@@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000030143459 640723711 /nfs/dbraw/zinc/72/37/11/640723711.db2.gz ZPFAAHJTHGULRM-OAHLLOKOSA-N 0 3 303.450 2.491 20 10 DECDHN O=C(NCc1ccccc1O)NC[C@@H]1NCCc2ccccc21 ZINC000841992802 650621983 /nfs/dbraw/zinc/62/19/83/650621983.db2.gz YBDVYSWUNMFGSG-INIZCTEOSA-N 0 3 311.385 2.078 20 10 DECDHN Cc1ccc(C[NH2+]C[C@]2(c3cnn(C)c3)CCCO2)c([O-])c1 ZINC000898049885 640999535 /nfs/dbraw/zinc/99/95/35/640999535.db2.gz MCXYUJLEUHOIBO-KRWDZBQOSA-N 0 3 301.390 2.230 20 10 DECDHN CC(C)CO[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768464122 641085277 /nfs/dbraw/zinc/08/52/77/641085277.db2.gz NMXFUGDQHCHVQS-CJNGLKHVSA-N 0 3 307.390 2.065 20 10 DECDHN CC(C)CO[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768464122 641085279 /nfs/dbraw/zinc/08/52/79/641085279.db2.gz NMXFUGDQHCHVQS-CJNGLKHVSA-N 0 3 307.390 2.065 20 10 DECDHN Oc1cc2c(cc1CN1CCc3ccsc3C1)[C@H](O)CO2 ZINC000768466254 641085760 /nfs/dbraw/zinc/08/57/60/641085760.db2.gz WWVRNFOYRVMRMK-CQSZACIVSA-N 0 3 303.383 2.438 20 10 DECDHN COc1cccc([O-])c1C[N@H+](C)CC(C)(C)CN1CCOCC1 ZINC000769513971 641252932 /nfs/dbraw/zinc/25/29/32/641252932.db2.gz HQSXUOKNAXULET-UHFFFAOYSA-N 0 3 322.449 2.191 20 10 DECDHN COc1cccc([O-])c1C[N@@H+](C)CC(C)(C)CN1CCOCC1 ZINC000769513971 641252940 /nfs/dbraw/zinc/25/29/40/641252940.db2.gz HQSXUOKNAXULET-UHFFFAOYSA-N 0 3 322.449 2.191 20 10 DECDHN Cc1cc(CNC[C@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC000898447411 641665508 /nfs/dbraw/zinc/66/55/08/641665508.db2.gz JMQGZKWWTURYAO-QGZVFWFLSA-N 0 3 302.422 2.442 20 10 DECDHN Cc1cc(CNC[C@@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC000898447410 641665617 /nfs/dbraw/zinc/66/56/17/641665617.db2.gz JMQGZKWWTURYAO-KRWDZBQOSA-N 0 3 302.422 2.442 20 10 DECDHN C[C@H](NC(=O)N[C@H]1CCN(C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000773372414 641765733 /nfs/dbraw/zinc/76/57/33/641765733.db2.gz SPLYEYXNINERCT-ZFWWWQNUSA-N 0 3 316.449 2.350 20 10 DECDHN CC(C)NC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774482586 641908545 /nfs/dbraw/zinc/90/85/45/641908545.db2.gz LWFYRSREPNRODO-STQMWFEESA-N 0 3 320.437 2.026 20 10 DECDHN CC(C)N(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899102998 641934797 /nfs/dbraw/zinc/93/47/97/641934797.db2.gz UOLKRDZUQXQPCZ-INIZCTEOSA-N 0 3 306.454 2.405 20 10 DECDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCCO1 ZINC000775834925 642102967 /nfs/dbraw/zinc/10/29/67/642102967.db2.gz VXVCBHYZKYNFLP-ZQIUZPCESA-N 0 3 319.449 2.087 20 10 DECDHN Cc1n[nH]cc1[C@H](C)NCc1ccc(N2CCOCC2)cc1 ZINC000779022494 642457049 /nfs/dbraw/zinc/45/70/49/642457049.db2.gz CDMCYJGSDQDRMO-ZDUSSCGKSA-N 0 3 300.406 2.406 20 10 DECDHN COC(=O)c1ccc([O-])c([C@@H](C)NC[C@@H]2CCCCC[NH2+]2)c1 ZINC000902482108 643057112 /nfs/dbraw/zinc/05/71/12/643057112.db2.gz JFNCQIAJKAWRSL-OCCSQVGLSA-N 0 3 306.406 2.362 20 10 DECDHN C[NH+](C)CCc1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC000783857611 643061609 /nfs/dbraw/zinc/06/16/09/643061609.db2.gz IWQHZQYJRDBVNP-UHFFFAOYSA-N 0 3 300.358 2.454 20 10 DECDHN Cc1ccc(C(=O)NC[C@@H]2N(C)CCCC2(C)C)c(O)c1O ZINC000791146015 643933658 /nfs/dbraw/zinc/93/36/58/643933658.db2.gz DHSRECANHGBIMV-ZDUSSCGKSA-N 0 3 306.406 2.256 20 10 DECDHN CN(C)c1ccc(CNCC[S@@](C)=O)c(C(F)(F)F)c1 ZINC000792993258 644177592 /nfs/dbraw/zinc/17/75/92/644177592.db2.gz SRMFVRVHADGLKA-HXUWFJFHSA-N 0 3 308.369 2.240 20 10 DECDHN COC[C@@](C)(CO)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000793046889 644184530 /nfs/dbraw/zinc/18/45/30/644184530.db2.gz DYACFNXXBKWSNZ-CQSZACIVSA-N 0 3 320.355 2.258 20 10 DECDHN CCOc1ccc(C[NH2+]C[C@@H]2CCCN(C(C)=O)C2)c([O-])c1 ZINC000793284891 644225859 /nfs/dbraw/zinc/22/58/59/644225859.db2.gz JEZBYCFYWWAHJC-AWEZNQCLSA-N 0 3 306.406 2.139 20 10 DECDHN COC(=O)c1ccc(C[NH2+]Cc2ccc(OC)cc2[O-])cc1 ZINC000793388537 644244540 /nfs/dbraw/zinc/24/45/40/644244540.db2.gz PNXOFCFKFOYQSW-UHFFFAOYSA-N 0 3 301.342 2.477 20 10 DECDHN Oc1cc2c(cc1CN1CCO[C@]3(CCCOC3)C1)CCC2 ZINC000795633668 644608884 /nfs/dbraw/zinc/60/88/84/644608884.db2.gz DVBSSEIOJZTIER-GOSISDBHSA-N 0 3 303.402 2.262 20 10 DECDHN COc1cccc(CNCc2cnc(C3OCCO3)s2)c1O ZINC000809740898 646273877 /nfs/dbraw/zinc/27/38/77/646273877.db2.gz FIOGGKDPFZRWFV-UHFFFAOYSA-N 0 3 322.386 2.193 20 10 DECDHN COc1cc(Cl)cc(CN(CC(N)=O)C2CCCC2)c1O ZINC000228595114 646633409 /nfs/dbraw/zinc/63/34/09/646633409.db2.gz DFROZMZWGHBLBZ-UHFFFAOYSA-N 0 3 312.797 2.284 20 10 DECDHN O=C(NCCC[NH+]1CCCCC1)NCc1c([O-])cccc1F ZINC000913936150 647104932 /nfs/dbraw/zinc/10/49/32/647104932.db2.gz HFJZPSHPJCLQRN-UHFFFAOYSA-N 0 3 309.385 2.207 20 10 DECDHN C[C@@H](CNC(=O)NCc1c([O-])cccc1F)[NH+]1CCCCC1 ZINC000914294408 647253539 /nfs/dbraw/zinc/25/35/39/647253539.db2.gz ZQQDKPJRTFOYIG-LBPRGKRZSA-N 0 3 309.385 2.205 20 10 DECDHN CNC(=O)[C@H]1CC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000817370020 647279028 /nfs/dbraw/zinc/27/90/28/647279028.db2.gz JMBXGGPUBFGDEA-ZDUSSCGKSA-N 0 3 314.385 2.122 20 10 DECDHN CNC(=O)[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000817370020 647279032 /nfs/dbraw/zinc/27/90/32/647279032.db2.gz JMBXGGPUBFGDEA-ZDUSSCGKSA-N 0 3 314.385 2.122 20 10 DECDHN CC(=O)N[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000817413262 647289287 /nfs/dbraw/zinc/28/92/87/647289287.db2.gz UYLACZKACXMTTG-KRWDZBQOSA-N 0 3 301.434 2.387 20 10 DECDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cnccc1N ZINC000817894212 647374015 /nfs/dbraw/zinc/37/40/15/647374015.db2.gz KWNIDZHJOUDMBX-CQSZACIVSA-N 0 3 312.417 2.182 20 10 DECDHN O[C@H](CNCc1ccc(N2CCSCC2)cc1)C(F)(F)F ZINC000818964117 647550581 /nfs/dbraw/zinc/55/05/81/647550581.db2.gz LHCOCMWVDHZQKG-CYBMUJFWSA-N 0 3 320.380 2.253 20 10 DECDHN CN(C)c1ccc(CNC[C@H](O)c2ccc(F)cn2)cc1F ZINC000818984742 647557488 /nfs/dbraw/zinc/55/74/88/647557488.db2.gz FTAWMJGWEYESBH-INIZCTEOSA-N 0 3 307.344 2.249 20 10 DECDHN C[C@@H](NCc1ccc(N(C)Cc2cccs2)cc1)C(N)=O ZINC000824296975 648560987 /nfs/dbraw/zinc/56/09/87/648560987.db2.gz NEHPHDOEHMXNSS-GFCCVEGCSA-N 0 3 303.431 2.348 20 10 DECDHN Cc1cc([O-])c(C[NH2+]C2(CCO)CCN(C)CC2)cc1Cl ZINC000825519999 648774718 /nfs/dbraw/zinc/77/47/18/648774718.db2.gz QSWMTJWQIAEHIX-UHFFFAOYSA-N 0 3 312.841 2.290 20 10 DECDHN COc1ccc(O)c([C@H](C)NCC(=O)N2CCCCCC2)c1 ZINC000182313691 648873564 /nfs/dbraw/zinc/87/35/64/648873564.db2.gz LRTWDPZGSFHVFS-ZDUSSCGKSA-N 0 3 306.406 2.454 20 10 DECDHN CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000185021844 649423470 /nfs/dbraw/zinc/42/34/70/649423470.db2.gz WXXRTGHQWYFKMG-UONOGXRCSA-N 0 3 309.429 2.208 20 10 DECDHN CN(C)CCN(Cc1cccs1)C(=O)Cc1ccc(N)cc1 ZINC000831133402 649542244 /nfs/dbraw/zinc/54/22/44/649542244.db2.gz WRSFSEISHKJNRH-UHFFFAOYSA-N 0 3 317.458 2.463 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H]4C[C@H]3C[S@@]4=O)c2c1 ZINC000844744077 651163732 /nfs/dbraw/zinc/16/37/32/651163732.db2.gz DZBGXNWIBLGYCT-RGDDPNHNSA-N 0 3 317.410 2.259 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H]4C[C@H]3C[S@@]4=O)c2c1 ZINC000844744077 651163735 /nfs/dbraw/zinc/16/37/35/651163735.db2.gz DZBGXNWIBLGYCT-RGDDPNHNSA-N 0 3 317.410 2.259 20 10 DECDHN CCc1cccc(CN2CCN(C[C@@H]3CCCO3)CC2)c1O ZINC000848879999 651542465 /nfs/dbraw/zinc/54/24/65/651542465.db2.gz KQWCQSFHEVUSCR-KRWDZBQOSA-N 0 3 304.434 2.251 20 10 DECDHN CCNC(=O)[C@H](C)NCc1cc(OC)cc(C(C)(C)C)c1O ZINC000850011438 651802149 /nfs/dbraw/zinc/80/21/49/651802149.db2.gz WHSPUCCJJOKZSG-NSHDSACASA-N 0 3 308.422 2.313 20 10 DECDHN COC(=O)N1CC(NCc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000850200265 651860793 /nfs/dbraw/zinc/86/07/93/651860793.db2.gz UPJZCTVHYPFALA-UHFFFAOYSA-N 0 3 322.405 2.239 20 10 DECDHN CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H]1COC(C)(C)O1 ZINC000851717557 652214337 /nfs/dbraw/zinc/21/43/37/652214337.db2.gz XQCMSTWBNUZYCH-QGZVFWFLSA-N 0 3 320.433 2.107 20 10 DECDHN COC(CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)OC ZINC000851841602 652256081 /nfs/dbraw/zinc/25/60/81/652256081.db2.gz VOMLKLDEKXEXGO-HNNXBMFYSA-N 0 3 309.406 2.382 20 10 DECDHN COC(CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)OC ZINC000851841602 652256087 /nfs/dbraw/zinc/25/60/87/652256087.db2.gz VOMLKLDEKXEXGO-HNNXBMFYSA-N 0 3 309.406 2.382 20 10 DECDHN C[C@H](CO[C@H]1CCOC1)NCc1cc(F)c(N(C)C)cc1F ZINC000858149631 652267063 /nfs/dbraw/zinc/26/70/63/652267063.db2.gz QDESSMTVCNMASN-YPMHNXCESA-N 0 3 314.376 2.314 20 10 DECDHN CO[C@@H](CNCc1cc(F)c(N(C)C)cc1F)[C@@H]1CCOC1 ZINC000858186967 652274579 /nfs/dbraw/zinc/27/45/79/652274579.db2.gz GPCSUGODIZJDLF-BZNIZROVSA-N 0 3 314.376 2.172 20 10 DECDHN Oc1cc2c(cc1CN1CCN([C@H]3CCOC3)CC1)CCCC2 ZINC000853552490 652567233 /nfs/dbraw/zinc/56/72/33/652567233.db2.gz GULYJAYMSBPPRQ-SFHVURJKSA-N 0 3 316.445 2.178 20 10 DECDHN C[C@H]([NH2+]CC(=O)NCc1ccccc1)c1cc(F)ccc1[O-] ZINC000393748192 685453706 /nfs/dbraw/zinc/45/37/06/685453706.db2.gz LYDVJPRXHCBKFA-LBPRGKRZSA-N 0 3 302.349 2.498 20 10 DECDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COC[C@H]1CCCO1 ZINC000247706212 685153160 /nfs/dbraw/zinc/15/31/60/685153160.db2.gz YXGUTPWVJSWCEU-DLBZAZTESA-N 0 3 323.433 2.161 20 10 DECDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)COC[C@H]1CCCO1 ZINC000247706212 685153166 /nfs/dbraw/zinc/15/31/66/685153166.db2.gz YXGUTPWVJSWCEU-DLBZAZTESA-N 0 3 323.433 2.161 20 10 DECDHN [O-]c1c(C[NH+]2CCN(c3nccnn3)CC2)ccc2ccccc21 ZINC000862444419 686304484 /nfs/dbraw/zinc/30/44/84/686304484.db2.gz WLYVQHQIYNUSTD-UHFFFAOYSA-N 0 3 321.384 2.053 20 10 DECDHN COc1cccc([O-])c1C[NH+]1CCC(C)(N2CCOCC2)CC1 ZINC000862503254 686312281 /nfs/dbraw/zinc/31/22/81/686312281.db2.gz OISGNNGEFLFGCR-UHFFFAOYSA-N 0 3 320.433 2.088 20 10 DECDHN COc1ccc(N(C)CCN(C)C(=O)CN(C)C2CCC2)cc1 ZINC000863927937 686595526 /nfs/dbraw/zinc/59/55/26/686595526.db2.gz VSAZVQNUZISYNZ-UHFFFAOYSA-N 0 3 319.449 2.074 20 10 DECDHN C[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000929917982 694054315 /nfs/dbraw/zinc/05/43/15/694054315.db2.gz RDISQGAMXJTZQY-GUYCJALGSA-N 0 3 318.465 2.453 20 10 DECDHN COCCc1ncc(CNCc2cc(OC)ccc2O)s1 ZINC000865463912 687222012 /nfs/dbraw/zinc/22/20/12/687222012.db2.gz QGOKKWIPPHBKLM-UHFFFAOYSA-N 0 3 308.403 2.336 20 10 DECDHN COC(=O)c1cncc(CN[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000930217304 694114081 /nfs/dbraw/zinc/11/40/81/694114081.db2.gz VSEUWYHXIVJMQZ-NSHDSACASA-N 0 3 316.357 2.433 20 10 DECDHN Cc1ccc(C[NH+]2CCC([C@H](O)c3ccnn3C)CC2)c([O-])c1 ZINC000877646097 690178786 /nfs/dbraw/zinc/17/87/86/690178786.db2.gz CVZDGQAMYVDZQJ-SFHVURJKSA-N 0 3 315.417 2.380 20 10 DECDHN Cc1cc(Cl)cc(C[NH2+]C2CN(c3ccncn3)C2)c1[O-] ZINC000877702324 690196665 /nfs/dbraw/zinc/19/66/65/690196665.db2.gz PNCFZAAXZCCRPG-UHFFFAOYSA-N 0 3 304.781 2.122 20 10 DECDHN COCCCCN1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879463046 690647168 /nfs/dbraw/zinc/64/71/68/690647168.db2.gz ONPYNFNPSJVNQY-UHFFFAOYSA-N 0 3 308.422 2.252 20 10 DECDHN Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879650018 690699340 /nfs/dbraw/zinc/69/93/40/690699340.db2.gz XYKDVKMYWJPRJR-PWSUYJOCSA-N 0 3 316.405 2.420 20 10 DECDHN CCOc1ccc(C[NH2+][C@H](COC)[C@@H]2CCCOC2)c([O-])c1 ZINC000886359397 692065388 /nfs/dbraw/zinc/06/53/88/692065388.db2.gz BNLHMNXOYUWAOI-GDBMZVCRSA-N 0 3 309.406 2.322 20 10 DECDHN CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2c([O-])cccc2F)CC1 ZINC000886504235 692095910 /nfs/dbraw/zinc/09/59/10/692095910.db2.gz XQMFAXGVQITEDZ-KBPBESRZSA-N 0 3 309.429 2.208 20 10 DECDHN CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2c([O-])cccc2F)CC1 ZINC000886522318 692100707 /nfs/dbraw/zinc/10/07/07/692100707.db2.gz HDTQEMWXQQMCDQ-CABCVRRESA-N 0 3 323.456 2.456 20 10 DECDHN C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1c([O-])cccc1F ZINC000886607188 692130946 /nfs/dbraw/zinc/13/09/46/692130946.db2.gz MEPVZMAHGAYXST-CYBMUJFWSA-N 0 3 309.429 2.208 20 10 DECDHN COC(=O)[C@]1(OC)CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001335329734 1150397240 /nfs/dbraw/zinc/39/72/40/1150397240.db2.gz NSRLFMUYBUUGIL-SFHVURJKSA-N 0 3 318.417 2.051 20 10 DECDHN CN(C)[C@H](CNC(=O)NCc1ccc(N)cc1)c1ccccc1 ZINC001335362511 1150399663 /nfs/dbraw/zinc/39/96/63/1150399663.db2.gz YMCSZDRIIXTPGS-QGZVFWFLSA-N 0 3 312.417 2.371 20 10 DECDHN OCc1cnccc1NCc1ccc(N2CCSCC2)cc1 ZINC001351950857 1151635927 /nfs/dbraw/zinc/63/59/27/1151635927.db2.gz UKGWICSZJKSBPU-UHFFFAOYSA-N 0 3 315.442 2.161 20 10 DECDHN Cc1cc([O-])c(CN2C[C@H]([NH3+])C[C@@H](F)C2)cc1Br ZINC001206444136 795426620 /nfs/dbraw/zinc/42/66/20/795426620.db2.gz DXVFEBACNONYEC-GHMZBOCLSA-N 0 3 317.202 2.334 20 10 DECDHN Cc1cc([O-])c(CN2C[C@H](F)C[C@H]([NH3+])C2)cc1Br ZINC001206444137 795426848 /nfs/dbraw/zinc/42/68/48/795426848.db2.gz DXVFEBACNONYEC-MNOVXSKESA-N 0 3 317.202 2.334 20 10 DECDHN COc1cc(CN2CCC3(C[C@@H]3CCO)CC2)cc(O)c1O ZINC001204342930 795689095 /nfs/dbraw/zinc/68/90/95/795689095.db2.gz OPFYBOBQRKLIJZ-ZDUSSCGKSA-N 0 3 307.390 2.091 20 10 DECDHN COc1cc(N2CCN(Cc3c(O)cccc3F)CC2)ccn1 ZINC001137841424 796145233 /nfs/dbraw/zinc/14/52/33/796145233.db2.gz DTMULMVJIYZJQQ-UHFFFAOYSA-N 0 3 317.364 2.257 20 10 DECDHN CN1CCCc2cc(CN3CCC[C@]4(CNC(=O)O4)C3)ccc21 ZINC001138355764 796203972 /nfs/dbraw/zinc/20/39/72/796203972.db2.gz CBAJDLLQRUIKKK-SFHVURJKSA-N 0 3 315.417 2.143 20 10 DECDHN COc1ccc(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c([O-])c1 ZINC001203621465 796297986 /nfs/dbraw/zinc/29/79/86/796297986.db2.gz VENLHJDQLRGDKS-ZDUSSCGKSA-N 0 3 305.296 2.148 20 10 DECDHN COc1ccc(C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)c([O-])c1 ZINC001203621465 796297992 /nfs/dbraw/zinc/29/79/92/796297992.db2.gz VENLHJDQLRGDKS-ZDUSSCGKSA-N 0 3 305.296 2.148 20 10 DECDHN COc1ccc(CN2CC[C@](CO)(C(F)(F)F)C2)c(O)c1 ZINC001203621465 796297995 /nfs/dbraw/zinc/29/79/95/796297995.db2.gz VENLHJDQLRGDKS-ZDUSSCGKSA-N 0 3 305.296 2.148 20 10 DECDHN [O-]c1cc(Cl)ccc1CN1CC[NH+](C2CCOCC2)CC1 ZINC001140466985 796526548 /nfs/dbraw/zinc/52/65/48/796526548.db2.gz OWBYYRXMLFYQAJ-UHFFFAOYSA-N 0 3 310.825 2.342 20 10 DECDHN Cc1c(O)ccc(CN2CCCN(C(=O)CC(C)C)CC2)c1O ZINC001140748016 796567647 /nfs/dbraw/zinc/56/76/47/796567647.db2.gz RHGSAXSAEIOAMS-UHFFFAOYSA-N 0 3 320.433 2.487 20 10 DECDHN CCN(CC)c1ccc(CN2CCC3(C2)OCCO3)c(O)c1 ZINC001140855022 796583753 /nfs/dbraw/zinc/58/37/53/796583753.db2.gz KLCPMYAFEGWLHE-UHFFFAOYSA-N 0 3 306.406 2.187 20 10 DECDHN COc1cc([O-])c(C[N@H+](C)[C@@H]2CCC3(C2)OCCO3)c(OC)c1 ZINC001141030635 796621366 /nfs/dbraw/zinc/62/13/66/796621366.db2.gz DXMGNFOYIXXQPM-GFCCVEGCSA-N 0 3 323.389 2.137 20 10 DECDHN COc1cc([O-])c(C[N@@H+](C)[C@@H]2CCC3(C2)OCCO3)c(OC)c1 ZINC001141030635 796621367 /nfs/dbraw/zinc/62/13/67/796621367.db2.gz DXMGNFOYIXXQPM-GFCCVEGCSA-N 0 3 323.389 2.137 20 10 DECDHN C[C@@H]([NH2+]CC(=O)NCc1ccc(F)cc1)c1ccccc1[O-] ZINC001197004724 798136078 /nfs/dbraw/zinc/13/60/78/798136078.db2.gz VEBWKDKQHJDESI-GFCCVEGCSA-N 0 3 302.349 2.498 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@@H](CO)CC(F)(F)F)c1[O-] ZINC000717826865 799474036 /nfs/dbraw/zinc/47/40/36/799474036.db2.gz CTPXOACNBFERCW-SECBINFHSA-N 0 3 313.703 2.457 20 10 DECDHN COc1cc(Cl)cc(CN[C@@H](CO)CC(F)(F)F)c1O ZINC000717826865 799474039 /nfs/dbraw/zinc/47/40/39/799474039.db2.gz CTPXOACNBFERCW-SECBINFHSA-N 0 3 313.703 2.457 20 10 DECDHN CC(C)(C)OC(=O)N[C@H]1[C@H]2C[N@H+](Cc3ccccc3[O-])C[C@H]21 ZINC001203549891 800076761 /nfs/dbraw/zinc/07/67/61/800076761.db2.gz BNLXSPHBNVQRGM-AGGWBTHJSA-N 0 3 304.390 2.347 20 10 DECDHN CC(C)(C)OC(=O)N[C@H]1[C@H]2C[N@@H+](Cc3ccccc3[O-])C[C@H]21 ZINC001203549891 800076769 /nfs/dbraw/zinc/07/67/69/800076769.db2.gz BNLXSPHBNVQRGM-AGGWBTHJSA-N 0 3 304.390 2.347 20 10 DECDHN O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1[O-])C2 ZINC001203555650 800078494 /nfs/dbraw/zinc/07/84/94/800078494.db2.gz GCNGYFRNQHECIX-ZFWWWQNUSA-N 0 3 312.369 2.332 20 10 DECDHN O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1[O-])C2 ZINC001203555650 800078503 /nfs/dbraw/zinc/07/85/03/800078503.db2.gz GCNGYFRNQHECIX-ZFWWWQNUSA-N 0 3 312.369 2.332 20 10 DECDHN COc1cc(O[C@H]2CC[N@H+](Cc3ccccc3[O-])C2)ccn1 ZINC001203563011 800082312 /nfs/dbraw/zinc/08/23/12/800082312.db2.gz SSSWPBNFXJVQGD-HNNXBMFYSA-N 0 3 300.358 2.449 20 10 DECDHN COc1cc(O[C@H]2CC[N@@H+](Cc3ccccc3[O-])C2)ccn1 ZINC001203563011 800082320 /nfs/dbraw/zinc/08/23/20/800082320.db2.gz SSSWPBNFXJVQGD-HNNXBMFYSA-N 0 3 300.358 2.449 20 10 DECDHN COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(OC)cc1[O-])C2 ZINC001203622959 800092965 /nfs/dbraw/zinc/09/29/65/800092965.db2.gz HBUYXTWEZAGMKC-MSOLQXFVSA-N 0 3 321.417 2.418 20 10 DECDHN COC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(OC)cc1[O-])C2 ZINC001203622959 800092971 /nfs/dbraw/zinc/09/29/71/800092971.db2.gz HBUYXTWEZAGMKC-MSOLQXFVSA-N 0 3 321.417 2.418 20 10 DECDHN COc1ccc(C[N@@H+]2CC[C@H](Oc3ncncc3C)C2)c([O-])c1 ZINC001203634956 800096869 /nfs/dbraw/zinc/09/68/69/800096869.db2.gz CPXHGVYJSAWNQH-HNNXBMFYSA-N 0 3 315.373 2.153 20 10 DECDHN COc1ccc(C[N@H+]2CC[C@H](Oc3ncncc3C)C2)c([O-])c1 ZINC001203634956 800096875 /nfs/dbraw/zinc/09/68/75/800096875.db2.gz CPXHGVYJSAWNQH-HNNXBMFYSA-N 0 3 315.373 2.153 20 10 DECDHN COc1cc([O-])c(CN2CCC(F)(F)[C@H](C[NH3+])C2)cc1Cl ZINC001205777125 800417808 /nfs/dbraw/zinc/41/78/08/800417808.db2.gz AJNZBPNKVQNQBZ-SNVBAGLBSA-N 0 3 320.767 2.470 20 10 DECDHN COc1cc([O-])c(CN2C[C@@H]([NH3+])CC(F)(F)C2)cc1Cl ZINC001206139725 800479759 /nfs/dbraw/zinc/47/97/59/800479759.db2.gz OHXWXZOILSTOHC-VIFPVBQESA-N 0 3 306.740 2.223 20 10 DECDHN C[C@]1(CO)CC[N@H+](Cc2c([O-])ccc3ccccc32)C[C@@H]1O ZINC001231587197 801690270 /nfs/dbraw/zinc/69/02/70/801690270.db2.gz QVAKSSURISHGMY-ZWKOTPCHSA-N 0 3 301.386 2.111 20 10 DECDHN C[C@]1(CO)CC[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@@H]1O ZINC001231587197 801690272 /nfs/dbraw/zinc/69/02/72/801690272.db2.gz QVAKSSURISHGMY-ZWKOTPCHSA-N 0 3 301.386 2.111 20 10 DECDHN COc1cc(N(C)C)ccc1CN1CCC[C@](F)(CO)CC1 ZINC001231847773 801736707 /nfs/dbraw/zinc/73/67/07/801736707.db2.gz CVGUKPNIYBAYBQ-QGZVFWFLSA-N 0 3 310.413 2.448 20 10 DECDHN COC(=O)[C@H]1C[C@H](C)CN(Cc2ccc(N(C)C)cc2OC)C1 ZINC001231854022 801737547 /nfs/dbraw/zinc/73/75/47/801737547.db2.gz VXFGHKSOZCAYTL-ZFWWWQNUSA-N 0 3 320.433 2.392 20 10 DECDHN COC(=O)c1c(CN2CCC[C@H](O)CC2)c2ccccc2n1C ZINC001232402800 801870037 /nfs/dbraw/zinc/87/00/37/801870037.db2.gz PUTMUNUVGWCARS-ZDUSSCGKSA-N 0 3 316.401 2.312 20 10 DECDHN CN1CC[C@H]([N@H+](C)Cc2c([O-])cc(Br)cc2F)C1 ZINC001233031649 802008630 /nfs/dbraw/zinc/00/86/30/802008630.db2.gz JZSGIOFDFGCYFK-JTQLQIEISA-N 0 3 317.202 2.430 20 10 DECDHN CN1CC[C@H]([N@@H+](C)Cc2c([O-])cc(Br)cc2F)C1 ZINC001233031649 802008637 /nfs/dbraw/zinc/00/86/37/802008637.db2.gz JZSGIOFDFGCYFK-JTQLQIEISA-N 0 3 317.202 2.430 20 10 DECDHN Oc1cc(O)c(CN2CCC[C@H](Oc3ccncc3)C2)cc1O ZINC001233487526 802129538 /nfs/dbraw/zinc/12/95/38/802129538.db2.gz HNFOYFIJTGSUQO-AWEZNQCLSA-N 0 3 316.357 2.242 20 10 DECDHN C[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C[C@H]1O ZINC001233726275 802190939 /nfs/dbraw/zinc/19/09/39/802190939.db2.gz BOMTZSXPUMWPIR-MWLCHTKSSA-N 0 3 305.296 2.494 20 10 DECDHN C[C@@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C[C@H]1O ZINC001233726275 802190940 /nfs/dbraw/zinc/19/09/40/802190940.db2.gz BOMTZSXPUMWPIR-MWLCHTKSSA-N 0 3 305.296 2.494 20 10 DECDHN C[C@@H]1CN(c2ccc(CNCc3ccc(N)cc3)cn2)CCO1 ZINC001334753466 1150339070 /nfs/dbraw/zinc/33/90/70/1150339070.db2.gz DSLWMCMIFLCLFY-CQSZACIVSA-N 0 3 312.417 2.179 20 10 DECDHN CC[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)[C@@H](CC)CN1 ZINC001573719937 1069080660 /nfs/dbraw/zinc/08/06/60/1069080660.db2.gz QPNCDYIMVAYJMY-HOTGVXAUSA-N 0 3 318.465 2.425 20 10 DECDHN COc1cc(C)c(CN2C[C@H](C)O[C@]3(CCCOC3)C2)c(O)c1 ZINC001659017952 1080224404 /nfs/dbraw/zinc/22/44/04/1080224404.db2.gz BIVOLLDVEMDTHN-KBXCAEBGSA-N 0 3 321.417 2.479 20 10 DECDHN COc1ccc(C[NH2+]C2CCN(CC(F)F)CC2)c([O-])c1 ZINC001664450852 1080911811 /nfs/dbraw/zinc/91/18/11/1080911811.db2.gz XEYXFNKRBWIGDB-UHFFFAOYSA-N 0 3 300.349 2.220 20 10 DECDHN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H]2CNCCF)cc1 ZINC001270194964 1081471904 /nfs/dbraw/zinc/47/19/04/1081471904.db2.gz YKUJNBSDNKUETH-ZDUSSCGKSA-N 0 3 321.356 2.013 20 10 DECDHN OC[C@H]1CN(Cc2ccccc2O)CCN1Cc1ccccc1 ZINC001203547303 1084000887 /nfs/dbraw/zinc/00/08/87/1084000887.db2.gz NSBKEVNULMOHLE-GOSISDBHSA-N 0 3 312.413 2.071 20 10 DECDHN [O-]c1c(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)cccc1-c1ccccc1 ZINC001235002339 1084267047 /nfs/dbraw/zinc/26/70/47/1084267047.db2.gz PQHFNJMOJJZOLS-AEFFLSMTSA-N 0 3 313.397 2.234 20 10 DECDHN [O-]c1c(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)cccc1-c1ccccc1 ZINC001235002339 1084267057 /nfs/dbraw/zinc/26/70/57/1084267057.db2.gz PQHFNJMOJJZOLS-AEFFLSMTSA-N 0 3 313.397 2.234 20 10 DECDHN COc1cc(C[N@@H+](C)[C@H]2CCOC2)c([O-])cc1Br ZINC001236750363 1138408422 /nfs/dbraw/zinc/40/84/22/1138408422.db2.gz KXMSGDOQRXXNCP-JTQLQIEISA-N 0 3 316.195 2.384 20 10 DECDHN COc1cc(C[N@H+](C)[C@H]2CCOC2)c([O-])cc1Br ZINC001236750363 1138408418 /nfs/dbraw/zinc/40/84/18/1138408418.db2.gz KXMSGDOQRXXNCP-JTQLQIEISA-N 0 3 316.195 2.384 20 10 DECDHN CC[N@H+]1C[C@H]2CN(Cc3c([O-])cc(OC)cc3Cl)C[C@H]2C1 ZINC001236806543 1138433245 /nfs/dbraw/zinc/43/32/45/1138433245.db2.gz YCCJTXMBTQZERQ-TXEJJXNPSA-N 0 3 310.825 2.438 20 10 DECDHN CC[N@@H+]1C[C@H]2CN(Cc3c([O-])cc(OC)cc3Cl)C[C@H]2C1 ZINC001236806543 1138433249 /nfs/dbraw/zinc/43/32/49/1138433249.db2.gz YCCJTXMBTQZERQ-TXEJJXNPSA-N 0 3 310.825 2.438 20 10 DECDHN COc1cc(C)c(C[NH+]2CCC(c3nncn3C)CC2)c([O-])c1 ZINC001236811602 1138437441 /nfs/dbraw/zinc/43/74/41/1138437441.db2.gz SESFCXJNGFGHTD-UHFFFAOYSA-N 0 3 316.405 2.217 20 10 DECDHN COc1cc(C)c(C[NH+]2CCC3(CCN(C)C3=O)CC2)c([O-])c1 ZINC001236820997 1138439719 /nfs/dbraw/zinc/43/97/19/1138439719.db2.gz PZFPEPSABTZKBK-UHFFFAOYSA-N 0 3 318.417 2.154 20 10 DECDHN CNC(=O)N[C@H]1CCC[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236834643 1138441430 /nfs/dbraw/zinc/44/14/30/1138441430.db2.gz COXOOKVZUWJPTI-INIZCTEOSA-N 0 3 313.401 2.439 20 10 DECDHN CNC(=O)N[C@H]1CCC[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236834643 1138441434 /nfs/dbraw/zinc/44/14/34/1138441434.db2.gz COXOOKVZUWJPTI-INIZCTEOSA-N 0 3 313.401 2.439 20 10 DECDHN C[C@]1(CO)CCN(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236923873 1138457730 /nfs/dbraw/zinc/45/77/30/1138457730.db2.gz IJGPPDXLMKFKDI-KRWDZBQOSA-N 0 3 324.852 2.381 20 10 DECDHN C[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C[C@H]1O ZINC001237053021 1138491581 /nfs/dbraw/zinc/49/15/81/1138491581.db2.gz GXJYCKAECJBDEM-TVQRCGJNSA-N 0 3 305.296 2.146 20 10 DECDHN C[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C[C@H]1O ZINC001237053021 1138491588 /nfs/dbraw/zinc/49/15/88/1138491588.db2.gz GXJYCKAECJBDEM-TVQRCGJNSA-N 0 3 305.296 2.146 20 10 DECDHN CN(CCC1CC1)Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237209586 1138533128 /nfs/dbraw/zinc/53/31/28/1138533128.db2.gz ITJJKEUVAFBUHM-UHFFFAOYSA-N 0 3 322.474 2.153 20 10 DECDHN Cc1cccc([O-])c1C[NH+]1CCC(NC(=O)N2CCCC2)CC1 ZINC001237495759 1138657216 /nfs/dbraw/zinc/65/72/16/1138657216.db2.gz VIHRYFZHNABMSQ-UHFFFAOYSA-N 0 3 317.433 2.470 20 10 DECDHN CN1CCN(c2ccc3[nH]c(-c4ccc(O)c(O)c4)nc3c2)CC1 ZINC001250464811 1142213839 /nfs/dbraw/zinc/21/38/39/1142213839.db2.gz MVXUYTYCSNVLLY-UHFFFAOYSA-N 0 3 324.384 2.393 20 10 DECDHN [O-]c1ccccc1C[NH2+]C[C@@H](O)COc1ccc(F)cc1F ZINC001250873066 1142341755 /nfs/dbraw/zinc/34/17/55/1142341755.db2.gz USWUWGSRDZKMFP-CYBMUJFWSA-N 0 3 309.312 2.200 20 10 DECDHN COc1ccc(CN[C@H](CO)c2ccc(F)cc2)c(O)c1OC ZINC001336797582 1142574769 /nfs/dbraw/zinc/57/47/69/1142574769.db2.gz NDEQLPAHJUWDCP-CQSZACIVSA-N 0 3 321.348 2.372 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)c([O-])c1 ZINC001337026975 1142663826 /nfs/dbraw/zinc/66/38/26/1142663826.db2.gz ZWVJSPLCFYNKRU-AWEZNQCLSA-N 0 3 318.417 2.282 20 10 DECDHN CCOc1ccc(C[N@H+]2CCC[C@H](C(=O)NC3CC3)C2)c([O-])c1 ZINC001337026975 1142663837 /nfs/dbraw/zinc/66/38/37/1142663837.db2.gz ZWVJSPLCFYNKRU-AWEZNQCLSA-N 0 3 318.417 2.282 20 10 DECDHN COc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC001252734277 1142812898 /nfs/dbraw/zinc/81/28/98/1142812898.db2.gz VMDKASZTHIPMNI-UONOGXRCSA-N 0 3 317.385 2.491 20 10 DECDHN COCCOc1ccc(N2CCN([C@@H]3CCSC3)CC2)cc1 ZINC001255291984 1143548668 /nfs/dbraw/zinc/54/86/68/1143548668.db2.gz CIFLACSWMQCPLY-MRXNPFEDSA-N 0 3 322.474 2.339 20 10 DECDHN COc1ccc(N2CCC(NCc3nccn3C)CC2)cc1 ZINC001308239402 1147457869 /nfs/dbraw/zinc/45/78/69/1147457869.db2.gz LIZDSXSNBNHPAT-UHFFFAOYSA-N 0 3 300.406 2.187 20 10 DECDHN CCOCc1cc(CN[C@H]2CC(=O)N(C3CC3)C2)ccc1OC ZINC001308303920 1147465658 /nfs/dbraw/zinc/46/56/58/1147465658.db2.gz RZMDHUMJISKLIY-HNNXBMFYSA-N 0 3 318.417 2.085 20 10 DECDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C(=O)NCC(F)(F)F ZINC001326624169 1148167711 /nfs/dbraw/zinc/16/77/11/1148167711.db2.gz YMQWRFLPZLYJRT-WCBMZHEXSA-N 0 3 302.296 2.036 20 10 DECDHN CN(Cc1cccs1)c1ccc(CNCCOCCO)cc1 ZINC000294745130 530009816 /nfs/dbraw/zinc/00/98/16/530009816.db2.gz KDQWNTHSEAIWJK-UHFFFAOYSA-N 0 3 320.458 2.483 20 10 DECDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)c1 ZINC000092011946 193141968 /nfs/dbraw/zinc/14/19/68/193141968.db2.gz BURTUXDBSWBGKU-PBHICJAKSA-N 0 3 315.417 2.380 20 10 DECDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)c1 ZINC000092011946 193141970 /nfs/dbraw/zinc/14/19/70/193141970.db2.gz BURTUXDBSWBGKU-PBHICJAKSA-N 0 3 315.417 2.380 20 10 DECDHN COc1cccc(CN2CCN(C3CCOCC3)C[C@H]2C)c1O ZINC000369487076 533481416 /nfs/dbraw/zinc/48/14/16/533481416.db2.gz ZFPAZJJAWKCOAE-CQSZACIVSA-N 0 3 320.433 2.086 20 10 DECDHN CCOc1cccc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c1[O-] ZINC000289224629 131367162 /nfs/dbraw/zinc/36/71/62/131367162.db2.gz CSJPAKMEABKPIC-HOCLYGCPSA-N 0 3 320.433 2.086 20 10 DECDHN CCOc1cccc(C[N@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c1[O-] ZINC000289224629 131367163 /nfs/dbraw/zinc/36/71/63/131367163.db2.gz CSJPAKMEABKPIC-HOCLYGCPSA-N 0 3 320.433 2.086 20 10 DECDHN CC[C@H](NCc1ccc(N2CCOCC2)cc1)c1cnn(C)c1 ZINC000151056903 402013850 /nfs/dbraw/zinc/01/38/50/402013850.db2.gz FNBDBCUSOPGXBR-SFHVURJKSA-N 0 3 314.433 2.498 20 10 DECDHN COc1cccc(CN2CC[C@@H](Oc3cccnc3)C2)c1O ZINC000093691453 402019701 /nfs/dbraw/zinc/01/97/01/402019701.db2.gz CNTZYHHAMGOGJT-OAHLLOKOSA-N 0 3 300.358 2.449 20 10 DECDHN COC(=O)CC1([NH2+]Cc2cc(C)c(C)cc2[O-])CCOCC1 ZINC000152511116 402099033 /nfs/dbraw/zinc/09/90/33/402099033.db2.gz UEIYUFPLZIJNAN-UHFFFAOYSA-N 0 3 307.390 2.211 20 10 DECDHN CCN1CCN([C@@H]2CC[N@H+](Cc3cc(C)c(C)cc3[O-])C2)CC1 ZINC000106854860 402218015 /nfs/dbraw/zinc/21/80/15/402218015.db2.gz XSDWQXXZHNHDHS-GOSISDBHSA-N 0 3 317.477 2.221 20 10 DECDHN CCN1CCN([C@@H]2CC[N@@H+](Cc3cc(C)c(C)cc3[O-])C2)CC1 ZINC000106854860 402218016 /nfs/dbraw/zinc/21/80/16/402218016.db2.gz XSDWQXXZHNHDHS-GOSISDBHSA-N 0 3 317.477 2.221 20 10 DECDHN Cc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CCN(C)CC2)c([O-])c1 ZINC000185344343 402345196 /nfs/dbraw/zinc/34/51/96/402345196.db2.gz JMIOIRSELWLWBP-HOTGVXAUSA-N 0 3 305.466 2.235 20 10 DECDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)CN2CCN(C)CC2)c1 ZINC000185343782 402345396 /nfs/dbraw/zinc/34/53/96/402345396.db2.gz MFQBAEASVFBYTR-HOTGVXAUSA-N 0 3 305.466 2.235 20 10 DECDHN CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000185345822 402346057 /nfs/dbraw/zinc/34/60/57/402346057.db2.gz ODZIPFYXBRSKAE-GJZGRUSLSA-N 0 3 323.456 2.456 20 10 DECDHN CC(C)[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])N1CCN(C)CC1 ZINC000176986423 402356913 /nfs/dbraw/zinc/35/69/13/402356913.db2.gz LUAKQSJGNDICGL-RHSMWYFYSA-N 0 3 323.456 2.454 20 10 DECDHN C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1cc(F)ccc1[O-] ZINC000186022242 402397176 /nfs/dbraw/zinc/39/71/76/402397176.db2.gz BERGZWDABHIXQJ-KCJUWKMLSA-N 0 3 320.286 2.345 20 10 DECDHN CCCOc1ccc(C[N@@H+]2CCC[C@H](OCCO)C2)c([O-])c1 ZINC000179578050 402595199 /nfs/dbraw/zinc/59/51/99/402595199.db2.gz HJZNMGYZHJXVKP-INIZCTEOSA-N 0 3 309.406 2.154 20 10 DECDHN CCCOc1ccc(C[N@H+]2CCC[C@H](OCCO)C2)c([O-])c1 ZINC000179578050 402595201 /nfs/dbraw/zinc/59/52/01/402595201.db2.gz HJZNMGYZHJXVKP-INIZCTEOSA-N 0 3 309.406 2.154 20 10 DECDHN Cn1ccnc1[C@H](O)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179576072 402595379 /nfs/dbraw/zinc/59/53/79/402595379.db2.gz LYTGOCYSGWQRCK-MRXNPFEDSA-N 0 3 301.390 2.071 20 10 DECDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)cc1C ZINC000173375620 402695094 /nfs/dbraw/zinc/69/50/94/402695094.db2.gz OLCNAKWXPFMHAT-QGZVFWFLSA-N 0 3 304.434 2.306 20 10 DECDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]2CN2CCOCC2)cc1C ZINC000173375620 402695097 /nfs/dbraw/zinc/69/50/97/402695097.db2.gz OLCNAKWXPFMHAT-QGZVFWFLSA-N 0 3 304.434 2.306 20 10 DECDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CCN(C)CC2)c([O-])c1 ZINC000185344307 292246956 /nfs/dbraw/zinc/24/69/56/292246956.db2.gz JMIOIRSELWLWBP-CVEARBPZSA-N 0 3 305.466 2.235 20 10 DECDHN C[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccccc1[O-] ZINC000183448149 402768743 /nfs/dbraw/zinc/76/87/43/402768743.db2.gz OGBKDVIVOINDKK-YOEHRIQHSA-N 0 3 322.474 2.251 20 10 DECDHN C[C@@H](NCC(=O)NCC(F)F)c1cc2c(cc1O)CCCC2 ZINC000280934670 403051329 /nfs/dbraw/zinc/05/13/29/403051329.db2.gz RZFIPIAJAUZPND-SNVBAGLBSA-N 0 3 312.360 2.303 20 10 DECDHN COc1c([O-])c(CN(C)CCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000281232517 403061421 /nfs/dbraw/zinc/06/14/21/403061421.db2.gz LDIFORVWRINTSG-UHFFFAOYSA-N 0 3 323.393 2.227 20 10 DECDHN COc1c([O-])c(C[N@H+](C)CCCN2CCCC2)ccc1[N+](=O)[O-] ZINC000281232517 403061423 /nfs/dbraw/zinc/06/14/23/403061423.db2.gz LDIFORVWRINTSG-UHFFFAOYSA-N 0 3 323.393 2.227 20 10 DECDHN COc1c([O-])c(C[N@@H+](C)CCCN2CCCC2)ccc1[N+](=O)[O-] ZINC000281232517 403061424 /nfs/dbraw/zinc/06/14/24/403061424.db2.gz LDIFORVWRINTSG-UHFFFAOYSA-N 0 3 323.393 2.227 20 10 DECDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])[C@H]1OC ZINC000274944663 403097770 /nfs/dbraw/zinc/09/77/70/403097770.db2.gz RCDDPXCZXNSAOU-NJZAAPMLSA-N 0 3 315.797 2.336 20 10 DECDHN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCCCN1C1CC1 ZINC000277482176 403222127 /nfs/dbraw/zinc/22/21/27/403222127.db2.gz IVSJZUFSAMCZDS-BOSPYUDASA-N 0 3 316.401 2.244 20 10 DECDHN COc1ccc(N2CCN(CCn3ccnc3C)CC2)cc1 ZINC000270875105 403234368 /nfs/dbraw/zinc/23/43/68/403234368.db2.gz UXRGCMYLYFYCQH-UHFFFAOYSA-N 0 3 300.406 2.022 20 10 DECDHN CCOc1ccc([O-])c(C[NH2+]CCCN2CCCO[C@@H](C)C2)c1 ZINC000278039794 403281768 /nfs/dbraw/zinc/28/17/68/403281768.db2.gz XLNPQTRXQNGMEO-HNNXBMFYSA-N 0 3 322.449 2.381 20 10 DECDHN Cc1cc(CN2CCN(C[C@@H]3CCOC3)CC2)ccc1N(C)C ZINC000292763171 403377591 /nfs/dbraw/zinc/37/75/91/403377591.db2.gz JALCBJNDBKYHNB-SFHVURJKSA-N 0 3 317.477 2.215 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](O)C23CCCC3)cc1OC ZINC000294073944 403641064 /nfs/dbraw/zinc/64/10/64/403641064.db2.gz YQFJLFDOJJWSBF-INIZCTEOSA-N 0 3 307.390 2.289 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CC[C@H](O)C23CCCC3)cc1OC ZINC000294073944 403641068 /nfs/dbraw/zinc/64/10/68/403641068.db2.gz YQFJLFDOJJWSBF-INIZCTEOSA-N 0 3 307.390 2.289 20 10 DECDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H](CO)C[C@@H](O)c1ccccc1)CC2 ZINC000296862102 404347064 /nfs/dbraw/zinc/34/70/64/404347064.db2.gz NPNRKHBEIBZPCC-XYJFISCASA-N 0 3 313.397 2.454 20 10 DECDHN COc1ccc(O)c(CN2CCC[C@@H](N3CCCCC3=O)C2)c1 ZINC000364069002 404306278 /nfs/dbraw/zinc/30/62/78/404306278.db2.gz FKMUCTQTAUACIQ-OAHLLOKOSA-N 0 3 318.417 2.378 20 10 DECDHN CCOc1cccc(CN2CCC(F)(F)[C@H](CO)C2)c1O ZINC000291182653 404376331 /nfs/dbraw/zinc/37/63/31/404376331.db2.gz FTRPBTKFIYSQEY-LBPRGKRZSA-N 0 3 301.333 2.240 20 10 DECDHN CN(C)C[C@H]1CN(C(=O)/C=C/c2cccnc2)c2ccccc2O1 ZINC000370505776 404394476 /nfs/dbraw/zinc/39/44/76/404394476.db2.gz YJJDHXNIIDIMTJ-SCOAYWHSSA-N 0 3 323.396 2.451 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1OC ZINC000371361175 227070739 /nfs/dbraw/zinc/07/07/39/227070739.db2.gz OCESQPOPFMSNNQ-CHWSQXEVSA-N 0 3 307.390 2.268 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1OC ZINC000371361175 227070742 /nfs/dbraw/zinc/07/07/42/227070742.db2.gz OCESQPOPFMSNNQ-CHWSQXEVSA-N 0 3 307.390 2.268 20 10 DECDHN C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1cc(F)ccc1[O-] ZINC000374900200 227141519 /nfs/dbraw/zinc/14/15/19/227141519.db2.gz URKXKCGUFATGLA-BFYDXBDKSA-N 0 3 308.397 2.215 20 10 DECDHN CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cc(OC)ccc1[O-])CC2 ZINC000180411271 520441344 /nfs/dbraw/zinc/44/13/44/520441344.db2.gz UEZDZKQQWOFPTH-DLBZAZTESA-N 0 3 321.417 2.153 20 10 DECDHN COc1ccc([O-])c(C[NH2+][C@@H](CO)Cc2cccc(C)c2)c1 ZINC000191684143 524754030 /nfs/dbraw/zinc/75/40/30/524754030.db2.gz CWYCFOKPXJRLIO-MRXNPFEDSA-N 0 3 301.386 2.402 20 10 DECDHN C[C@@H](N[C@@H]1C[C@H](O)C1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000187677743 525653172 /nfs/dbraw/zinc/65/31/72/525653172.db2.gz PYRYEFXLAQBHRA-JLZZUVOBSA-N 0 3 322.424 2.472 20 10 DECDHN CCOCCN1CCN(Cc2cc3c(cc2O)CCCC3)CC1 ZINC000160171282 622569791 /nfs/dbraw/zinc/56/97/91/622569791.db2.gz LJNVHMBQPNOHRF-UHFFFAOYSA-N 0 3 318.461 2.425 20 10 DECDHN Cc1nocc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891245788 623790322 /nfs/dbraw/zinc/79/03/22/623790322.db2.gz JDLDKFAGNMXEOU-MRXNPFEDSA-N 0 3 316.405 2.082 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccsn2)N(C)C)cc1 ZINC000891247394 623791947 /nfs/dbraw/zinc/79/19/47/623791947.db2.gz JUFMBRBJZQGZOF-OAHLLOKOSA-N 0 3 318.446 2.242 20 10 DECDHN COC[C@@H](C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891253040 623798100 /nfs/dbraw/zinc/79/81/00/623798100.db2.gz PLNCQWUDGJJXNC-WMLDXEAASA-N 0 3 321.465 2.144 20 10 DECDHN Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000893052822 625080281 /nfs/dbraw/zinc/08/02/81/625080281.db2.gz HVEQVMMLKJPBKD-QGZVFWFLSA-N 0 3 318.465 2.297 20 10 DECDHN COc1cccc(CNCC(=O)Nc2ccc(F)c(F)c2)c1O ZINC000725841554 625858651 /nfs/dbraw/zinc/85/86/51/625858651.db2.gz HDCUBLBGUSOCSP-UHFFFAOYSA-N 0 3 322.311 2.407 20 10 DECDHN C[NH+](C)CC1CCC(NC(=O)NCc2c([O-])cccc2F)CC1 ZINC000921587822 633737363 /nfs/dbraw/zinc/73/73/63/633737363.db2.gz NYTRIZBHCNLSAV-UHFFFAOYSA-N 0 3 323.412 2.451 20 10 DECDHN CC(C)(C)OC(=O)[C@](C)(O)CNCc1ccc2c(c1)CCCO2 ZINC000893609627 635036865 /nfs/dbraw/zinc/03/68/65/635036865.db2.gz UFZOGAWUJWQMCT-GOSISDBHSA-N 0 3 321.417 2.194 20 10 DECDHN Cc1cc(N(C)C)ccc1CN1CCC[C@H](NC(=O)N(C)C)C1 ZINC000840952171 635423138 /nfs/dbraw/zinc/42/31/38/635423138.db2.gz UGIUHZPSTQXTDT-INIZCTEOSA-N 0 3 318.465 2.297 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)NC2CC=CC2)N(C)C)cc1 ZINC000893661173 635739383 /nfs/dbraw/zinc/73/93/83/635739383.db2.gz JCIZRSQJMYNDLY-QGZVFWFLSA-N 0 3 316.449 2.373 20 10 DECDHN C[C@H](NCc1ccc2c(c1)CCCO2)C1(S(C)(=O)=O)CC1 ZINC000922121973 635880476 /nfs/dbraw/zinc/88/04/76/635880476.db2.gz JPIJWDPDHGTSDW-LBPRGKRZSA-N 0 3 309.431 2.067 20 10 DECDHN Nc1ccc(CC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000261552938 635890460 /nfs/dbraw/zinc/89/04/60/635890460.db2.gz SBUZSMAADWUXBL-GOSISDBHSA-N 0 3 309.413 2.202 20 10 DECDHN NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCN(CCCF)C2)cc1 ZINC001016380606 635928292 /nfs/dbraw/zinc/92/82/92/635928292.db2.gz FDGDGVAEQRPXOP-ZDUSSCGKSA-N 0 3 321.356 2.013 20 10 DECDHN CNC(=O)NC1CC[NH+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000840975448 635996186 /nfs/dbraw/zinc/99/61/86/635996186.db2.gz YHKOMQMOSUCAFC-UHFFFAOYSA-N 0 3 311.813 2.247 20 10 DECDHN CNC(=O)NC1CCN(Cc2cc(Cl)cc(C)c2O)CC1 ZINC000840975448 635996188 /nfs/dbraw/zinc/99/61/88/635996188.db2.gz YHKOMQMOSUCAFC-UHFFFAOYSA-N 0 3 311.813 2.247 20 10 DECDHN CCOc1ccc(C[NH2+][C@@H]2CCCN3CCSC[C@@H]23)c([O-])c1 ZINC000922524472 636217392 /nfs/dbraw/zinc/21/73/92/636217392.db2.gz KXTBVUSWWVBHBJ-CVEARBPZSA-N 0 3 322.474 2.460 20 10 DECDHN O=C(NCc1c([O-])cccc1F)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000923128974 636984379 /nfs/dbraw/zinc/98/43/79/636984379.db2.gz OTFQUWPWUAFSQW-CABCVRRESA-N 0 3 321.396 2.347 20 10 DECDHN O=C(NCc1c([O-])cccc1F)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000923128974 636984383 /nfs/dbraw/zinc/98/43/83/636984383.db2.gz OTFQUWPWUAFSQW-CABCVRRESA-N 0 3 321.396 2.347 20 10 DECDHN COc1cc(C)cc(CN[C@@H](C)C(=O)NCc2ccco2)c1O ZINC000894394504 636994116 /nfs/dbraw/zinc/99/41/16/636994116.db2.gz SOZCGQJWAYOKKV-LBPRGKRZSA-N 0 3 318.373 2.097 20 10 DECDHN COC(=O)c1c(CN[C@@H]2CO[C@H](C)C2)c2cc(F)ccc2n1C ZINC000895083718 637527079 /nfs/dbraw/zinc/52/70/79/637527079.db2.gz LVBVUFCYCCWFFF-PWSUYJOCSA-N 0 3 320.364 2.371 20 10 DECDHN COc1cc(CN[C@H]2C(=O)NCC2(C)C)c(O)c(C(C)(C)C)c1 ZINC000895320677 637925484 /nfs/dbraw/zinc/92/54/84/637925484.db2.gz IHJMJLZXADHPNM-HNNXBMFYSA-N 0 3 320.433 2.313 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@H](CO)C[C@H]2CCCO2)c1[O-] ZINC000895750246 638179454 /nfs/dbraw/zinc/17/94/54/638179454.db2.gz YIYMKCQTKDTFGR-QWHCGFSZSA-N 0 3 315.797 2.074 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]CC[C@@H]2CC(=O)N(C)C2)c1[O-] ZINC000896308728 638460056 /nfs/dbraw/zinc/46/00/56/638460056.db2.gz IGFVTAGPPHEWBW-SNVBAGLBSA-N 0 3 312.797 2.012 20 10 DECDHN C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)[C@H]1CN(C)CCO1 ZINC000756760210 639692949 /nfs/dbraw/zinc/69/29/49/639692949.db2.gz POECNJYJTNSHSA-REJLFOLJSA-N 0 3 308.397 2.388 20 10 DECDHN C[C@H]1NCCN(C(=O)NCc2ccc(N3CCCC3)cc2)[C@@H]1C ZINC000841710480 650546944 /nfs/dbraw/zinc/54/69/44/650546944.db2.gz WNBIFTHDQJIBPT-HUUCEWRRSA-N 0 3 316.449 2.179 20 10 DECDHN Oc1cc2c(cc1CNCc1cnn(CC3CCC3)c1)OCO2 ZINC000897432027 640219429 /nfs/dbraw/zinc/21/94/29/640219429.db2.gz CMWXQOVHUUDBIC-UHFFFAOYSA-N 0 3 315.373 2.407 20 10 DECDHN CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000761215497 640285800 /nfs/dbraw/zinc/28/58/00/640285800.db2.gz MESUKSPFJYXDQN-RYUDHWBXSA-N 0 3 312.797 2.059 20 10 DECDHN COc1ccc(O)c([C@@H](C)NC(=O)CN2[C@H](C)CC[C@@H]2C)c1 ZINC000761973505 640368010 /nfs/dbraw/zinc/36/80/10/640368010.db2.gz QWOXMEWJYGQOMX-FRRDWIJNSA-N 0 3 306.406 2.451 20 10 DECDHN COc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)c1[O-] ZINC000897623546 640873382 /nfs/dbraw/zinc/87/33/82/640873382.db2.gz FIFFQHXUWPGUJN-ZBEGNZNMSA-N 0 3 324.808 2.142 20 10 DECDHN COc1cc(Cl)cc(C[N@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)c1[O-] ZINC000897623546 640873386 /nfs/dbraw/zinc/87/33/86/640873386.db2.gz FIFFQHXUWPGUJN-ZBEGNZNMSA-N 0 3 324.808 2.142 20 10 DECDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CC23CC(O)C3)c1[O-] ZINC000897847987 640952528 /nfs/dbraw/zinc/95/25/28/640952528.db2.gz FTIAEDJUKMEVTI-MBHSVXNSSA-N 0 3 312.207 2.466 20 10 DECDHN CCOc1ccc(C[NH+]2CCC(c3nncn3C)CC2)c([O-])c1 ZINC000768765307 641121161 /nfs/dbraw/zinc/12/11/61/641121161.db2.gz CYGYFTQSMIKPQR-UHFFFAOYSA-N 0 3 316.405 2.299 20 10 DECDHN COc1cccc([O-])c1C[NH+]1CCC(c2nc(C)no2)CC1 ZINC000768788033 641124151 /nfs/dbraw/zinc/12/41/51/641124151.db2.gz HWTLZVCAOQKXQQ-UHFFFAOYSA-N 0 3 303.362 2.472 20 10 DECDHN COc1cccc(O)c1CN1CCC(c2nc(C)no2)CC1 ZINC000768788033 641124156 /nfs/dbraw/zinc/12/41/56/641124156.db2.gz HWTLZVCAOQKXQQ-UHFFFAOYSA-N 0 3 303.362 2.472 20 10 DECDHN COC(=O)C[C@]1(NCc2ccc(OC)c(C)c2)CCCOC1 ZINC000770677999 641406535 /nfs/dbraw/zinc/40/65/35/641406535.db2.gz XPVLHFGUIHPPNN-QGZVFWFLSA-N 0 3 307.390 2.206 20 10 DECDHN CCN(C)c1ccc(CN2CCC[C@H](N3CCNC3=O)C2)cc1 ZINC000773753843 641819726 /nfs/dbraw/zinc/81/97/26/641819726.db2.gz BICCBNVYUUQKNK-KRWDZBQOSA-N 0 3 316.449 2.132 20 10 DECDHN CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCc1c([O-])cccc1F ZINC000898990390 641885772 /nfs/dbraw/zinc/88/57/72/641885772.db2.gz CHLBHUUAWRYNOD-LBPRGKRZSA-N 0 3 311.401 2.307 20 10 DECDHN C[C@@H](NCC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000775833801 642102896 /nfs/dbraw/zinc/10/28/96/642102896.db2.gz MTXWUNDJHRVZDZ-QLFBSQMISA-N 0 3 319.449 2.039 20 10 DECDHN COC(=O)c1ccc([O-])c([C@H](C)NC[C@H]2CCCCC[NH2+]2)c1 ZINC000902482106 643057078 /nfs/dbraw/zinc/05/70/78/643057078.db2.gz JFNCQIAJKAWRSL-GXTWGEPZSA-N 0 3 306.406 2.362 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCOC[C@H](C3CCC3)C1)[C@H](O)CO2 ZINC000793740930 644294264 /nfs/dbraw/zinc/29/42/64/644294264.db2.gz GYZIYHVQCBKOOU-RHSMWYFYSA-N 0 3 319.401 2.067 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCOC[C@H](C3CCC3)C1)[C@H](O)CO2 ZINC000793740930 644294267 /nfs/dbraw/zinc/29/42/67/644294267.db2.gz GYZIYHVQCBKOOU-RHSMWYFYSA-N 0 3 319.401 2.067 20 10 DECDHN CC[C@H]1CN(Cc2cc(OC)c(C)cc2O)C[C@@]2(CCOC2)O1 ZINC000794693707 644461365 /nfs/dbraw/zinc/46/13/65/644461365.db2.gz KIHOYQAFPZXMMG-MAUKXSAKSA-N 0 3 321.417 2.479 20 10 DECDHN Cc1ccc(C(=O)N2CCN(C)C3(CCCCC3)C2)c(O)c1O ZINC000908573931 644915599 /nfs/dbraw/zinc/91/55/99/644915599.db2.gz WNBBWCIGUAZMQM-UHFFFAOYSA-N 0 3 318.417 2.497 20 10 DECDHN CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cc(C)ccc3[O-])[C@@H]2C1 ZINC000808445805 646085426 /nfs/dbraw/zinc/08/54/26/646085426.db2.gz ZXWCKXDRMJMCTI-UAGQMJEPSA-N 0 3 302.418 2.437 20 10 DECDHN CO[C@@H]1C[C@@H]([N@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)C12CCC2 ZINC000840140273 646092423 /nfs/dbraw/zinc/09/24/23/646092423.db2.gz MUXJMGZYSLTFFH-USXIJHARSA-N 0 3 319.401 2.207 20 10 DECDHN CO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)C12CCC2 ZINC000840140273 646092426 /nfs/dbraw/zinc/09/24/26/646092426.db2.gz MUXJMGZYSLTFFH-USXIJHARSA-N 0 3 319.401 2.207 20 10 DECDHN CO[C@@H]1C[C@H]([N@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)C12CCC2 ZINC000840140267 646092624 /nfs/dbraw/zinc/09/26/24/646092624.db2.gz MUXJMGZYSLTFFH-BHYGNILZSA-N 0 3 319.401 2.207 20 10 DECDHN CO[C@@H]1C[C@H]([N@@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)C12CCC2 ZINC000840140267 646092630 /nfs/dbraw/zinc/09/26/30/646092630.db2.gz MUXJMGZYSLTFFH-BHYGNILZSA-N 0 3 319.401 2.207 20 10 DECDHN CCOCCN1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815035219 646958531 /nfs/dbraw/zinc/95/85/31/646958531.db2.gz DSFVKSCPTALCJC-UHFFFAOYSA-N 0 3 305.466 2.215 20 10 DECDHN C[C@H](NCC1C[NH2+]C1)c1cc(Br)c(F)cc1[O-] ZINC000817964971 647395615 /nfs/dbraw/zinc/39/56/15/647395615.db2.gz LKINGQPVTMRIMP-ZETCQYMHSA-N 0 3 303.175 2.164 20 10 DECDHN CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000917899653 648039163 /nfs/dbraw/zinc/03/91/63/648039163.db2.gz WIBJFGZMXBXQMD-GFCCVEGCSA-N 0 3 309.385 2.205 20 10 DECDHN CC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000917899653 648039166 /nfs/dbraw/zinc/03/91/66/648039166.db2.gz WIBJFGZMXBXQMD-GFCCVEGCSA-N 0 3 309.385 2.205 20 10 DECDHN CC[C@H](C)N(C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000068450226 648466138 /nfs/dbraw/zinc/46/61/38/648466138.db2.gz QAJMQQXGYKWQMF-HNNXBMFYSA-N 0 3 319.449 2.074 20 10 DECDHN CCN(CC)c1ccc(CN(C)C(=O)C(N)C(F)(F)F)cc1 ZINC000826019700 648839133 /nfs/dbraw/zinc/83/91/33/648839133.db2.gz KEWYPKHWDYAXRL-CYBMUJFWSA-N 0 3 317.355 2.381 20 10 DECDHN COCCOC[C@@H](O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000827813098 649089583 /nfs/dbraw/zinc/08/95/83/649089583.db2.gz KTHALZJGRIBKET-KRWDZBQOSA-N 0 3 323.433 2.161 20 10 DECDHN COCCOC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000827813098 649089588 /nfs/dbraw/zinc/08/95/88/649089588.db2.gz KTHALZJGRIBKET-KRWDZBQOSA-N 0 3 323.433 2.161 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@]3(CC3(F)F)C1)[C@@H](O)CO2 ZINC000844751848 651165291 /nfs/dbraw/zinc/16/52/91/651165291.db2.gz WBQYRYQFIXRGNO-ZFWWWQNUSA-N 0 3 311.328 2.439 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@]3(CC3(F)F)C1)[C@@H](O)CO2 ZINC000844751848 651165293 /nfs/dbraw/zinc/16/52/93/651165293.db2.gz WBQYRYQFIXRGNO-ZFWWWQNUSA-N 0 3 311.328 2.439 20 10 DECDHN COc1ccc(O)c([C@H](C)NCc2cnc(N(C)C)n2C)c1 ZINC000845972266 651298574 /nfs/dbraw/zinc/29/85/74/651298574.db2.gz QDDZLHBPMSUPEG-NSHDSACASA-N 0 3 304.394 2.051 20 10 DECDHN COCCCn1nccc1CN[C@@H](C)c1cc(OC)ccc1O ZINC000845972699 651298600 /nfs/dbraw/zinc/29/86/00/651298600.db2.gz SSSXJAQBZFQHFL-ZDUSSCGKSA-N 0 3 319.405 2.485 20 10 DECDHN COc1ccc(O)c([C@@H](C)NCc2cnc(N(C)C)nc2)c1 ZINC000845972358 651298704 /nfs/dbraw/zinc/29/87/04/651298704.db2.gz NNGBZRMKPXCHPW-LLVKDONJSA-N 0 3 302.378 2.108 20 10 DECDHN CCOc1ccc(C[NH+]2CCC(Cn3cnnc3)CC2)c([O-])c1 ZINC000846055131 651304792 /nfs/dbraw/zinc/30/47/92/651304792.db2.gz GMMSUTGDPADUQM-UHFFFAOYSA-N 0 3 316.405 2.295 20 10 DECDHN CC1(C)C(=O)N[C@@H]1C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000848921771 651562539 /nfs/dbraw/zinc/56/25/39/651562539.db2.gz WRWIOJAQAHWWNF-OAHLLOKOSA-N 0 3 306.381 2.268 20 10 DECDHN COc1cccc([O-])c1C[NH2+]CC(C)(C)[C@]1(O)CCCOC1 ZINC000850401295 651921998 /nfs/dbraw/zinc/92/19/98/651921998.db2.gz WWUIVMDPDNLHIA-KRWDZBQOSA-N 0 3 309.406 2.058 20 10 DECDHN COc1cccc([O-])c1C[NH2+]CC1(CC(N)=O)CCCCC1 ZINC000850412914 651923645 /nfs/dbraw/zinc/92/36/45/651923645.db2.gz LKLVSJUGFBBFIS-UHFFFAOYSA-N 0 3 306.406 2.316 20 10 DECDHN COCCOC[C@@H](C)NCc1cc(F)c(N(C)C)cc1F ZINC000858145873 652264857 /nfs/dbraw/zinc/26/48/57/652264857.db2.gz IFUZWELMVGSORU-LLVKDONJSA-N 0 3 302.365 2.172 20 10 DECDHN Cc1ccc(O)c(CNCc2cnc(C3OCCO3)s2)c1 ZINC000858239376 652287309 /nfs/dbraw/zinc/28/73/09/652287309.db2.gz MULZAGLNQAPLHX-UHFFFAOYSA-N 0 3 306.387 2.492 20 10 DECDHN COc1ccc2c(c1)C[C@H](C(C)C)CN2C[C@H]1CNCCO1 ZINC000852751876 652449398 /nfs/dbraw/zinc/44/93/98/652449398.db2.gz JHTRKKONRQNTBY-DOTOQJQBSA-N 0 3 304.434 2.318 20 10 DECDHN COc1ccc(O)c([C@@H](C)NC(=O)C2(N)CC3(CCC3)C2)c1 ZINC000852885805 652475268 /nfs/dbraw/zinc/47/52/68/652475268.db2.gz URNLNWMQKUZPFP-LLVKDONJSA-N 0 3 304.390 2.240 20 10 DECDHN CC(C)CCO[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000853635462 652582322 /nfs/dbraw/zinc/58/23/22/652582322.db2.gz QDJRRKQLNYTZTL-RHSMWYFYSA-N 0 3 321.417 2.455 20 10 DECDHN CC(C)CCO[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000853635462 652582324 /nfs/dbraw/zinc/58/23/24/652582324.db2.gz QDJRRKQLNYTZTL-RHSMWYFYSA-N 0 3 321.417 2.455 20 10 DECDHN C[NH+](C)CC[C@H](NC(=O)c1cc([O-])cs1)c1cccnc1 ZINC000928831563 693852241 /nfs/dbraw/zinc/85/22/41/693852241.db2.gz ORMGPXWXVYSAKV-ZDUSSCGKSA-N 0 3 305.403 2.272 20 10 DECDHN CN(C)CC[C@H](NC(=O)C1=CC(=O)CS1)c1cccnc1 ZINC000928831563 693852242 /nfs/dbraw/zinc/85/22/42/693852242.db2.gz ORMGPXWXVYSAKV-ZDUSSCGKSA-N 0 3 305.403 2.272 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@H+](C)[C@H]3C[C@@H](C(N)=O)C3)c2c1 ZINC000863321776 686476713 /nfs/dbraw/zinc/47/67/13/686476713.db2.gz BXSAQXWPOXHKOW-BETUJISGSA-N 0 3 314.385 2.250 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@@H+](C)[C@H]3C[C@@H](C(N)=O)C3)c2c1 ZINC000863321776 686476718 /nfs/dbraw/zinc/47/67/18/686476718.db2.gz BXSAQXWPOXHKOW-BETUJISGSA-N 0 3 314.385 2.250 20 10 DECDHN COc1cc(Br)cc(C[NH2+][C@H]2C[C@@H](CO)C2)c1[O-] ZINC000865663538 687294380 /nfs/dbraw/zinc/29/43/80/687294380.db2.gz ZPXFGLOGQBVPRW-DKTWLAJQSA-N 0 3 316.195 2.024 20 10 DECDHN C[C@H](N[C@@H]1COC[C@@H]1O)c1ccc(N2CCCCCC2)cc1 ZINC000866418137 687566836 /nfs/dbraw/zinc/56/68/36/687566836.db2.gz FEHLFLHUPDFYAH-QGTPRVQTSA-N 0 3 304.434 2.477 20 10 DECDHN C[C@H](NC(=O)Nc1cnc2c(c1)CNCC2)c1ccccc1O ZINC000868167512 687933117 /nfs/dbraw/zinc/93/31/17/687933117.db2.gz OGYLCHKYBXUBNU-NSHDSACASA-N 0 3 312.373 2.316 20 10 DECDHN COc1cc(C)cc(CN(C)[C@H]2CCCCN(C)C2=O)c1O ZINC000872673589 689062476 /nfs/dbraw/zinc/06/24/76/689062476.db2.gz OAJBMSIMPYBQSV-AWEZNQCLSA-N 0 3 306.406 2.152 20 10 DECDHN Cc1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c([O-])c1 ZINC000876685087 689902190 /nfs/dbraw/zinc/90/21/90/689902190.db2.gz XONVVJZTBPRRRN-QGZVFWFLSA-N 0 3 304.434 2.387 20 10 DECDHN Cc1ccc(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)c([O-])c1 ZINC000876685087 689902192 /nfs/dbraw/zinc/90/21/92/689902192.db2.gz XONVVJZTBPRRRN-QGZVFWFLSA-N 0 3 304.434 2.387 20 10 DECDHN CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccc(C)cc1[O-])CC2 ZINC000876763268 689929519 /nfs/dbraw/zinc/92/95/19/689929519.db2.gz JROQLXBPGPVDMM-DLBZAZTESA-N 0 3 305.418 2.453 20 10 DECDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](O)COc1cccc(F)c1 ZINC000876966315 689984705 /nfs/dbraw/zinc/98/47/05/689984705.db2.gz POATWUBYAMLPOJ-CQSZACIVSA-N 0 3 305.349 2.369 20 10 DECDHN O=c1c(CNCc2ccc3c(c2)CCO3)cccn1C(F)F ZINC000876996041 689993413 /nfs/dbraw/zinc/99/34/13/689993413.db2.gz MWVFDUZCHZHWKU-UHFFFAOYSA-N 0 3 306.312 2.468 20 10 DECDHN COc1ccc(C[NH2+]Cc2cccn(C(F)F)c2=O)c([O-])c1 ZINC000877493679 690130390 /nfs/dbraw/zinc/13/03/90/690130390.db2.gz ORCONNHEXWPKIR-UHFFFAOYSA-N 0 3 310.300 2.247 20 10 DECDHN CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc(C)cc3[O-])[C@H]2C1 ZINC000877536184 690144620 /nfs/dbraw/zinc/14/46/20/690144620.db2.gz KJXSBDCBWUBGMB-ULQDDVLXSA-N 0 3 302.418 2.437 20 10 DECDHN COc1ccc(N2CCN([C@@H]3CCCC[C@H]3O)CC2)c(OC)c1 ZINC000879463947 690647076 /nfs/dbraw/zinc/64/70/76/690647076.db2.gz VXTXSQOYTDLVTB-NVXWUHKLSA-N 0 3 320.433 2.129 20 10 DECDHN CC(=O)c1cc(F)cc(CN2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1[O-] ZINC000879571552 690675843 /nfs/dbraw/zinc/67/58/43/690675843.db2.gz BQXPXDKDCDNYGR-WBMJQRKESA-N 0 3 306.381 2.260 20 10 DECDHN CC(=O)c1cc(F)cc(CN2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1[O-] ZINC000879571552 690675846 /nfs/dbraw/zinc/67/58/46/690675846.db2.gz BQXPXDKDCDNYGR-WBMJQRKESA-N 0 3 306.381 2.260 20 10 DECDHN COc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879653511 690699793 /nfs/dbraw/zinc/69/97/93/690699793.db2.gz QWECMZZQJBFOBB-ZDUSSCGKSA-N 0 3 314.385 2.368 20 10 DECDHN NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCN2CC2CC2)cc1 ZINC001039061746 691007016 /nfs/dbraw/zinc/00/70/16/691007016.db2.gz TYUIBULKOMKCGC-CQSZACIVSA-N 0 3 315.377 2.063 20 10 DECDHN N[C@H](CC1CC1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000884304892 691705272 /nfs/dbraw/zinc/70/52/72/691705272.db2.gz FKYALSVELLWCIU-HZPDHXFCSA-N 0 3 318.417 2.027 20 10 DECDHN COC(=O)N[C@H]1CCN(Cc2cc3c(cc2O)CCCC3)C1 ZINC000884484089 691749400 /nfs/dbraw/zinc/74/94/00/691749400.db2.gz IARSGGHGVQEFHZ-HNNXBMFYSA-N 0 3 304.390 2.201 20 10 DECDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C3OCCO3)C2)c1[O-] ZINC000896385605 693000954 /nfs/dbraw/zinc/00/09/54/693000954.db2.gz HJOIRGGIODUEHC-JTQLQIEISA-N 0 3 313.781 2.249 20 10 DECDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](C3OCCO3)C2)c1[O-] ZINC000896385605 693000956 /nfs/dbraw/zinc/00/09/56/693000956.db2.gz HJOIRGGIODUEHC-JTQLQIEISA-N 0 3 313.781 2.249 20 10 DECDHN C[C@H]1[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CCN1C ZINC000925328132 693257560 /nfs/dbraw/zinc/25/75/60/693257560.db2.gz UXIMIKXSDFMSDM-BLLLJJGKSA-N 0 3 317.433 2.163 20 10 DECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](O)c2ccnn2C)c1[O-] ZINC000927132731 693559005 /nfs/dbraw/zinc/55/90/05/693559005.db2.gz WPYCSBHRKOWIPN-IINYFYTJSA-N 0 3 309.797 2.472 20 10 DECDHN CN1CCN(c2ccc(CNc3ccc4nc[nH]c4n3)cc2)CC1 ZINC001167423051 777015936 /nfs/dbraw/zinc/01/59/36/777015936.db2.gz LJEMYPHONCSSCP-UHFFFAOYSA-N 0 3 322.416 2.322 20 10 DECDHN CN(C)C[C@H]1CN(Cc2ccc(N(C)C)cc2Cl)CCO1 ZINC001140921434 778016333 /nfs/dbraw/zinc/01/63/33/778016333.db2.gz CUSPPHXFAHABHH-HNNXBMFYSA-N 0 3 311.857 2.168 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c(OC)c1 ZINC001141026699 778127847 /nfs/dbraw/zinc/12/78/47/778127847.db2.gz ZKMWPQSLGGVZNL-QGZVFWFLSA-N 0 3 307.390 2.412 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CCC[C@@]3(CCOC3)C2)c(OC)c1 ZINC001141026699 778127851 /nfs/dbraw/zinc/12/78/51/778127851.db2.gz ZKMWPQSLGGVZNL-QGZVFWFLSA-N 0 3 307.390 2.412 20 10 DECDHN COc1ccc(CN2CC[C@H]([NH3+])[C@@H](F)CC2)c([O-])c1Cl ZINC001206201588 793734063 /nfs/dbraw/zinc/73/40/63/793734063.db2.gz XXOHHHZBHMNSPE-QWRGUYRKSA-N 0 3 302.777 2.315 20 10 DECDHN COC(=O)c1ccc2c(c1)CCN(Cc1ccc(O)cc1O)C2 ZINC001204276000 795346791 /nfs/dbraw/zinc/34/67/91/795346791.db2.gz DESSHJNKEKRNDI-UHFFFAOYSA-N 0 3 313.353 2.443 20 10 DECDHN Cc1cc(CN2C[C@H]([NH3+])C[C@H](F)C2)c([O-])cc1Br ZINC001206454407 795481778 /nfs/dbraw/zinc/48/17/78/795481778.db2.gz DPVXIINBNYKURL-WDEREUQCSA-N 0 3 317.202 2.334 20 10 DECDHN C[C@]1(CO)CN(Cc2ccc(N3CCCCC3)cc2)CC[C@H]1O ZINC001138215756 796184165 /nfs/dbraw/zinc/18/41/65/796184165.db2.gz SEONFDXHZTUYQB-RTBURBONSA-N 0 3 318.461 2.242 20 10 DECDHN Cc1c(CN2CCN([C@H]3CCOC3)CC2)c2ccccc2n1C ZINC001138252865 796188487 /nfs/dbraw/zinc/18/84/87/796188487.db2.gz XCBGQKVCPPESDE-INIZCTEOSA-N 0 3 313.445 2.393 20 10 DECDHN COCCCN1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC001139673580 796408070 /nfs/dbraw/zinc/40/80/70/796408070.db2.gz UOOVUBAGLRSGTJ-UHFFFAOYSA-N 0 3 305.466 2.215 20 10 DECDHN CCCNC(=O)COC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC001140055897 796471255 /nfs/dbraw/zinc/47/12/55/796471255.db2.gz AEIPWEIUMQTYDR-UHFFFAOYSA-N 0 3 324.396 2.039 20 10 DECDHN COc1cc([O-])c(C[NH+]2CCC3(CCC(=O)O3)CC2)c(OC)c1 ZINC001141028181 796620606 /nfs/dbraw/zinc/62/06/06/796620606.db2.gz FBJSMOQXZCCOPJ-UHFFFAOYSA-N 0 3 321.373 2.081 20 10 DECDHN COC(=O)[C@@H]1CCC[N@H+](Cc2c([O-])cc(OC)cc2OC)[C@H]1C ZINC001141029284 796621403 /nfs/dbraw/zinc/62/14/03/796621403.db2.gz NZOGRJRBTJIMJX-WCQYABFASA-N 0 3 323.389 2.183 20 10 DECDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])cc(OC)cc2OC)[C@H]1C ZINC001141029284 796621406 /nfs/dbraw/zinc/62/14/06/796621406.db2.gz NZOGRJRBTJIMJX-WCQYABFASA-N 0 3 323.389 2.183 20 10 DECDHN CN1CCOc2cc(CN3CC(N4CCCCC4)C3)ccc21 ZINC001141144285 796639113 /nfs/dbraw/zinc/63/91/13/796639113.db2.gz YMUVETCBLOAYSL-UHFFFAOYSA-N 0 3 301.434 2.185 20 10 DECDHN O=C(NC1CCN(Cc2cc(O)ccc2O)CC1)C1CCCC1 ZINC001141159091 796642501 /nfs/dbraw/zinc/64/25/01/796642501.db2.gz YNRIAMLQCGGDMW-UHFFFAOYSA-N 0 3 318.417 2.369 20 10 DECDHN O=C([C@@H]1CCCN(Cc2ccc(O)c(O)c2)C1)N1CCCCC1 ZINC001203879417 798198451 /nfs/dbraw/zinc/19/84/51/798198451.db2.gz QLFRNZGQBTUHBP-OAHLLOKOSA-N 0 3 318.417 2.322 20 10 DECDHN [O-]c1ccccc1C[N@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001203552069 800077830 /nfs/dbraw/zinc/07/78/30/800077830.db2.gz ZATXOYSUKBDMRF-HDICACEKSA-N 0 3 309.413 2.351 20 10 DECDHN [O-]c1ccccc1C[N@@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001203552069 800077836 /nfs/dbraw/zinc/07/78/36/800077836.db2.gz ZATXOYSUKBDMRF-HDICACEKSA-N 0 3 309.413 2.351 20 10 DECDHN [O-]c1ccccc1C[NH+]1C[C@@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001203551863 800079752 /nfs/dbraw/zinc/07/97/52/800079752.db2.gz RCIRBXYEFKTNLG-IAGOWNOFSA-N 0 3 309.413 2.351 20 10 DECDHN Oc1ccccc1CN1CCN(c2ccc(Cl)nn2)CC1 ZINC001203558302 800080265 /nfs/dbraw/zinc/08/02/65/800080265.db2.gz CMKVSTHZFGXVQF-UHFFFAOYSA-N 0 3 304.781 2.158 20 10 DECDHN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1C[C@@H](C)CC[C@@H]1CN ZINC001205819418 800427073 /nfs/dbraw/zinc/42/70/73/800427073.db2.gz XQLYIBAEWKNZOL-WCQYABFASA-N 0 3 316.401 2.366 20 10 DECDHN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1C[C@@H](C)CC[C@@H]1CN ZINC001205819418 800427076 /nfs/dbraw/zinc/42/70/76/800427076.db2.gz XQLYIBAEWKNZOL-WCQYABFASA-N 0 3 316.401 2.366 20 10 DECDHN CC(C)(C)c1cc([O-])c(CN2C[C@@H](O)[C@@H](C[NH3+])C2)cc1Cl ZINC001206492589 800543493 /nfs/dbraw/zinc/54/34/93/800543493.db2.gz XZGCQMSFSWBEOO-XHDPSFHLSA-N 0 3 312.841 2.095 20 10 DECDHN CCOC(=O)[C@@H]1CCN(Cc2ccc(N(C)C)cc2OC)C1 ZINC001231854108 801738241 /nfs/dbraw/zinc/73/82/41/801738241.db2.gz ZEACAUVYDFKWRJ-CQSZACIVSA-N 0 3 306.406 2.146 20 10 DECDHN COc1cc(N(C)C)ccc1CN(C)[C@@H]1CCCN(C(C)=O)C1 ZINC001231854218 801738522 /nfs/dbraw/zinc/73/85/22/801738522.db2.gz BDEHSDBPAOIWOL-QGZVFWFLSA-N 0 3 319.449 2.204 20 10 DECDHN CN(C)c1ccc(CN2CCN(C)c3ncccc3C2)c(O)c1 ZINC001232838111 801969494 /nfs/dbraw/zinc/96/94/94/801969494.db2.gz PQCHWCXHNKEXRZ-UHFFFAOYSA-N 0 3 312.417 2.305 20 10 DECDHN COc1cc(Cl)cc(CN2CC[C@@H](F)[C@@H](O)CC2)c1O ZINC001233287995 802064671 /nfs/dbraw/zinc/06/46/71/802064671.db2.gz QUYZTIBSXFDZGL-NEPJUHHUSA-N 0 3 303.761 2.349 20 10 DECDHN C[C@@H]1C[NH2+]C[C@@H]1Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001217966031 802124906 /nfs/dbraw/zinc/12/49/06/802124906.db2.gz WGSAQKAGPLFVIF-BMIGLBTASA-N 0 3 323.348 2.154 20 10 DECDHN Cc1ccc(C)n1-c1ccc(CN2CCOC3(CNC3)C2)cc1 ZINC001222447044 802687670 /nfs/dbraw/zinc/68/76/70/802687670.db2.gz JRTKHNXYUFDKGS-UHFFFAOYSA-N 0 3 311.429 2.268 20 10 DECDHN CCO[C@H]1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001334332175 1150272625 /nfs/dbraw/zinc/27/26/25/1150272625.db2.gz JHBFOEXHXUNQMQ-INIZCTEOSA-N 0 3 321.440 2.188 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](c3nccs3)C1)[C@H](O)CO2 ZINC001331047563 1149369284 /nfs/dbraw/zinc/36/92/84/1149369284.db2.gz YBIJTSRUTQIBEM-QMTHXVAHSA-N 0 3 318.398 2.264 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](c3nccs3)C1)[C@H](O)CO2 ZINC001331047563 1149369291 /nfs/dbraw/zinc/36/92/91/1149369291.db2.gz YBIJTSRUTQIBEM-QMTHXVAHSA-N 0 3 318.398 2.264 20 10 DECDHN CC[NH+]1CCC(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001605471597 1070722863 /nfs/dbraw/zinc/72/28/63/1070722863.db2.gz PBEIUKNQDYKZHD-GFCCVEGCSA-N 0 3 306.406 2.473 20 10 DECDHN CC[NH+]1CCC(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001605471598 1070723163 /nfs/dbraw/zinc/72/31/63/1070723163.db2.gz PBEIUKNQDYKZHD-LBPRGKRZSA-N 0 3 306.406 2.473 20 10 DECDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CC(=O)OCC ZINC001473424583 1060681979 /nfs/dbraw/zinc/68/19/79/1060681979.db2.gz NPJZSZLYBONSCD-HNNXBMFYSA-N 0 3 309.406 2.308 20 10 DECDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)CC(=O)OCC ZINC001473424583 1060681993 /nfs/dbraw/zinc/68/19/93/1060681993.db2.gz NPJZSZLYBONSCD-HNNXBMFYSA-N 0 3 309.406 2.308 20 10 DECDHN CCOCc1cc(CN[C@@H]2CC(=O)N(C(C)C)C2)ccc1OC ZINC001474015689 1060797302 /nfs/dbraw/zinc/79/73/02/1060797302.db2.gz GLTNWYSISINWJP-MRXNPFEDSA-N 0 3 320.433 2.331 20 10 DECDHN CCN(C)c1ccc(C[NH+]2CCC(Cc3nnn[n-]3)CC2)cc1 ZINC001620548889 1078164968 /nfs/dbraw/zinc/16/49/68/1078164968.db2.gz KKEOMMBVJOWDOP-UHFFFAOYSA-N 0 3 314.437 2.111 20 10 DECDHN CCN(C)c1ccc(C[NH+]2CCC(Cc3nn[n-]n3)CC2)cc1 ZINC001620548889 1078164971 /nfs/dbraw/zinc/16/49/71/1078164971.db2.gz KKEOMMBVJOWDOP-UHFFFAOYSA-N 0 3 314.437 2.111 20 10 DECDHN C[NH2+]CCOc1ccccc1C(=O)NCc1c([O-])cccc1F ZINC001578713244 1067154621 /nfs/dbraw/zinc/15/46/21/1067154621.db2.gz VPHMQFABCGRSIC-UHFFFAOYSA-N 0 3 318.348 2.060 20 10 DECDHN CN(CCN1CC[NH2+]CC1)Cc1c([O-])ccc(Cl)c1Cl ZINC001236081607 1079084526 /nfs/dbraw/zinc/08/45/26/1079084526.db2.gz QZPCBKTVHSAQLK-UHFFFAOYSA-N 0 3 318.248 2.036 20 10 DECDHN CC[C@@H](CO)N1CCN(Cc2cc(C(C)C)ccc2O)CC1 ZINC001560628623 1075144097 /nfs/dbraw/zinc/14/40/97/1075144097.db2.gz OJROKUFJANECNV-KRWDZBQOSA-N 0 3 306.450 2.404 20 10 DECDHN C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609778755 1077921637 /nfs/dbraw/zinc/92/16/37/1077921637.db2.gz JKDLJTOGZCRDHZ-LBPRGKRZSA-N 0 3 306.406 2.473 20 10 DECDHN [O-]c1cc(Cl)ccc1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001658591865 1080211448 /nfs/dbraw/zinc/21/14/48/1080211448.db2.gz MPVFSBPIPNKWCP-HNNXBMFYSA-N 0 3 310.825 2.077 20 10 DECDHN [O-]c1cc(Cl)ccc1CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001658591865 1080211459 /nfs/dbraw/zinc/21/14/59/1080211459.db2.gz MPVFSBPIPNKWCP-HNNXBMFYSA-N 0 3 310.825 2.077 20 10 DECDHN CC[C@H]([NH3+])CN(C)Cc1c([O-])cc(OC)cc1Br ZINC001236885263 1080249929 /nfs/dbraw/zinc/24/99/29/1080249929.db2.gz YOISRHLEZJMYJV-VIFPVBQESA-N 0 3 317.227 2.332 20 10 DECDHN CN(C)CC[N@@H+]1CCC2(CN(Cc3cccc(Cl)c3[O-])C2)C1 ZINC001276380252 1083745965 /nfs/dbraw/zinc/74/59/65/1083745965.db2.gz LULWYFKXRLBPOA-UHFFFAOYSA-N 0 3 323.868 2.115 20 10 DECDHN CN(C)CC[N@H+]1CCC2(CN(Cc3cccc(Cl)c3[O-])C2)C1 ZINC001276380252 1083745971 /nfs/dbraw/zinc/74/59/71/1083745971.db2.gz LULWYFKXRLBPOA-UHFFFAOYSA-N 0 3 323.868 2.115 20 10 DECDHN Cc1ccc(CN2CC3(C2)SCC[C@@H]3C(=O)N(C)C)c(O)c1 ZINC001277568242 1084039728 /nfs/dbraw/zinc/03/97/28/1084039728.db2.gz LZQBBKKCQVRNCC-CQSZACIVSA-N 0 3 320.458 2.096 20 10 DECDHN Cc1cc([O-])c(CN2CC[NH2+]C3(CC3)C2)cc1Br ZINC001235936013 1084567695 /nfs/dbraw/zinc/56/76/95/1084567695.db2.gz NVOUFWNBMHEFPU-UHFFFAOYSA-N 0 3 311.223 2.401 20 10 DECDHN Cc1ccc(CN2CC[C@@H]3C[C@@]32C(=O)N2CCCCO2)c(O)c1 ZINC001277566495 1138330500 /nfs/dbraw/zinc/33/05/00/1138330500.db2.gz JVCCSODFHDMUDK-QAPCUYQASA-N 0 3 316.401 2.219 20 10 DECDHN COc1cc(C)c(C[NH+]2CCC(C(C)(C)C(N)=O)CC2)c([O-])c1 ZINC001236810808 1138437097 /nfs/dbraw/zinc/43/70/97/1138437097.db2.gz JPDVXXRYNPODPE-UHFFFAOYSA-N 0 3 320.433 2.433 20 10 DECDHN CC(C)c1ccc(CN2CCN([C@H]3CCOC3)CC2)c(O)c1 ZINC001237046949 1138487764 /nfs/dbraw/zinc/48/77/64/1138487764.db2.gz XNQUBMJXZLAOCH-KRWDZBQOSA-N 0 3 304.434 2.422 20 10 DECDHN COC(=O)Cc1ccc(CN(C)Cc2cccnc2)c(O)c1 ZINC001249171773 1141856571 /nfs/dbraw/zinc/85/65/71/1141856571.db2.gz FMWWMFAQUUSILB-UHFFFAOYSA-N 0 3 300.358 2.135 20 10 DECDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c([O-])c1 ZINC001249178060 1141857085 /nfs/dbraw/zinc/85/70/85/1141857085.db2.gz OZJKTACSZMCHBO-GOSISDBHSA-N 0 3 319.401 2.110 20 10 DECDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@@]3(CCOC3)C2)c([O-])c1 ZINC001249178060 1141857089 /nfs/dbraw/zinc/85/70/89/1141857089.db2.gz OZJKTACSZMCHBO-GOSISDBHSA-N 0 3 319.401 2.110 20 10 DECDHN CCOCC1CC[NH+](Cc2ccc(CC(=O)OC)cc2[O-])CC1 ZINC001249208156 1141860086 /nfs/dbraw/zinc/86/00/86/1141860086.db2.gz NVUUNIRICNAHJM-UHFFFAOYSA-N 0 3 321.417 2.356 20 10 DECDHN Cc1cc(CN2CCN3CC[C@@H]3C2)c(O)cc1Br ZINC001250135623 1142086831 /nfs/dbraw/zinc/08/68/31/1142086831.db2.gz GQYFOLPVXWTVOQ-GFCCVEGCSA-N 0 3 311.223 2.353 20 10 DECDHN [NH3+]C12C[C@@H]3C[C@H](C1)CC(C(=O)NCc1c([O-])cccc1F)(C3)C2 ZINC001341011454 1143523572 /nfs/dbraw/zinc/52/35/72/1143523572.db2.gz JXDTZSODJBGKHT-CCHVVGMOSA-N 0 3 318.392 2.445 20 10 DECDHN CN1CCN(c2ccc(CNCc3ccoc3)cc2F)CC1 ZINC001318339436 1147813785 /nfs/dbraw/zinc/81/37/85/1147813785.db2.gz QVLSVCQSSHNNKG-UHFFFAOYSA-N 0 3 303.381 2.460 20 10 DECDHN COc1cccc(CNCc2ccc3c(c2)OCCO3)c1O ZINC000074334716 355023257 /nfs/dbraw/zinc/02/32/57/355023257.db2.gz PBHXSQNLDJRYTO-UHFFFAOYSA-N 0 3 301.342 2.462 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](c3ncc[nH]3)C1)OCO2 ZINC000092073569 355617708 /nfs/dbraw/zinc/61/77/08/355617708.db2.gz QICYOYNDIWSYAR-LLVKDONJSA-N 0 3 301.346 2.224 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](c3ncc[nH]3)C1)OCO2 ZINC000092073569 355617714 /nfs/dbraw/zinc/61/77/14/355617714.db2.gz QICYOYNDIWSYAR-LLVKDONJSA-N 0 3 301.346 2.224 20 10 DECDHN CCCOc1ccc(CN2CCN([C@H](CC)CO)CC2)c(O)c1 ZINC000093740232 355686332 /nfs/dbraw/zinc/68/63/32/355686332.db2.gz WSCXMYGLOHJIFA-MRXNPFEDSA-N 0 3 322.449 2.070 20 10 DECDHN COc1ccnc(N2CCN(Cc3cc(C)ccc3O)CC2)c1 ZINC000093079232 193200549 /nfs/dbraw/zinc/20/05/49/193200549.db2.gz JAGQUJHQVOVZKQ-UHFFFAOYSA-N 0 3 313.401 2.426 20 10 DECDHN C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cc2c(cc1[O-])CCCC2 ZINC000273404498 130117231 /nfs/dbraw/zinc/11/72/31/130117231.db2.gz ODUYCVSGDVXNOE-STQMWFEESA-N 0 3 323.458 2.356 20 10 DECDHN C[C@H]([NH2+]CCCS(C)(=O)=O)c1cc2c(cc1[O-])CCCC2 ZINC000273591091 130141639 /nfs/dbraw/zinc/14/16/39/130141639.db2.gz PEHIMGZQZKFJHQ-LBPRGKRZSA-N 0 3 311.447 2.356 20 10 DECDHN CCCOc1ccc(C[N@@H+]2CC[C@H]3OCCN(C)[C@H]3C2)c([O-])c1 ZINC000284311225 131068414 /nfs/dbraw/zinc/06/84/14/131068414.db2.gz JLKXPDHFOWVVBK-FUHWJXTLSA-N 0 3 320.433 2.086 20 10 DECDHN CCCOc1ccc(C[N@H+]2CC[C@H]3OCCN(C)[C@H]3C2)c([O-])c1 ZINC000284311225 131068415 /nfs/dbraw/zinc/06/84/15/131068415.db2.gz JLKXPDHFOWVVBK-FUHWJXTLSA-N 0 3 320.433 2.086 20 10 DECDHN C[C@H](C[NH2+]Cc1c([O-])cccc1Cl)CN1CCN(C)CC1 ZINC000113335729 401776932 /nfs/dbraw/zinc/77/69/32/401776932.db2.gz UCNTXHOFVTYKDE-CYBMUJFWSA-N 0 3 311.857 2.019 20 10 DECDHN O=C1NCCCC[C@@H]1NCc1ccc(N2CCCCC2)cc1 ZINC000078972982 401868956 /nfs/dbraw/zinc/86/89/56/401868956.db2.gz YTYZEYAYVIXGNU-KRWDZBQOSA-N 0 3 301.434 2.435 20 10 DECDHN CC[C@@H]([NH2+]CCCN(CC)S(C)(=O)=O)c1ccccc1[O-] ZINC000038035352 401920931 /nfs/dbraw/zinc/92/09/31/401920931.db2.gz BLJFLHZBYLYXFJ-CQSZACIVSA-N 0 3 314.451 2.105 20 10 DECDHN CCCOc1ccc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)c(O)c1 ZINC000120642972 401997315 /nfs/dbraw/zinc/99/73/15/401997315.db2.gz CWHLQFMQHFXNSS-HUUCEWRRSA-N 0 3 322.449 2.068 20 10 DECDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@H](COCCOC)C2)c1 ZINC000093755494 402019179 /nfs/dbraw/zinc/01/91/79/402019179.db2.gz UTWYWKFTGYCESU-CQSZACIVSA-N 0 3 309.406 2.276 20 10 DECDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@H](COCCOC)C2)c1 ZINC000093755494 402019181 /nfs/dbraw/zinc/01/91/81/402019181.db2.gz UTWYWKFTGYCESU-CQSZACIVSA-N 0 3 309.406 2.276 20 10 DECDHN CCN(C)C(=O)CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000153447518 402145608 /nfs/dbraw/zinc/14/56/08/402145608.db2.gz GLUSQXBYAAUXAW-INIZCTEOSA-N 0 3 320.433 2.242 20 10 DECDHN CCN(C)C(=O)CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000153447518 402145610 /nfs/dbraw/zinc/14/56/10/402145610.db2.gz GLUSQXBYAAUXAW-INIZCTEOSA-N 0 3 320.433 2.242 20 10 DECDHN CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCCN1C ZINC000108929521 402264283 /nfs/dbraw/zinc/26/42/83/402264283.db2.gz GCHBCVGDDFBNFT-OAHLLOKOSA-N 0 3 305.422 2.408 20 10 DECDHN CC[C@H](COC)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000155314107 402251894 /nfs/dbraw/zinc/25/18/94/402251894.db2.gz KLWYNYLWRAURAS-MRXNPFEDSA-N 0 3 323.456 2.482 20 10 DECDHN C[C@@H](NCC(=O)NCC1CC1)c1cc2c(cc1O)CCCC2 ZINC000186505474 402437499 /nfs/dbraw/zinc/43/74/99/402437499.db2.gz RVHMNHIXPZAGMW-GFCCVEGCSA-N 0 3 302.418 2.448 20 10 DECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)CCN2CCN(C)CC2)c1 ZINC000186602243 402446616 /nfs/dbraw/zinc/44/66/16/402446616.db2.gz DPXUTICCAXXKJB-HUUCEWRRSA-N 0 3 321.465 2.077 20 10 DECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)CCN2CCN(C)CC2)c1 ZINC000186602201 402446711 /nfs/dbraw/zinc/44/67/11/402446711.db2.gz DPXUTICCAXXKJB-CABCVRRESA-N 0 3 321.465 2.077 20 10 DECDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CC(N)=O)C2)c1[O-] ZINC000184700578 286223218 /nfs/dbraw/zinc/22/32/18/286223218.db2.gz OHMQEBFKYSIXGJ-SNVBAGLBSA-N 0 3 312.797 2.142 20 10 DECDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](CC(N)=O)C2)c1[O-] ZINC000184700578 286223219 /nfs/dbraw/zinc/22/32/19/286223219.db2.gz OHMQEBFKYSIXGJ-SNVBAGLBSA-N 0 3 312.797 2.142 20 10 DECDHN CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])N1CCN(C)CC1 ZINC000170789705 402525670 /nfs/dbraw/zinc/52/56/70/402525670.db2.gz QIWOZJISAXWEAU-YOEHRIQHSA-N 0 3 323.456 2.454 20 10 DECDHN CCOc1ccc(O)c(CN(C)CCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000193400296 402770742 /nfs/dbraw/zinc/77/07/42/402770742.db2.gz REVFTRJSDXNOLF-GASCZTMLSA-N 0 3 322.449 2.332 20 10 DECDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1ccc(N(C)C)cc1 ZINC000278683157 402869544 /nfs/dbraw/zinc/86/95/44/402869544.db2.gz OYEBYOOYPHTZAD-MRXNPFEDSA-N 0 3 317.477 2.438 20 10 DECDHN COc1ccc([O-])c(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c1 ZINC000271965479 402887800 /nfs/dbraw/zinc/88/78/00/402887800.db2.gz ZZYDELJHYSCBLS-CQSZACIVSA-N 0 3 319.376 2.481 20 10 DECDHN CCN(Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCNC1=O ZINC000281833630 403096367 /nfs/dbraw/zinc/09/63/67/403096367.db2.gz SGPOPRUQOGXWGI-QGZVFWFLSA-N 0 3 301.434 2.387 20 10 DECDHN CCN(Cc1ccc(N2CCCCC2)cc1)[C@H]1CCNC1=O ZINC000281833627 403096571 /nfs/dbraw/zinc/09/65/71/403096571.db2.gz SGPOPRUQOGXWGI-KRWDZBQOSA-N 0 3 301.434 2.387 20 10 DECDHN [O-]c1cc2c(cc1C[NH2+][C@H]1CCO[C@]3(CCSC3)C1)OCO2 ZINC000269106010 403123438 /nfs/dbraw/zinc/12/34/38/403123438.db2.gz AVIPVCVRCGTNNE-BLLLJJGKSA-N 0 3 323.414 2.265 20 10 DECDHN CCCCN(CC(=O)NCCCOC)Cc1ccccc1O ZINC000282566028 403156441 /nfs/dbraw/zinc/15/64/41/403156441.db2.gz YZCMTFBORJBIDF-UHFFFAOYSA-N 0 3 308.422 2.147 20 10 DECDHN CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2c(C)cc(C)cc2[O-])C1 ZINC000294630139 403723785 /nfs/dbraw/zinc/72/37/85/403723785.db2.gz FTYNGDOIRJQPOT-ZIAGYGMSSA-N 0 3 305.422 2.463 20 10 DECDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+][C@@H]2CCOC2)C1 ZINC000361781759 403863057 /nfs/dbraw/zinc/86/30/57/403863057.db2.gz DPBFFVDMQSAJLQ-HUUCEWRRSA-N 0 3 310.825 2.389 20 10 DECDHN C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1cc(F)ccc1[O-] ZINC000363870478 404232242 /nfs/dbraw/zinc/23/22/42/404232242.db2.gz VRRFZXUJEWDDAR-YPMHNXCESA-N 0 3 304.369 2.194 20 10 DECDHN CCN1CCN(Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000296500895 404278652 /nfs/dbraw/zinc/27/86/52/404278652.db2.gz LMYSQNYEVYFOFS-UHFFFAOYSA-N 0 3 317.477 2.439 20 10 DECDHN CCOc1ccc(O)c(CN2CCC(F)(F)[C@H](CO)C2)c1 ZINC000291365035 404381005 /nfs/dbraw/zinc/38/10/05/404381005.db2.gz YSRFLZWZGLBFKT-LBPRGKRZSA-N 0 3 301.333 2.240 20 10 DECDHN Cc1cc(O)c(CN2CCN([C@H]3CCC[C@@H]3O)CC2)cc1C ZINC000367461073 405056850 /nfs/dbraw/zinc/05/68/50/405056850.db2.gz PSHLJTOMVWALFE-IRXDYDNUSA-N 0 3 304.434 2.040 20 10 DECDHN Cc1cc(O)c(CN2CCN([C@H]3CCC[C@H]3O)CC2)cc1C ZINC000367461071 405057315 /nfs/dbraw/zinc/05/73/15/405057315.db2.gz PSHLJTOMVWALFE-DLBZAZTESA-N 0 3 304.434 2.040 20 10 DECDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000418100986 229219696 /nfs/dbraw/zinc/21/96/96/229219696.db2.gz QPJMPPASNSEYSH-KBPBESRZSA-N 0 3 314.433 2.379 20 10 DECDHN COc1cccc(C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c1[O-] ZINC000375299815 274145754 /nfs/dbraw/zinc/14/57/54/274145754.db2.gz OAOKGJSWKPGICV-LJQANCHMSA-N 0 3 324.380 2.497 20 10 DECDHN COc1cccc(C[N@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c1[O-] ZINC000375299815 274145758 /nfs/dbraw/zinc/14/57/58/274145758.db2.gz OAOKGJSWKPGICV-LJQANCHMSA-N 0 3 324.380 2.497 20 10 DECDHN CC[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1ccccc1[O-] ZINC000363712709 332227333 /nfs/dbraw/zinc/22/73/33/332227333.db2.gz KHMFLUTXALOVLU-CJNGLKHVSA-N 0 3 300.406 2.445 20 10 DECDHN CN(C)c1ccc(/C=C\CN2CCC(CC(N)=O)CC2)cc1 ZINC000835025551 649867935 /nfs/dbraw/zinc/86/79/35/649867935.db2.gz KSGFMNBJKMEXNU-ARJAWSKDSA-N 0 3 301.434 2.353 20 10 DECDHN CC(C)N(CCN(C)C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000158194333 519645546 /nfs/dbraw/zinc/64/55/46/519645546.db2.gz HNQJUXNEVAFXDO-UHFFFAOYSA-N 0 3 324.444 2.373 20 10 DECDHN CN(C)c1ccc(CN(C)C(=O)CN2C[C@H]3CCC[C@@H]3C2)cc1 ZINC000176265454 522165219 /nfs/dbraw/zinc/16/52/19/522165219.db2.gz PKYZMRZIFZRWOV-IAGOWNOFSA-N 0 3 315.461 2.443 20 10 DECDHN CN(C)c1ccc(CNC(=O)[C@@H](N)Cc2ccccc2)cc1F ZINC000237083201 522200556 /nfs/dbraw/zinc/20/05/56/522200556.db2.gz IPQQXKGBYSGCKG-INIZCTEOSA-N 0 3 315.392 2.078 20 10 DECDHN CC[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1ccccc1[O-] ZINC000157499583 522635896 /nfs/dbraw/zinc/63/58/96/522635896.db2.gz ZTXUJQQAFCNOTH-ZFWWWQNUSA-N 0 3 307.390 2.355 20 10 DECDHN CN1CCCc2cc(CNC(=O)[C@]3(C)CCCCN3)ccc21 ZINC000237129211 523861120 /nfs/dbraw/zinc/86/11/20/523861120.db2.gz OEHCUFVKXIKSRL-SFHVURJKSA-N 0 3 301.434 2.217 20 10 DECDHN Fc1cc(CNC[C@H]2CCC=CO2)ccc1N1CCOCC1 ZINC000189556802 526298581 /nfs/dbraw/zinc/29/85/81/526298581.db2.gz AVNNSXOGTHFLBU-OAHLLOKOSA-N 0 3 306.381 2.445 20 10 DECDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC)c2[O-])[C@@]12CCCO2 ZINC000273641398 535412085 /nfs/dbraw/zinc/41/20/85/535412085.db2.gz USTRMKBBZQYVQA-INMHGKMJSA-N 0 3 307.390 2.217 20 10 DECDHN COc1cc([O-])c(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)cc1OC ZINC000273123687 536856585 /nfs/dbraw/zinc/85/65/85/536856585.db2.gz ADEXIUFTQFEOOL-SJORKVTESA-N 0 3 307.390 2.457 20 10 DECDHN CN(C)c1ccc(/C=C\CNC[C@H]2CCCCS2(=O)=O)cc1 ZINC000835048802 649871517 /nfs/dbraw/zinc/87/15/17/649871517.db2.gz ZLTAXYIWZMDQSZ-KEGWNNHHSA-N 0 3 322.474 2.323 20 10 DECDHN C[NH+]1CCC2(CC1)CN(Cc1ccc(Cl)cc1[O-])CCO2 ZINC001474596025 1152556186 /nfs/dbraw/zinc/55/61/86/1152556186.db2.gz UOAQEQLFUVOITL-UHFFFAOYSA-N 0 3 310.825 2.342 20 10 DECDHN C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cccc(O)c2[O-])C1 ZINC000186948517 625412041 /nfs/dbraw/zinc/41/20/41/625412041.db2.gz XQGAJQQISNEDEG-CHWSQXEVSA-N 0 3 306.406 2.196 20 10 DECDHN CS[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251295 623797267 /nfs/dbraw/zinc/79/72/67/623797267.db2.gz BPZLMCUEXRWBPP-SWLSCSKDSA-N 0 3 309.479 2.223 20 10 DECDHN COc1cccc(CNCc2cccc(C(=O)N(C)C)c2)c1O ZINC000725844284 625909316 /nfs/dbraw/zinc/90/93/16/625909316.db2.gz RKYFMNGTGOKNFD-UHFFFAOYSA-N 0 3 314.385 2.392 20 10 DECDHN COc1cc(Br)cc(C[NH2+][C@H](CO)C2CC2)c1[O-] ZINC000734164439 633341589 /nfs/dbraw/zinc/34/15/89/633341589.db2.gz LXAVNOJTUUXYQU-LLVKDONJSA-N 0 3 316.195 2.024 20 10 DECDHN C[C@H](NC(=O)N[C@H]1CCN(C)[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000922056283 635831275 /nfs/dbraw/zinc/83/12/75/635831275.db2.gz XOAZRVOJLXKINQ-ZENOOKHLSA-N 0 3 304.438 2.205 20 10 DECDHN COc1cccc([O-])c1C[NH2+]CC[C@@H](N(C)C)C(F)(F)F ZINC000922752119 636371353 /nfs/dbraw/zinc/37/13/53/636371353.db2.gz LZNJLUDTTFHROO-CYBMUJFWSA-N 0 3 306.328 2.373 20 10 DECDHN COC(=O)[C@@H]1[C@@H](CNCc2ccc(N(C)C)cc2C)C1(F)F ZINC000894256791 636581900 /nfs/dbraw/zinc/58/19/00/636581900.db2.gz WODLAQRHLVLGOC-KGLIPLIRSA-N 0 3 312.360 2.205 20 10 DECDHN Cc1[nH]cnc1CC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840555334 650321014 /nfs/dbraw/zinc/32/10/14/650321014.db2.gz NUIRLDIFLYGTSG-ZDUSSCGKSA-N 0 3 314.433 2.382 20 10 DECDHN Cc1ccc(O)c(CN2CCc3nc[nH]c3C23CCOCC3)c1 ZINC000895070085 637483097 /nfs/dbraw/zinc/48/30/97/637483097.db2.gz BNBCJBHWMVUZRF-UHFFFAOYSA-N 0 3 313.401 2.488 20 10 DECDHN Cc1cc(Br)cc(CN2C[C@@H](O)C[C@@H]2C)c1O ZINC000788269026 637541428 /nfs/dbraw/zinc/54/14/28/637541428.db2.gz KEBOJWKRICFRFA-CABZTGNLSA-N 0 3 300.196 2.418 20 10 DECDHN Cc1cn[nH]c1CNCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839145119 637789044 /nfs/dbraw/zinc/78/90/44/637789044.db2.gz LHIAVYVKPIKUSW-UHFFFAOYSA-N 0 3 322.359 2.123 20 10 DECDHN COc1ccc(N2CCC(NCc3cc(C)n(C)n3)CC2)cc1 ZINC000840891861 650371798 /nfs/dbraw/zinc/37/17/98/650371798.db2.gz UTIGJSLENYJLHD-UHFFFAOYSA-N 0 3 314.433 2.496 20 10 DECDHN C[C@@H]1CC[C@H](C)N(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000839499775 637897431 /nfs/dbraw/zinc/89/74/31/637897431.db2.gz TXXACQNOCGOMIQ-CABCVRRESA-N 0 3 303.450 2.489 20 10 DECDHN Cc1ccc(C[NH2+]CCN2C[C@@H]3CCCCN3C2=O)c([O-])c1 ZINC000895342497 637948960 /nfs/dbraw/zinc/94/89/60/637948960.db2.gz GDITZBJXOWJSFA-HNNXBMFYSA-N 0 3 303.406 2.080 20 10 DECDHN CCN(CC)c1ccc(CN2CC[C@H](NC(=O)OC)C2)cc1 ZINC000895850069 638233483 /nfs/dbraw/zinc/23/34/83/638233483.db2.gz AXBIFRRZYKBQKY-HNNXBMFYSA-N 0 3 305.422 2.463 20 10 DECDHN COC[C@]1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCCN1 ZINC000841067207 650420902 /nfs/dbraw/zinc/42/09/02/650420902.db2.gz KORXYBVWKICYBK-CQSZACIVSA-N 0 3 302.777 2.043 20 10 DECDHN C[C@@H](NC[C@@H]1CCCCS1(=O)=O)c1ccc(N(C)C)cc1 ZINC000753729075 639335249 /nfs/dbraw/zinc/33/52/49/639335249.db2.gz DZGFDPLCGXFFEC-CJNGLKHVSA-N 0 3 310.463 2.371 20 10 DECDHN C[C@H](CN1CCOCC1)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756413105 639659680 /nfs/dbraw/zinc/65/96/80/639659680.db2.gz BQKPJHXICIQWHI-YRGRVCCFSA-N 0 3 308.397 2.390 20 10 DECDHN C[C@H]1C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c2c1c(F)ccc2[O-] ZINC000756474965 639665238 /nfs/dbraw/zinc/66/52/38/639665238.db2.gz FHTINGHRXIPVGR-CBAPKCEASA-N 0 3 320.286 2.348 20 10 DECDHN CCNC(=O)N1CC[C@H]([NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)C1 ZINC000756761942 639693092 /nfs/dbraw/zinc/69/30/92/639693092.db2.gz VJYDLHHCCKERIW-MDZLAQPJSA-N 0 3 321.396 2.473 20 10 DECDHN C[C@@H](C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)S(C)(=O)=O ZINC000756768956 639693148 /nfs/dbraw/zinc/69/31/48/639693148.db2.gz BQFXEAQLXVWFTK-WCABBAIRSA-N 0 3 301.383 2.102 20 10 DECDHN C[C@H]1CC(C)(C)CN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839660555 639783663 /nfs/dbraw/zinc/78/36/63/639783663.db2.gz MOLSUPWSOSVXQX-AWEZNQCLSA-N 0 3 303.450 2.489 20 10 DECDHN C[N@@H+]1CCCC[C@@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC000897561235 640801536 /nfs/dbraw/zinc/80/15/36/640801536.db2.gz AGNFPEAAOUGOKM-LBPRGKRZSA-N 0 3 309.385 2.062 20 10 DECDHN C[N@H+]1CCCC[C@@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC000897561235 640801537 /nfs/dbraw/zinc/80/15/37/640801537.db2.gz AGNFPEAAOUGOKM-LBPRGKRZSA-N 0 3 309.385 2.062 20 10 DECDHN COC(=O)c1cc2n(n1)CCC[C@@H]2NCc1cccc(C)c1O ZINC000897986051 640996221 /nfs/dbraw/zinc/99/62/21/640996221.db2.gz VHZDKXVRFLVZJE-ZDUSSCGKSA-N 0 3 315.373 2.308 20 10 DECDHN CCN(CC)c1ccc(CN2C[C@@H]3OCCN(C)[C@H]3C2)cc1 ZINC000769485263 641249658 /nfs/dbraw/zinc/24/96/58/641249658.db2.gz ZVKKAMSQFTYEHB-ROUUACIJSA-N 0 3 303.450 2.048 20 10 DECDHN CCOC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OCC)cc2[O-])C1 ZINC000769935722 641310361 /nfs/dbraw/zinc/31/03/61/641310361.db2.gz PZBKSLQCIHIUFK-CYBMUJFWSA-N 0 3 308.378 2.111 20 10 DECDHN CN1CCN(c2ccc(CNCc3ccc(F)cn3)cc2)CC1 ZINC000771844769 641559836 /nfs/dbraw/zinc/55/98/36/641559836.db2.gz WDXQJPLZBOQCLV-UHFFFAOYSA-N 0 3 314.408 2.262 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)CCCF)N(C)C)cc1 ZINC000899097694 641931202 /nfs/dbraw/zinc/93/12/02/641931202.db2.gz FKBQBUICPOYRIS-MRXNPFEDSA-N 0 3 324.444 2.356 20 10 DECDHN NC(=O)[C@@H](C[NH2+]Cc1ccccc1[O-])Cc1ccccc1Cl ZINC000776935425 642218563 /nfs/dbraw/zinc/21/85/63/642218563.db2.gz CDEWPAUHZGLKGH-CQSZACIVSA-N 0 3 318.804 2.479 20 10 DECDHN C[C@@H]1CCN(CCNC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000900911647 642513916 /nfs/dbraw/zinc/51/39/16/642513916.db2.gz AWTGEEXIBMBMFE-SNVBAGLBSA-N 0 3 320.414 2.384 20 10 DECDHN CCN1CCN(c2ccc(CNC3CSC3)cc2F)CC1 ZINC000780879367 642684012 /nfs/dbraw/zinc/68/40/12/642684012.db2.gz RJOLCHWVMRGDEU-UHFFFAOYSA-N 0 3 309.454 2.173 20 10 DECDHN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCCN2C2CC2)cc1 ZINC000786765133 643407058 /nfs/dbraw/zinc/40/70/58/643407058.db2.gz OSCKVIZXBPJWSM-KRWDZBQOSA-N 0 3 301.434 2.338 20 10 DECDHN CCOc1ccc(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c([O-])c1 ZINC000790618919 643873654 /nfs/dbraw/zinc/87/36/54/643873654.db2.gz LDINLIMRNIEBGK-CJNGLKHVSA-N 0 3 311.422 2.039 20 10 DECDHN CN(C)c1ccc(CN[C@H]2CCCNC2=O)c(C(F)(F)F)c1 ZINC000792947216 644172085 /nfs/dbraw/zinc/17/20/85/644172085.db2.gz YLQJKASWASPTCB-ZDUSSCGKSA-N 0 3 315.339 2.140 20 10 DECDHN CCOC1(C)CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000793544412 644270555 /nfs/dbraw/zinc/27/05/55/644270555.db2.gz WCGKDFZLDPLJDI-HNNXBMFYSA-N 0 3 307.390 2.209 20 10 DECDHN CN(CCCO)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000799739859 645216369 /nfs/dbraw/zinc/21/63/69/645216369.db2.gz RIIMOQNKRAQJAN-UHFFFAOYSA-N 0 3 307.394 2.399 20 10 DECDHN CC[C@H](C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)N(C)C ZINC000839918950 645298659 /nfs/dbraw/zinc/29/86/59/645298659.db2.gz DUPMJUZIWPLBGI-RHSMWYFYSA-N 0 3 305.466 2.448 20 10 DECDHN CC(C)[C@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCCO1 ZINC000840098921 645960885 /nfs/dbraw/zinc/96/08/85/645960885.db2.gz XSRRIZRIYSCXRY-DOTOQJQBSA-N 0 3 307.390 2.065 20 10 DECDHN CC(C)[C@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCCO1 ZINC000840098921 645960893 /nfs/dbraw/zinc/96/08/93/645960893.db2.gz XSRRIZRIYSCXRY-DOTOQJQBSA-N 0 3 307.390 2.065 20 10 DECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O)c1[O-] ZINC000808708714 646131894 /nfs/dbraw/zinc/13/18/94/646131894.db2.gz PDEQKDVBMWATOM-NXEZZACHSA-N 0 3 305.827 2.438 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)CC[S@](C)=O)c1[O-] ZINC000169091417 646603247 /nfs/dbraw/zinc/60/32/47/646603247.db2.gz DYXREEIKHZXJQN-ZRNGKTOUSA-N 0 3 305.827 2.301 20 10 DECDHN Cc1cc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)c(C)n1-c1ccccn1 ZINC000814143680 646853660 /nfs/dbraw/zinc/85/36/60/646853660.db2.gz AVPHCASZTSPLFZ-DOTOQJQBSA-N 0 3 324.428 2.265 20 10 DECDHN COC[C@](C)(CC(=O)OC)NCc1ccc(N(C)C)c(C)c1 ZINC000815072064 646963361 /nfs/dbraw/zinc/96/33/61/646963361.db2.gz CSHFYSDIRGLFSX-KRWDZBQOSA-N 0 3 308.422 2.119 20 10 DECDHN CC1(C)C[N@H+](Cc2ccc3ccccc3c2[O-])CCN1CCO ZINC000816584178 647155406 /nfs/dbraw/zinc/15/54/06/647155406.db2.gz DLYVMTGWTBYVJD-UHFFFAOYSA-N 0 3 314.429 2.434 20 10 DECDHN CC1(C)C[N@@H+](Cc2ccc3ccccc3c2[O-])CCN1CCO ZINC000816584178 647155409 /nfs/dbraw/zinc/15/54/09/647155409.db2.gz DLYVMTGWTBYVJD-UHFFFAOYSA-N 0 3 314.429 2.434 20 10 DECDHN COc1cccc([O-])c1C[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000816625090 647160242 /nfs/dbraw/zinc/16/02/42/647160242.db2.gz QXDUTDFQSJZMNJ-OAHLLOKOSA-N 0 3 301.386 2.436 20 10 DECDHN COc1cccc([O-])c1C[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000816625090 647160246 /nfs/dbraw/zinc/16/02/46/647160246.db2.gz QXDUTDFQSJZMNJ-OAHLLOKOSA-N 0 3 301.386 2.436 20 10 DECDHN COCCNCC[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000817964443 647395067 /nfs/dbraw/zinc/39/50/67/647395067.db2.gz CWCWROYYIUJWOS-SNVBAGLBSA-N 0 3 317.227 2.041 20 10 DECDHN CCN(CC)c1ccc(CN[C@@H]2CC(=O)N(CC)C2)cc1F ZINC000824887314 648667410 /nfs/dbraw/zinc/66/74/10/648667410.db2.gz ULJSPHHJJZBQJT-CQSZACIVSA-N 0 3 307.413 2.382 20 10 DECDHN C/C(=C\C(=O)N(CCN(C)C)c1ccccc1)c1cnccn1 ZINC000825510712 648773345 /nfs/dbraw/zinc/77/33/45/648773345.db2.gz FNFMRRMPLWRQII-FYWRMAATSA-N 0 3 310.401 2.475 20 10 DECDHN C[N@H+]1C[C@H]2[C@@H](CCN2Cc2ccc(Br)cc2[O-])C1 ZINC000825967129 648832506 /nfs/dbraw/zinc/83/25/06/648832506.db2.gz FHUAFARIBVTKSL-GWCFXTLKSA-N 0 3 311.223 2.291 20 10 DECDHN C[N@@H+]1C[C@H]2[C@@H](CCN2Cc2ccc(Br)cc2[O-])C1 ZINC000825967129 648832512 /nfs/dbraw/zinc/83/25/12/648832512.db2.gz FHUAFARIBVTKSL-GWCFXTLKSA-N 0 3 311.223 2.291 20 10 DECDHN CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000185021862 649423482 /nfs/dbraw/zinc/42/34/82/649423482.db2.gz WXXRTGHQWYFKMG-ZIAGYGMSSA-N 0 3 309.429 2.208 20 10 DECDHN CON(C)C(=O)[C@H](CCSC)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834680576 649829897 /nfs/dbraw/zinc/82/98/97/649829897.db2.gz AVYHGMZTCOMRMW-STQMWFEESA-N 0 3 324.446 2.111 20 10 DECDHN O=[S@](CC[NH2+][C@H]1CCc2cccc([O-])c21)CC(F)(F)F ZINC000850495204 651939437 /nfs/dbraw/zinc/93/94/37/651939437.db2.gz YGNKMQARPRPSIR-WVDJIFEKSA-N 0 3 307.337 2.280 20 10 DECDHN C[C@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)c1cc(F)ccc1[O-] ZINC000850558058 651952563 /nfs/dbraw/zinc/95/25/63/651952563.db2.gz SGTBBLOEAVXDCA-WFASDCNBSA-N 0 3 308.397 2.435 20 10 DECDHN C[C@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1ccccc1[O-] ZINC000850560483 651953672 /nfs/dbraw/zinc/95/36/72/651953672.db2.gz FJLFRWFYKGEYJG-UONOGXRCSA-N 0 3 303.406 2.333 20 10 DECDHN CNC(=O)[C@H]1CCC[C@H]1NCc1cc(F)c(N(C)C)cc1F ZINC000858154718 652267870 /nfs/dbraw/zinc/26/78/70/652267870.db2.gz PMAXJWMXRPXNFO-SMDDNHRTSA-N 0 3 311.376 2.035 20 10 DECDHN CCO[C@@H]1COCC[C@H]1NCc1cc(F)c(N(C)C)cc1F ZINC000858157561 652268616 /nfs/dbraw/zinc/26/86/16/652268616.db2.gz ZUALDYRHISILGB-GDBMZVCRSA-N 0 3 314.376 2.314 20 10 DECDHN COCC[C@@H](COC)NCc1cc(F)c(N(C)C)cc1F ZINC000858165338 652269309 /nfs/dbraw/zinc/26/93/09/652269309.db2.gz FTASKJBRIMUAMR-LBPRGKRZSA-N 0 3 302.365 2.172 20 10 DECDHN CN(C)c1cc(F)c(CNC2(CO)CCSCC2)cc1F ZINC000858177707 652272283 /nfs/dbraw/zinc/27/22/83/652272283.db2.gz NLLGJUJWMWKVPQ-UHFFFAOYSA-N 0 3 316.417 2.379 20 10 DECDHN OC1CCN(c2ccc(CNCc3ccnc(F)c3)cc2)CC1 ZINC000858195337 652276692 /nfs/dbraw/zinc/27/66/92/652276692.db2.gz SPKSVHZIZPDSOF-UHFFFAOYSA-N 0 3 315.392 2.472 20 10 DECDHN CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000858587169 685563144 /nfs/dbraw/zinc/56/31/44/685563144.db2.gz JFKFBUAURTVNDU-NXEZZACHSA-N 0 3 300.786 2.413 20 10 DECDHN COc1cc(Br)cc(C[NH2+]CC[C@H](C)O)c1[O-] ZINC000304109911 685246338 /nfs/dbraw/zinc/24/63/38/685246338.db2.gz FKAMRCKIRAWOLF-QMMMGPOBSA-N 0 3 304.184 2.024 20 10 DECDHN CCOc1ccc(CN[C@](C)(CO)c2cccc(O)c2)c(O)c1 ZINC000862432488 686302476 /nfs/dbraw/zinc/30/24/76/686302476.db2.gz FUAOHBPWHBCLNH-GOSISDBHSA-N 0 3 317.385 2.494 20 10 DECDHN [O-]c1cc2c(cc1C[NH2+][C@H](C1CCC1)[C@@H]1CCOC1)OCO2 ZINC000865762920 687326463 /nfs/dbraw/zinc/32/64/63/687326463.db2.gz YQQRFGNSFMDLFL-SJKOYZFVSA-N 0 3 305.374 2.416 20 10 DECDHN CC(=O)c1cc(F)cc(CN2CCC[C@@H]3C[NH2+]CC[C@H]32)c1[O-] ZINC000866716495 687664058 /nfs/dbraw/zinc/66/40/58/687664058.db2.gz PFXJPXDJCRWBND-MLGOLLRUSA-N 0 3 306.381 2.308 20 10 DECDHN CCCOc1ccc(CNC[C@@H]2CCCS2(=O)=O)cc1C ZINC000873080010 689155884 /nfs/dbraw/zinc/15/58/84/689155884.db2.gz JHRFLGDVCSDMCA-HNNXBMFYSA-N 0 3 311.447 2.451 20 10 DECDHN CCCOc1ccc(CN[C@H]2CCC(=O)N(C)C2=O)cc1C ZINC000873133693 689166709 /nfs/dbraw/zinc/16/67/09/689166709.db2.gz JECMIROKTFGAGT-AWEZNQCLSA-N 0 3 304.390 2.021 20 10 DECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000876809744 689943772 /nfs/dbraw/zinc/94/37/72/689943772.db2.gz IVLAQQQGFQAYMX-RHSMWYFYSA-N 0 3 315.417 2.380 20 10 DECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000876809744 689943775 /nfs/dbraw/zinc/94/37/75/689943775.db2.gz IVLAQQQGFQAYMX-RHSMWYFYSA-N 0 3 315.417 2.380 20 10 DECDHN CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)cc2[O-])[C@]12CCCO2 ZINC000877493294 690130202 /nfs/dbraw/zinc/13/02/02/690130202.db2.gz JWBGHXABMMMPIG-GVDBMIGSSA-N 0 3 307.390 2.217 20 10 DECDHN COCCOC1(C[NH2+]Cc2c(C)cccc2[O-])CCOCC1 ZINC000877558456 690151511 /nfs/dbraw/zinc/15/15/11/690151511.db2.gz IIHGXFMJURBOHU-UHFFFAOYSA-N 0 3 309.406 2.002 20 10 DECDHN CN1CCN(c2ccc(CNc3ncnc4[nH]ccc43)cc2)CC1 ZINC000882880515 691377506 /nfs/dbraw/zinc/37/75/06/691377506.db2.gz WPCNXEILZDLPOU-UHFFFAOYSA-N 0 3 322.416 2.322 20 10 DECDHN CN1CCN(c2ccc(CNCc3ccncc3F)cc2)CC1 ZINC000883283487 691471666 /nfs/dbraw/zinc/47/16/66/691471666.db2.gz HOSHUSAWNWYUCJ-UHFFFAOYSA-N 0 3 314.408 2.262 20 10 DECDHN NCc1nc2c(s1)CCN([C@H]1CCc3cccc(O)c31)C2 ZINC000925749156 693335237 /nfs/dbraw/zinc/33/52/37/693335237.db2.gz HLDOMQJXGNFHKQ-LBPRGKRZSA-N 0 3 301.415 2.353 20 10 DECDHN Cn1nnnc1CCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC001335577637 1150460417 /nfs/dbraw/zinc/46/04/17/1150460417.db2.gz HBAIPAZQPFOKNG-UHFFFAOYSA-N 0 3 323.400 2.305 20 10 DECDHN Cc1cc(Br)cc(CN2C[C@@H]3C[C@H]2CN3C)c1O ZINC001233110079 782216552 /nfs/dbraw/zinc/21/65/52/782216552.db2.gz RPLSEGABSHCMBT-STQMWFEESA-N 0 3 311.223 2.351 20 10 DECDHN COc1cc([O-])c(CN2CC[C@](C)([NH3+])C2)c(Br)c1 ZINC001204801790 779984310 /nfs/dbraw/zinc/98/43/10/779984310.db2.gz UXXIGLCVUHNTAH-ZDUSSCGKSA-N 0 3 315.211 2.086 20 10 DECDHN COc1ccc(CN[C@H](CO)c2cccc(F)c2)c(O)c1OC ZINC001333680348 1150078494 /nfs/dbraw/zinc/07/84/94/1150078494.db2.gz QFSUPNITKVXDKG-CQSZACIVSA-N 0 3 321.348 2.372 20 10 DECDHN CCOC(=O)[C@H]1CC[C@H]([N@H+](CC)Cc2ccccc2[O-])CO1 ZINC001169411376 785183378 /nfs/dbraw/zinc/18/33/78/785183378.db2.gz SFQVMOHTXIMRPM-GOEBONIOSA-N 0 3 307.390 2.325 20 10 DECDHN CCOC(=O)[C@H]1CC[C@H]([N@@H+](CC)Cc2ccccc2[O-])CO1 ZINC001169411376 785183380 /nfs/dbraw/zinc/18/33/80/785183380.db2.gz SFQVMOHTXIMRPM-GOEBONIOSA-N 0 3 307.390 2.325 20 10 DECDHN Cc1cc(Br)cc(C[NH2+][C@H](C)C[S@@](C)=O)c1[O-] ZINC001180305647 795270857 /nfs/dbraw/zinc/27/08/57/795270857.db2.gz NGLPHKXOCKUBAP-VVVCHXIZSA-N 0 3 320.252 2.320 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)NC(C)(C)CF)N(C)C)cc1 ZINC001119990906 795384469 /nfs/dbraw/zinc/38/44/69/795384469.db2.gz YWGIZJCCTUABMX-HNNXBMFYSA-N 0 3 324.444 2.403 20 10 DECDHN COCCCN1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204321120 795615216 /nfs/dbraw/zinc/61/52/16/795615216.db2.gz GWROIIWWADSCGE-UHFFFAOYSA-N 0 3 317.477 2.441 20 10 DECDHN COC[C@H]1CN(Cc2cccc(F)c2O)Cc2cn(C)nc21 ZINC001138125190 796167344 /nfs/dbraw/zinc/16/73/44/796167344.db2.gz KLBAOOZCVUPLQF-CYBMUJFWSA-N 0 3 305.353 2.011 20 10 DECDHN c1nnc2n1CCN(Cc1ccc(N3CCCCC3)cc1)CC2 ZINC001138215856 796184087 /nfs/dbraw/zinc/18/40/87/796184087.db2.gz YODOUSNVLMKOIJ-UHFFFAOYSA-N 0 3 311.433 2.327 20 10 DECDHN COc1cc(CN2CCC(=O)C[C@@H]2C)cc(CN(C)C)c1O ZINC001139256319 796350455 /nfs/dbraw/zinc/35/04/55/796350455.db2.gz YPVQSMNZMWKGMR-LBPRGKRZSA-N 0 3 306.406 2.016 20 10 DECDHN c1cc(CNCc2ccc(-c3nncnn3)cc2)cc2c1OCC2 ZINC001203018089 796496926 /nfs/dbraw/zinc/49/69/26/796496926.db2.gz IGMIJDZCYZFETM-UHFFFAOYSA-N 0 3 319.368 2.158 20 10 DECDHN CCNC(=O)[C@@H]1CCCN1Cc1ccc(N(CC)CC)cc1O ZINC001140855891 796584394 /nfs/dbraw/zinc/58/43/94/796584394.db2.gz DMOZZBKHURHBJV-INIZCTEOSA-N 0 3 319.449 2.339 20 10 DECDHN Oc1ccc(O)c(CN2CCCC[C@@](O)(C(F)(F)F)C2)c1 ZINC001141156458 796642288 /nfs/dbraw/zinc/64/22/88/796642288.db2.gz LAJZBBJINRESEM-ZDUSSCGKSA-N 0 3 305.296 2.377 20 10 DECDHN O=C1N(c2cccnc2)CC[C@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001203552055 800078552 /nfs/dbraw/zinc/07/85/52/800078552.db2.gz YPYMIGVHZDOTHM-IBGZPJMESA-N 0 3 323.396 2.416 20 10 DECDHN O=C1N(c2cccnc2)CC[C@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001203552055 800078561 /nfs/dbraw/zinc/07/85/61/800078561.db2.gz YPYMIGVHZDOTHM-IBGZPJMESA-N 0 3 323.396 2.416 20 10 DECDHN COc1cccc(C[N@H+](C(C)C)[C@@H]2CCN(C(C)=O)C2)c1[O-] ZINC001203600192 800087934 /nfs/dbraw/zinc/08/79/34/800087934.db2.gz WLJDVBJFOXWZSZ-OAHLLOKOSA-N 0 3 306.406 2.232 20 10 DECDHN COc1cccc(C[N@@H+](C(C)C)[C@@H]2CCN(C(C)=O)C2)c1[O-] ZINC001203600192 800087939 /nfs/dbraw/zinc/08/79/39/800087939.db2.gz WLJDVBJFOXWZSZ-OAHLLOKOSA-N 0 3 306.406 2.232 20 10 DECDHN COc1cccc(CN2CCC[C@H](Oc3cnccn3)C2)c1O ZINC001203601893 800088224 /nfs/dbraw/zinc/08/82/24/800088224.db2.gz PVINXEXJWIUKGW-AWEZNQCLSA-N 0 3 315.373 2.234 20 10 DECDHN COC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(OC)cc1[O-])C2 ZINC001203622960 800092287 /nfs/dbraw/zinc/09/22/87/800092287.db2.gz HBUYXTWEZAGMKC-QZTJIDSGSA-N 0 3 321.417 2.418 20 10 DECDHN COC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(OC)cc1[O-])C2 ZINC001203622960 800092294 /nfs/dbraw/zinc/09/22/94/800092294.db2.gz HBUYXTWEZAGMKC-QZTJIDSGSA-N 0 3 321.417 2.418 20 10 DECDHN O=C(C1CC[NH+](Cc2ccc(O)cc2[O-])CC1)N1CCCCC1 ZINC001204274493 800197942 /nfs/dbraw/zinc/19/79/42/800197942.db2.gz CETZMKAEUVPBIS-UHFFFAOYSA-N 0 3 318.417 2.322 20 10 DECDHN CCC(=O)N(CC)C1CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204277617 800198935 /nfs/dbraw/zinc/19/89/35/800198935.db2.gz GZKJIRWATCMMRA-UHFFFAOYSA-N 0 3 306.406 2.321 20 10 DECDHN CC(C)(C)OC(=O)N[C@H]1[C@H]2C[N@H+](Cc3ccc(O)cc3[O-])C[C@H]21 ZINC001204275782 800199444 /nfs/dbraw/zinc/19/94/44/800199444.db2.gz AWTVOSUJGLXORB-AGGWBTHJSA-N 0 3 320.389 2.053 20 10 DECDHN CC(C)(C)OC(=O)N[C@H]1[C@H]2C[N@@H+](Cc3ccc(O)cc3[O-])C[C@H]21 ZINC001204275782 800199445 /nfs/dbraw/zinc/19/94/45/800199445.db2.gz AWTVOSUJGLXORB-AGGWBTHJSA-N 0 3 320.389 2.053 20 10 DECDHN CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(O)cc1[O-] ZINC001204280012 800200565 /nfs/dbraw/zinc/20/05/65/800200565.db2.gz IRUGEFRVLNFJQM-UHFFFAOYSA-N 0 3 310.394 2.444 20 10 DECDHN CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(O)cc1[O-] ZINC001204280012 800200569 /nfs/dbraw/zinc/20/05/69/800200569.db2.gz IRUGEFRVLNFJQM-UHFFFAOYSA-N 0 3 310.394 2.444 20 10 DECDHN CNC(=O)NC1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204329017 800205684 /nfs/dbraw/zinc/20/56/84/800205684.db2.gz BKXWEVHBKUABAL-UHFFFAOYSA-N 0 3 316.449 2.180 20 10 DECDHN CCOC(=O)C[C@H]1CCCN(Cc2cc(OC)c(O)cc2O)C1 ZINC001231633881 801700241 /nfs/dbraw/zinc/70/02/41/801700241.db2.gz BVAXOICGNDLZHP-GFCCVEGCSA-N 0 3 323.389 2.272 20 10 DECDHN CN(Cc1ccc(N2CCOCC2)c(Cl)c1)[C@@H]1CCOC1 ZINC001232202984 801817077 /nfs/dbraw/zinc/81/70/77/801817077.db2.gz KTXNCSOXLCLJOZ-CQSZACIVSA-N 0 3 310.825 2.397 20 10 DECDHN Cc1cc(O[C@@H]2CC[NH2+]C2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001218038404 802135820 /nfs/dbraw/zinc/13/58/20/802135820.db2.gz IABJSUKPXZQSHS-LLVKDONJSA-N 0 3 323.348 2.217 20 10 DECDHN CC[N@H+](CCC(N)=O)Cc1c([O-])ccc2ccc(OC)cc21 ZINC001234552802 802413035 /nfs/dbraw/zinc/41/30/35/802413035.db2.gz ITWRUXXKOAANNO-UHFFFAOYSA-N 0 3 302.374 2.251 20 10 DECDHN CC[N@@H+](CCC(N)=O)Cc1c([O-])ccc2ccc(OC)cc21 ZINC001234552802 802413039 /nfs/dbraw/zinc/41/30/39/802413039.db2.gz ITWRUXXKOAANNO-UHFFFAOYSA-N 0 3 302.374 2.251 20 10 DECDHN COC1(CNCc2cc(F)c(N(C)C)cc2F)CCOCC1 ZINC001329009578 1148857259 /nfs/dbraw/zinc/85/72/59/1148857259.db2.gz ULXGEJZOYBPHQA-UHFFFAOYSA-N 0 3 314.376 2.316 20 10 DECDHN O=C(NCC(F)F)[C@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001272619628 1079016651 /nfs/dbraw/zinc/01/66/51/1079016651.db2.gz XFYBVTHXXYNWOQ-CYBMUJFWSA-N 0 3 324.371 2.376 20 10 DECDHN Cc1cc(C[NH+]2CCC(Cc3nnn[n-]3)CC2)ccc1N(C)C ZINC001560114421 1075131725 /nfs/dbraw/zinc/13/17/25/1075131725.db2.gz MYLQBBBXRPMFPA-UHFFFAOYSA-N 0 3 314.437 2.029 20 10 DECDHN Cc1cc(C[NH+]2CCC(Cc3nn[n-]n3)CC2)ccc1N(C)C ZINC001560114421 1075131731 /nfs/dbraw/zinc/13/17/31/1075131731.db2.gz MYLQBBBXRPMFPA-UHFFFAOYSA-N 0 3 314.437 2.029 20 10 DECDHN O=C(CNCc1ccc(N2CCCC2)cc1)NC1CCCC1 ZINC001655545822 1080003952 /nfs/dbraw/zinc/00/39/52/1080003952.db2.gz AQMVVMQGXUAJHC-UHFFFAOYSA-N 0 3 301.434 2.435 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)c([O-])c1 ZINC001657445179 1080174620 /nfs/dbraw/zinc/17/46/20/1080174620.db2.gz XGDFMPNSTOSFPQ-CYBMUJFWSA-N 0 3 318.417 2.200 20 10 DECDHN COc1cc(C)c(C[N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)c([O-])c1 ZINC001657445179 1080174627 /nfs/dbraw/zinc/17/46/27/1080174627.db2.gz XGDFMPNSTOSFPQ-CYBMUJFWSA-N 0 3 318.417 2.200 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c([O-])c1 ZINC001658638517 1080213421 /nfs/dbraw/zinc/21/34/21/1080213421.db2.gz PCTOQYBVRUXGCA-CQSZACIVSA-N 0 3 320.433 2.446 20 10 DECDHN COc1cc(C)c(C[N@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c([O-])c1 ZINC001658638517 1080213428 /nfs/dbraw/zinc/21/34/28/1080213428.db2.gz PCTOQYBVRUXGCA-CQSZACIVSA-N 0 3 320.433 2.446 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c([O-])c1 ZINC001658912023 1080221423 /nfs/dbraw/zinc/22/14/23/1080221423.db2.gz YUGQFMVATFZSEE-ZBFHGGJFSA-N 0 3 309.431 2.416 20 10 DECDHN COc1cc(C)c(C[N@H+]2CCS[C@H]3COCC[C@H]32)c([O-])c1 ZINC001658912023 1080221430 /nfs/dbraw/zinc/22/14/30/1080221430.db2.gz YUGQFMVATFZSEE-ZBFHGGJFSA-N 0 3 309.431 2.416 20 10 DECDHN CN(C)c1cc(F)c(CN[C@@H]2CC[C@H]([S@@](C)=O)C2)cc1F ZINC001663405858 1080741844 /nfs/dbraw/zinc/74/18/44/1080741844.db2.gz UMIHHZAGCVTPTB-SMDDFHAHSA-N 0 3 316.417 2.420 20 10 DECDHN CN(C)C(=O)[C@@H]1CCC[C@]12CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001277192786 1083839735 /nfs/dbraw/zinc/83/97/35/1083839735.db2.gz TTYGBGFPVJJLIQ-MAUKXSAKSA-N 0 3 318.417 2.178 20 10 DECDHN CN(C)C(=O)[C@@H]1CCC[C@]12CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001277192786 1083839739 /nfs/dbraw/zinc/83/97/39/1083839739.db2.gz TTYGBGFPVJJLIQ-MAUKXSAKSA-N 0 3 318.417 2.178 20 10 DECDHN Cc1ccc(C[NH+]2CCC3(C=C(C(N)=O)CC3)CC2)c([O-])c1 ZINC001277569485 1084039530 /nfs/dbraw/zinc/03/95/30/1084039530.db2.gz ZMLOAEJEHXPOMK-UHFFFAOYSA-N 0 3 300.402 2.488 20 10 DECDHN Cc1cc(CN2C[C@H]3CNC[C@@H](C2)O3)c(C)n1-c1ccccc1 ZINC001235339731 1084396050 /nfs/dbraw/zinc/39/60/50/1084396050.db2.gz YUTYAZHSUQFXEB-KDURUIRLSA-N 0 3 311.429 2.267 20 10 DECDHN CN1CCC2(C[NH+](Cc3ccc(C(C)(C)C)cc3[O-])C2)C1=O ZINC001235681620 1084496915 /nfs/dbraw/zinc/49/69/15/1084496915.db2.gz OIUCBOOJJVVSCU-UHFFFAOYSA-N 0 3 302.418 2.354 20 10 DECDHN CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1[O-])C2 ZINC001275266585 1091643957 /nfs/dbraw/zinc/64/39/57/1091643957.db2.gz BFHYLOSAHXAFPQ-ZFWWWQNUSA-N 0 3 303.406 2.016 20 10 DECDHN CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1[O-])C2 ZINC001275266585 1091643962 /nfs/dbraw/zinc/64/39/62/1091643962.db2.gz BFHYLOSAHXAFPQ-ZFWWWQNUSA-N 0 3 303.406 2.016 20 10 DECDHN Oc1ccc(CN2C[C@H]3CC[C@@H](C2)N3Cc2ccc[nH]2)c(O)c1 ZINC001275952789 1092369085 /nfs/dbraw/zinc/36/90/85/1092369085.db2.gz NSMNDTQQNMQUST-IYBDPMFKSA-N 0 3 313.401 2.275 20 10 DECDHN CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3ncccn3)C2)c([O-])c1 ZINC001237048653 1138488768 /nfs/dbraw/zinc/48/87/68/1138488768.db2.gz VFOCMTIQWSBTBL-OAHLLOKOSA-N 0 3 315.373 2.234 20 10 DECDHN CCOc1ccc(C[N@H+]2CC[C@@H](Oc3ncccn3)C2)c([O-])c1 ZINC001237048653 1138488772 /nfs/dbraw/zinc/48/87/72/1138488772.db2.gz VFOCMTIQWSBTBL-OAHLLOKOSA-N 0 3 315.373 2.234 20 10 DECDHN C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237054277 1138491121 /nfs/dbraw/zinc/49/11/21/1138491121.db2.gz YGBCODCDJIAVAO-KOLCDFICSA-N 0 3 305.296 2.288 20 10 DECDHN C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237054277 1138491124 /nfs/dbraw/zinc/49/11/24/1138491124.db2.gz YGBCODCDJIAVAO-KOLCDFICSA-N 0 3 305.296 2.288 20 10 DECDHN CN(C)c1ccc(CN2CCC[C@@H](C(=O)NC3CC3)C2)cc1F ZINC001319815320 1140736117 /nfs/dbraw/zinc/73/61/17/1140736117.db2.gz SBWRWZFBKKTRJK-CQSZACIVSA-N 0 3 319.424 2.382 20 10 DECDHN COC[C@](C)(CC(=O)OC)NCc1ccc(N2CCCC2)cc1 ZINC001320140233 1140828689 /nfs/dbraw/zinc/82/86/89/1140828689.db2.gz SVQRQYDYYOXZTO-SFHVURJKSA-N 0 3 320.433 2.345 20 10 DECDHN COc1ccc(C[NH2+]Cc2ccc([S@](C)=O)cc2)c([O-])c1 ZINC001321499735 1141289710 /nfs/dbraw/zinc/28/97/10/1141289710.db2.gz ADKXSKMVICTESJ-NRFANRHFSA-N 0 3 305.399 2.428 20 10 DECDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCCO3)c([O-])c1 ZINC001249177667 1141857098 /nfs/dbraw/zinc/85/70/98/1141857098.db2.gz ICDDBEJYIXBLSD-GOSISDBHSA-N 0 3 319.401 2.253 20 10 DECDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCCO3)c([O-])c1 ZINC001249177667 1141857099 /nfs/dbraw/zinc/85/70/99/1141857099.db2.gz ICDDBEJYIXBLSD-GOSISDBHSA-N 0 3 319.401 2.253 20 10 DECDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)c([O-])c1 ZINC001249178799 1141857292 /nfs/dbraw/zinc/85/72/92/1141857292.db2.gz VXUMLBHJOFMMQZ-PBHICJAKSA-N 0 3 319.401 2.109 20 10 DECDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)c([O-])c1 ZINC001249178799 1141857293 /nfs/dbraw/zinc/85/72/93/1141857293.db2.gz VXUMLBHJOFMMQZ-PBHICJAKSA-N 0 3 319.401 2.109 20 10 DECDHN CCOC1CC[NH+](Cc2ccc(CC(=O)OC)cc2[O-])CC1 ZINC001249201071 1141859362 /nfs/dbraw/zinc/85/93/62/1141859362.db2.gz CQUBYVDDOMILHU-UHFFFAOYSA-N 0 3 307.390 2.109 20 10 DECDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CCOC[C@@](C)(O)C3)ccc2O1 ZINC001249224463 1141862197 /nfs/dbraw/zinc/86/21/97/1141862197.db2.gz ZQIBLLVIFLCEPP-SFHVURJKSA-N 0 3 319.401 2.160 20 10 DECDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CCOC[C@@](C)(O)C3)ccc2O1 ZINC001249224463 1141862201 /nfs/dbraw/zinc/86/22/01/1141862201.db2.gz ZQIBLLVIFLCEPP-SFHVURJKSA-N 0 3 319.401 2.160 20 10 DECDHN CC1(C)C=Cc2c(O)c(CN3CCOC[C@@](C)(O)C3)ccc2O1 ZINC001249224463 1141862205 /nfs/dbraw/zinc/86/22/05/1141862205.db2.gz ZQIBLLVIFLCEPP-SFHVURJKSA-N 0 3 319.401 2.160 20 10 DECDHN COc1cccc(-c2noc(C[C@@H]([NH3+])c3ccccc3[O-])n2)n1 ZINC001249340291 1141876985 /nfs/dbraw/zinc/87/69/85/1141876985.db2.gz XNOBEBQJTRSGIJ-LLVKDONJSA-N 0 3 312.329 2.088 20 10 DECDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](CO)CC1CCOCC1)CC2 ZINC001324600442 1142136971 /nfs/dbraw/zinc/13/69/71/1142136971.db2.gz BXCPIJKXNNVCKA-GOEBONIOSA-N 0 3 305.418 2.394 20 10 DECDHN CC(C)(C)OC(=O)NOCCC[NH2+]Cc1cc(F)ccc1[O-] ZINC001336873834 1142609572 /nfs/dbraw/zinc/60/95/72/1142609572.db2.gz OLOOCXINLXCWFA-UHFFFAOYSA-N 0 3 314.357 2.467 20 10 DECDHN [O-]c1ccc(F)cc1CN1CCC([NH2+]C2CCOCC2)CC1 ZINC001338308753 1142846922 /nfs/dbraw/zinc/84/69/22/1142846922.db2.gz JUSFDPOIFHQHDC-UHFFFAOYSA-N 0 3 308.397 2.264 20 10 DECDHN NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccc(N2CCCC2)cc1 ZINC001338769022 1142876862 /nfs/dbraw/zinc/87/68/62/1142876862.db2.gz HMBNDMDXWNOPHG-SZMVWBNQSA-N 0 3 313.445 2.373 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)NCC2(C)CC2)N(C)C)cc1 ZINC001340490409 1143357405 /nfs/dbraw/zinc/35/74/05/1143357405.db2.gz GBDRULNZPHGUAI-MRXNPFEDSA-N 0 3 318.465 2.455 20 10 DECDHN CC[C@H](C)C[C@@H](N)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001341351570 1143588390 /nfs/dbraw/zinc/58/83/90/1143588390.db2.gz SZIKNGCTMLIBHK-JJRVBVJISA-N 0 3 319.449 2.154 20 10 DECDHN C[N@H+](Cc1ccccc1[O-])C1CCN(C(=O)C(F)(F)F)CC1 ZINC001255988992 1143819632 /nfs/dbraw/zinc/81/96/32/1143819632.db2.gz XCOGGBKPJKNBLW-UHFFFAOYSA-N 0 3 316.323 2.377 20 10 DECDHN C[N@@H+](Cc1ccccc1[O-])C1CCN(C(=O)C(F)(F)F)CC1 ZINC001255988992 1143819633 /nfs/dbraw/zinc/81/96/33/1143819633.db2.gz XCOGGBKPJKNBLW-UHFFFAOYSA-N 0 3 316.323 2.377 20 10 DECDHN CN(C)c1ccc(CN(C[C@H]2CN(C)C(=O)O2)C2CC2)cc1 ZINC001324926830 1147858829 /nfs/dbraw/zinc/85/88/29/1147858829.db2.gz BBFCFRHCPQSXKQ-MRXNPFEDSA-N 0 3 303.406 2.168 20 10 DECDHN CCNC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000090410745 185294687 /nfs/dbraw/zinc/29/46/87/185294687.db2.gz OUVWMFXSNXSBTO-DZGCQCFKSA-N 0 3 304.438 2.207 20 10 DECDHN CN1CCN(C)[C@H](CNCc2ccc(N3CCCCC3)cc2)C1 ZINC000264791408 530071118 /nfs/dbraw/zinc/07/11/18/530071118.db2.gz XFULVDKARHPDEK-LJQANCHMSA-N 0 3 316.493 2.012 20 10 DECDHN CCOc1cccc(CN2CCC(N3CCCC3=O)CC2)c1O ZINC000093087922 193201686 /nfs/dbraw/zinc/20/16/86/193201686.db2.gz UTFZEMFJKXZWTA-UHFFFAOYSA-N 0 3 318.417 2.378 20 10 DECDHN C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1cc(F)ccc1[O-] ZINC000371917461 533522908 /nfs/dbraw/zinc/52/29/08/533522908.db2.gz GBXJNBZTFDMCDJ-IAQYHMDHSA-N 0 3 319.380 2.448 20 10 DECDHN CC[C@H](NCc1cc(OC)c(OC)cc1O)[C@H](O)C(F)(F)F ZINC000271795486 129962626 /nfs/dbraw/zinc/96/26/26/129962626.db2.gz HSYJXJGMMFHWFB-ZANVPECISA-N 0 3 323.311 2.201 20 10 DECDHN [O-]c1ccc(F)cc1C[NH2+][C@H](CO)C[C@@H](O)c1ccccc1 ZINC000272507824 130036724 /nfs/dbraw/zinc/03/67/24/130036724.db2.gz WORQQOZOULUHQM-DOTOQJQBSA-N 0 3 305.349 2.106 20 10 DECDHN Cc1ccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c([O-])c1O ZINC000272714000 130057365 /nfs/dbraw/zinc/05/73/65/130057365.db2.gz FQHGZEPWJFTZJC-AWEZNQCLSA-N 0 3 318.417 2.497 20 10 DECDHN C[C@@H](NC[C@@H]1CCCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000284181581 131056929 /nfs/dbraw/zinc/05/69/29/131056929.db2.gz RGYJYSZPPWVRBV-KGLIPLIRSA-N 0 3 310.463 2.228 20 10 DECDHN Cc1cc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)n(C)n1 ZINC000284586392 131094425 /nfs/dbraw/zinc/09/44/25/131094425.db2.gz ZLJPBYUUADPMOA-HNNXBMFYSA-N 0 3 314.433 2.416 20 10 DECDHN C[C@@H](CN(C)C)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000287762924 131299295 /nfs/dbraw/zinc/29/92/95/131299295.db2.gz XQJYKZVUJDBBHY-AWEZNQCLSA-N 0 3 304.438 2.036 20 10 DECDHN COc1ccc(N2CCN([C@@H]3Cc4ccccc4[C@@H]3O)CC2)cc1 ZINC000026417417 401840423 /nfs/dbraw/zinc/84/04/23/401840423.db2.gz KRNQVHXWRABQQP-UXHICEINSA-N 0 3 324.424 2.476 20 10 DECDHN CCOc1cccc(C[NH2+][C@H](CO)Cc2ccccc2)c1[O-] ZINC000131533156 401852381 /nfs/dbraw/zinc/85/23/81/401852381.db2.gz MWGHKKCGZOPVAI-INIZCTEOSA-N 0 3 301.386 2.484 20 10 DECDHN CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000185029309 402318321 /nfs/dbraw/zinc/31/83/21/402318321.db2.gz DOYNUYZJKOBWAM-ZDUSSCGKSA-N 0 3 314.451 2.023 20 10 DECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)CN2CCN(C)CC2)c1 ZINC000185343728 402345052 /nfs/dbraw/zinc/34/50/52/402345052.db2.gz MFQBAEASVFBYTR-HZPDHXFCSA-N 0 3 305.466 2.235 20 10 DECDHN COc1ccc([O-])c(C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC000237204462 402399445 /nfs/dbraw/zinc/39/94/45/402399445.db2.gz SBBMVUKEPBABOR-NSHDSACASA-N 0 3 318.339 2.375 20 10 DECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)CCN2CCN(C)CC2)c1 ZINC000186602220 402446928 /nfs/dbraw/zinc/44/69/28/402446928.db2.gz DPXUTICCAXXKJB-LSDHHAIUSA-N 0 3 321.465 2.077 20 10 DECDHN C[C@H](CCN1CCN(C)CC1)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000186605629 402447390 /nfs/dbraw/zinc/44/73/90/402447390.db2.gz YPFXRFNXLQZLCT-ZIAGYGMSSA-N 0 3 309.429 2.208 20 10 DECDHN CC[C@H](C)[C@H](N)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000178724615 402530676 /nfs/dbraw/zinc/53/06/76/402530676.db2.gz INSZTQVEIGKQRB-YOEHRIQHSA-N 0 3 319.449 2.107 20 10 DECDHN Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179576083 402594915 /nfs/dbraw/zinc/59/49/15/402594915.db2.gz LYTGOCYSGWQRCK-INIZCTEOSA-N 0 3 301.390 2.071 20 10 DECDHN O=[N+]([O-])c1ccc([O-])c(CNC2CC[NH+](C3CCC3)CC2)c1 ZINC000263644080 402785876 /nfs/dbraw/zinc/78/58/76/402785876.db2.gz AWPHRWKNYUIKSZ-UHFFFAOYSA-N 0 3 305.378 2.407 20 10 DECDHN COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000183667949 402786823 /nfs/dbraw/zinc/78/68/23/402786823.db2.gz XVRXIYNFSGBYMK-HIFRSBDPSA-N 0 3 308.422 2.220 20 10 DECDHN COc1c([O-])c(CNCCC[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000278954588 402890462 /nfs/dbraw/zinc/89/04/62/402890462.db2.gz ZZGHRGNEAOQQOT-UHFFFAOYSA-N 0 3 311.382 2.129 20 10 DECDHN COc1c([O-])c(CNCCC[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000278954588 402890463 /nfs/dbraw/zinc/89/04/63/402890463.db2.gz ZZGHRGNEAOQQOT-UHFFFAOYSA-N 0 3 311.382 2.129 20 10 DECDHN COc1c([O-])c(C[NH2+]CCCN(C)C(C)C)ccc1[N+](=O)[O-] ZINC000278954588 402890464 /nfs/dbraw/zinc/89/04/64/402890464.db2.gz ZZGHRGNEAOQQOT-UHFFFAOYSA-N 0 3 311.382 2.129 20 10 DECDHN CCCOc1ccc(C[NH2+]Cc2cnn(CCOC)c2)c([O-])c1 ZINC000282131147 403125202 /nfs/dbraw/zinc/12/52/02/403125202.db2.gz VOFHIVXFDDZGEM-UHFFFAOYSA-N 0 3 319.405 2.314 20 10 DECDHN C[C@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)C(=O)NCCF ZINC000282904272 403163567 /nfs/dbraw/zinc/16/35/67/403163567.db2.gz WXEHREDCBFZCEQ-RYUDHWBXSA-N 0 3 308.397 2.396 20 10 DECDHN C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(F)cc1[O-] ZINC000282242032 403135883 /nfs/dbraw/zinc/13/58/83/403135883.db2.gz JCNWXLREPIPCSY-ZDUSSCGKSA-N 0 3 309.429 2.208 20 10 DECDHN [O-]c1cccc(Cl)c1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000271193935 403276735 /nfs/dbraw/zinc/27/67/35/403276735.db2.gz RTYZVDMXDWPLOC-CYBMUJFWSA-N 0 3 310.825 2.200 20 10 DECDHN C[C@H](c1ccccc1)[C@H](NCc1ccc(N(C)C)cc1)C(N)=O ZINC000292270983 403340730 /nfs/dbraw/zinc/34/07/30/403340730.db2.gz SFWURZRNXRSEEQ-KDOFPFPSSA-N 0 3 311.429 2.500 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]CCc2nccnc2C)c1[O-] ZINC000293734347 403551182 /nfs/dbraw/zinc/55/11/82/403551182.db2.gz VBIWUIZGRVDQEX-UHFFFAOYSA-N 0 3 307.781 2.485 20 10 DECDHN C[C@@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1cc2c(cc1[O-])CCCC2 ZINC000293979974 403614893 /nfs/dbraw/zinc/61/48/93/403614893.db2.gz BHVCUEASQBYIGH-WQVCFCJDSA-N 0 3 305.418 2.462 20 10 DECDHN CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])C1 ZINC000294630133 403723729 /nfs/dbraw/zinc/72/37/29/403723729.db2.gz FTYNGDOIRJQPOT-UONOGXRCSA-N 0 3 305.422 2.463 20 10 DECDHN C[C@@H]1C[C@@H](N2CCOCC2)CN1Cc1ccc(N(C)C)c(F)c1 ZINC000289655907 403991689 /nfs/dbraw/zinc/99/16/89/403991689.db2.gz MZTKCENHBJVDSI-GDBMZVCRSA-N 0 3 321.440 2.187 20 10 DECDHN Cc1cn[nH]c1CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000290557802 404219853 /nfs/dbraw/zinc/21/98/53/404219853.db2.gz XGXWANVWJIMMCF-UHFFFAOYSA-N 0 3 300.406 2.187 20 10 DECDHN C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1cc(F)ccc1[O-] ZINC000363870476 404232078 /nfs/dbraw/zinc/23/20/78/404232078.db2.gz VRRFZXUJEWDDAR-DGCLKSJQSA-N 0 3 304.369 2.194 20 10 DECDHN CCOc1cccc(C[NH+]2CCC(Cn3cncn3)CC2)c1[O-] ZINC000189974441 225069500 /nfs/dbraw/zinc/06/95/00/225069500.db2.gz VAAMCPZCYGNLGQ-UHFFFAOYSA-N 0 3 316.405 2.295 20 10 DECDHN CC[C@@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1ccc(C)cc1[O-] ZINC000280262026 280186624 /nfs/dbraw/zinc/18/66/24/280186624.db2.gz XGFZFGLSNHSGGW-CVEARBPZSA-N 0 3 319.449 2.081 20 10 DECDHN Cc1cccc(C[NH+]2CCC(C)(N3CCOCC3)CC2)c1[O-] ZINC000529663907 340767141 /nfs/dbraw/zinc/76/71/41/340767141.db2.gz MRWKKRXJOPXLBW-UHFFFAOYSA-N 0 3 304.434 2.387 20 10 DECDHN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCCN2)cc1F ZINC000236911713 520900516 /nfs/dbraw/zinc/90/05/16/520900516.db2.gz AJFFXJQSZDCUDJ-HNNXBMFYSA-N 0 3 307.413 2.430 20 10 DECDHN CCOc1ccc(O)c(CN2CCC(NC(=O)C3CC3)CC2)c1 ZINC000179916182 521143035 /nfs/dbraw/zinc/14/30/35/521143035.db2.gz VQDIHWLAZMTYJQ-UHFFFAOYSA-N 0 3 318.417 2.282 20 10 DECDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(C)CC1 ZINC000266138226 521317050 /nfs/dbraw/zinc/31/70/50/521317050.db2.gz LGLFAYAUQGSQBR-UHFFFAOYSA-N 0 3 303.450 2.443 20 10 DECDHN CN1CCC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000364992737 523788146 /nfs/dbraw/zinc/78/81/46/523788146.db2.gz DYOURYVBOCANFU-GQCTYLIASA-N 0 3 316.401 2.198 20 10 DECDHN Cc1cc(Br)cc(C[NH2+]C2(CO)CCC2)c1[O-] ZINC000180935508 526158057 /nfs/dbraw/zinc/15/80/57/526158057.db2.gz JMJONLBQKATABE-UHFFFAOYSA-N 0 3 300.196 2.468 20 10 DECDHN CC1([C@H]2CCC[N@H+](Cc3cc4c(cc3[O-])OCO4)C2)OCCO1 ZINC000272927316 535205394 /nfs/dbraw/zinc/20/53/94/535205394.db2.gz HIAPSGYDEHIHBG-ZDUSSCGKSA-N 0 3 321.373 2.096 20 10 DECDHN CC1([C@H]2CCC[N@@H+](Cc3cc4c(cc3[O-])OCO4)C2)OCCO1 ZINC000272927316 535205398 /nfs/dbraw/zinc/20/53/98/535205398.db2.gz HIAPSGYDEHIHBG-ZDUSSCGKSA-N 0 3 321.373 2.096 20 10 DECDHN CN(C)c1ccc(/C=C/CNCC2(S(C)(=O)=O)CCC2)cc1 ZINC000835055187 649872943 /nfs/dbraw/zinc/87/29/43/649872943.db2.gz WNDVXNPMWPEWRP-GQCTYLIASA-N 0 3 322.474 2.323 20 10 DECDHN COc1ccc(O)c(CN[C@@H](C)C(=O)Nc2cccnc2C)c1 ZINC000835070284 649875092 /nfs/dbraw/zinc/87/50/92/649875092.db2.gz HZOKDOLOTZGIAC-LBPRGKRZSA-N 0 3 315.373 2.221 20 10 DECDHN COc1cc(Cl)cc(CN[C@H]2C[C@H]3CCCCN3C2=O)c1O ZINC000835074982 649875924 /nfs/dbraw/zinc/87/59/24/649875924.db2.gz UDZTXUSPSZNCOF-OLZOCXBDSA-N 0 3 324.808 2.297 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@H]2C[C@H]3CCCCN3C2=O)c1[O-] ZINC000835074982 649875926 /nfs/dbraw/zinc/87/59/26/649875926.db2.gz UDZTXUSPSZNCOF-OLZOCXBDSA-N 0 3 324.808 2.297 20 10 DECDHN Cc1nocc1CNCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001330600476 1149208119 /nfs/dbraw/zinc/20/81/19/1149208119.db2.gz ISODEWHBEHLWAV-UHFFFAOYSA-N 0 3 318.396 2.164 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)c2cc(F)c[nH]2)N(C)C)cc1 ZINC000891246205 623790014 /nfs/dbraw/zinc/79/00/14/623790014.db2.gz ACUTVAPYPOSUJA-INIZCTEOSA-N 0 3 318.396 2.253 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)c2cncs2)N(C)C)cc1 ZINC000891247106 623791025 /nfs/dbraw/zinc/79/10/25/623791025.db2.gz FBWNVTJCXWZLQP-AWEZNQCLSA-N 0 3 318.446 2.242 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)COC(C)(C)C)N(C)C)cc1 ZINC000891248680 623794598 /nfs/dbraw/zinc/79/45/98/623794598.db2.gz MUYVSFXPTKSYSB-MRXNPFEDSA-N 0 3 321.465 2.287 20 10 DECDHN Cc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)on1 ZINC000891251655 623798826 /nfs/dbraw/zinc/79/88/26/623798826.db2.gz DBQXUTGABYRTRX-HNNXBMFYSA-N 0 3 316.405 2.082 20 10 DECDHN COc1ccc(CN[C@@H]2c3ccccc3C[C@H]2O)c(O)c1OC ZINC000893126745 625128584 /nfs/dbraw/zinc/12/85/84/625128584.db2.gz BNILEYVSTAYLAZ-GDBMZVCRSA-N 0 3 315.369 2.157 20 10 DECDHN COc1ccc(O)c([C@@H](C)NCC(=O)N2CCCCCC2)c1 ZINC000182313712 625252924 /nfs/dbraw/zinc/25/29/24/625252924.db2.gz LRTWDPZGSFHVFS-CYBMUJFWSA-N 0 3 306.406 2.454 20 10 DECDHN COc1ccc(CN2CCOCC3(CCC3)C2)c(O)c1OC ZINC000893584124 634842872 /nfs/dbraw/zinc/84/28/72/634842872.db2.gz MTANPVKKLHUONT-UHFFFAOYSA-N 0 3 307.390 2.412 20 10 DECDHN C[C@@H](NCc1cnc2n1CCOC2)c1ccc(N(C)C)cc1 ZINC000922014112 635808524 /nfs/dbraw/zinc/80/85/24/635808524.db2.gz FXVYZNCFJNEJTJ-CYBMUJFWSA-N 0 3 300.406 2.330 20 10 DECDHN COC(=O)[C@@H]1[C@@H](CNCc2ccc(N(C)C)c(F)c2)C1(F)F ZINC000894207992 636435062 /nfs/dbraw/zinc/43/50/62/636435062.db2.gz CELCVDVORIJDLR-MFKMUULPSA-N 0 3 316.323 2.036 20 10 DECDHN CC[C@@H]1C[C@H]1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000894589116 637119185 /nfs/dbraw/zinc/11/91/85/637119185.db2.gz YEZNICTWYISLTM-KBRIMQKVSA-N 0 3 318.465 2.453 20 10 DECDHN CCn1cc(CN[C@@H](C)Cc2ccc(N(C)C)cc2C)nn1 ZINC000894940600 637341106 /nfs/dbraw/zinc/34/11/06/637341106.db2.gz UMVISIOHLHQEQT-AWEZNQCLSA-N 0 3 301.438 2.393 20 10 DECDHN CN1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1(C)C ZINC000895564444 638085165 /nfs/dbraw/zinc/08/51/65/638085165.db2.gz FXMPQMJFIRHOLG-UHFFFAOYSA-N 0 3 321.440 2.188 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@@H](CO)C[C@@H]2CCCO2)c1[O-] ZINC000895750244 638179140 /nfs/dbraw/zinc/17/91/40/638179140.db2.gz YIYMKCQTKDTFGR-OLZOCXBDSA-N 0 3 315.797 2.074 20 10 DECDHN CCOc1ccc(C[N@H+](C[C@H]2CCC(=O)N2)C(C)C)c([O-])c1 ZINC000840977929 650398633 /nfs/dbraw/zinc/39/86/33/650398633.db2.gz YQIVLGAPAWGBLI-CQSZACIVSA-N 0 3 306.406 2.280 20 10 DECDHN CCOc1ccc(C[N@@H+](C[C@H]2CCC(=O)N2)C(C)C)c([O-])c1 ZINC000840977929 650398634 /nfs/dbraw/zinc/39/86/34/650398634.db2.gz YQIVLGAPAWGBLI-CQSZACIVSA-N 0 3 306.406 2.280 20 10 DECDHN CC(C)OC1CN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000895954819 638283573 /nfs/dbraw/zinc/28/35/73/638283573.db2.gz IDVQMIMTGADWFY-UHFFFAOYSA-N 0 3 303.450 2.048 20 10 DECDHN CN(C)c1ccc([C@H](N)C[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000841044922 650413733 /nfs/dbraw/zinc/41/37/33/650413733.db2.gz FYDYSLROCQONAR-MRXNPFEDSA-N 0 3 303.381 2.387 20 10 DECDHN Cc1ccc(C[NH2+]CC2CCC(S(C)(=O)=O)CC2)c([O-])c1 ZINC000896247984 638429379 /nfs/dbraw/zinc/42/93/79/638429379.db2.gz AXLBLHOKHXVODB-UHFFFAOYSA-N 0 3 311.447 2.394 20 10 DECDHN C[C@@H]1C[C@@H]([NH2+]CCN2CCOC[C@H]2C)c2c1c(F)ccc2[O-] ZINC000756536845 639670403 /nfs/dbraw/zinc/67/04/03/639670403.db2.gz VZJQQAISWNVENH-YRGRVCCFSA-N 0 3 308.397 2.390 20 10 DECDHN CCS(=O)(=O)CC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756537797 639670545 /nfs/dbraw/zinc/67/05/45/639670545.db2.gz ZWARAXXGJAPANW-ONGXEEELSA-N 0 3 301.383 2.104 20 10 DECDHN C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(N)=O)nc2)c2c1c(F)ccc2[O-] ZINC000756641821 639681263 /nfs/dbraw/zinc/68/12/63/639681263.db2.gz YLUXRAKTJSWGBG-RNCFNFMXSA-N 0 3 315.348 2.363 20 10 DECDHN [O-]c1cc2c(cc1C[NH+]1CCC(OC3CCC3)CC1)[C@H](O)CO2 ZINC000841685047 650539319 /nfs/dbraw/zinc/53/93/19/650539319.db2.gz DGENQHTTXWTKQF-QGZVFWFLSA-N 0 3 319.401 2.352 20 10 DECDHN C[C@@H]1[C@H](C)NCCN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841710481 650547015 /nfs/dbraw/zinc/54/70/15/650547015.db2.gz WNBIFTHDQJIBPT-LSDHHAIUSA-N 0 3 316.449 2.179 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCN(CC(F)F)C2)c1[O-] ZINC000841893462 650595271 /nfs/dbraw/zinc/59/52/71/650595271.db2.gz FKQPMEDNJVFFJQ-NSHDSACASA-N 0 3 320.767 2.483 20 10 DECDHN C[C@@H]1CN(CCO)[C@H](C)CN1C/C=C/c1ccc(N(C)C)cc1 ZINC000841892204 650595401 /nfs/dbraw/zinc/59/54/01/650595401.db2.gz VBQIXCQXDUAGKJ-SDKBWNRFSA-N 0 3 317.477 2.153 20 10 DECDHN O=S1(=O)C[C@H]2C[N@H+](Cc3ccc4ccccc4c3[O-])C[C@H]2C1 ZINC000897617798 640869153 /nfs/dbraw/zinc/86/91/53/640869153.db2.gz CRSYKLVDDLAPFS-GASCZTMLSA-N 0 3 317.410 2.022 20 10 DECDHN O=S1(=O)C[C@H]2C[N@@H+](Cc3ccc4ccccc4c3[O-])C[C@H]2C1 ZINC000897617798 640869154 /nfs/dbraw/zinc/86/91/54/640869154.db2.gz CRSYKLVDDLAPFS-GASCZTMLSA-N 0 3 317.410 2.022 20 10 DECDHN COc1cc(Br)cc(C[N@H+](CCO)C(C)C)c1[O-] ZINC000768173784 641056469 /nfs/dbraw/zinc/05/64/69/641056469.db2.gz FSAWWXPPECNJMB-UHFFFAOYSA-N 0 3 318.211 2.366 20 10 DECDHN COc1cc(Br)cc(C[N@@H+](CCO)C(C)C)c1[O-] ZINC000768173784 641056472 /nfs/dbraw/zinc/05/64/72/641056472.db2.gz FSAWWXPPECNJMB-UHFFFAOYSA-N 0 3 318.211 2.366 20 10 DECDHN COc1cccc(C[N@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)c1 ZINC000768438622 641080739 /nfs/dbraw/zinc/08/07/39/641080739.db2.gz VYYWXDLDKQRBHG-KRWDZBQOSA-N 0 3 315.369 2.459 20 10 DECDHN COc1cccc(C[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)c1 ZINC000768438622 641080744 /nfs/dbraw/zinc/08/07/44/641080744.db2.gz VYYWXDLDKQRBHG-KRWDZBQOSA-N 0 3 315.369 2.459 20 10 DECDHN COCC[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C1CCCC1 ZINC000768445628 641082270 /nfs/dbraw/zinc/08/22/70/641082270.db2.gz RUIDBBVMFXKQBA-MRXNPFEDSA-N 0 3 307.390 2.209 20 10 DECDHN COCC[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C1CCCC1 ZINC000768445628 641082274 /nfs/dbraw/zinc/08/22/74/641082274.db2.gz RUIDBBVMFXKQBA-MRXNPFEDSA-N 0 3 307.390 2.209 20 10 DECDHN CCN1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C ZINC000769381412 641229736 /nfs/dbraw/zinc/22/97/36/641229736.db2.gz OFJRHPHKDXRGAR-OAHLLOKOSA-N 0 3 321.440 2.188 20 10 DECDHN COc1c([O-])c(C[NH2+]C2CCN(C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000774970926 641989173 /nfs/dbraw/zinc/98/91/73/641989173.db2.gz WMLFXZCBRXSIJZ-UHFFFAOYSA-N 0 3 323.393 2.271 20 10 DECDHN CCOc1ccc(C[NH+]2CCC3(CCN(C)C3=O)CC2)c([O-])c1 ZINC000775203871 642015715 /nfs/dbraw/zinc/01/57/15/642015715.db2.gz JHKQNCVBXMWPTH-UHFFFAOYSA-N 0 3 318.417 2.235 20 10 DECDHN C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@H](C)O1 ZINC000775634392 642069413 /nfs/dbraw/zinc/06/94/13/642069413.db2.gz RYPMIJUHAMZMLT-IYBDPMFKSA-N 0 3 303.450 2.048 20 10 DECDHN [O-]c1c(Cl)cccc1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000775645699 642071528 /nfs/dbraw/zinc/07/15/28/642071528.db2.gz FQTNIWBDZGZCAJ-CQSZACIVSA-N 0 3 310.825 2.342 20 10 DECDHN C[C@@H]1OCCN(Cc2ccc(N3CCN(C)CC3)cc2)[C@H]1C ZINC000775701383 642080913 /nfs/dbraw/zinc/08/09/13/642080913.db2.gz UPANDSCHZYYWRM-HOTGVXAUSA-N 0 3 303.450 2.048 20 10 DECDHN COc1cc(O)c(CN[C@@](C)(CO)c2ccccc2)cc1OC ZINC000776175802 642138982 /nfs/dbraw/zinc/13/89/82/642138982.db2.gz SGCZZNNEHCLMMW-SFHVURJKSA-N 0 3 317.385 2.407 20 10 DECDHN CCN(CC)c1ccc(CN(C)CCNC(=O)N(C)C)cc1 ZINC000779431901 642499132 /nfs/dbraw/zinc/49/91/32/642499132.db2.gz HGIAMCBVMNKVBC-UHFFFAOYSA-N 0 3 306.454 2.236 20 10 DECDHN COC(=O)c1ccc([O-])c([C@@H](C)NC[C@H]2CCCCC[NH2+]2)c1 ZINC000902482109 643057009 /nfs/dbraw/zinc/05/70/09/643057009.db2.gz JFNCQIAJKAWRSL-TZMCWYRMSA-N 0 3 306.406 2.362 20 10 DECDHN Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H](C)c1cn(C)nn1 ZINC000903024064 643229166 /nfs/dbraw/zinc/22/91/66/643229166.db2.gz KDWGEOPZLRDRIY-KBPBESRZSA-N 0 3 301.438 2.471 20 10 DECDHN COc1ccc(N2CC[C@H](CN[C@@H](C)c3cn(C)nn3)C2)cc1 ZINC000903026661 643230397 /nfs/dbraw/zinc/23/03/97/643230397.db2.gz RDZCZLSGOHGFDD-UONOGXRCSA-N 0 3 315.421 2.001 20 10 DECDHN C[C@@H](NCc1ccnc(N)c1)c1ccc(N2CCOCC2)cc1 ZINC000785780881 643281069 /nfs/dbraw/zinc/28/10/69/643281069.db2.gz KFYMJWAHYYNPON-CQSZACIVSA-N 0 3 312.417 2.351 20 10 DECDHN COc1cccc([O-])c1C[NH2+][C@@H](CO)Cc1cccc(C)c1 ZINC000786165797 643334266 /nfs/dbraw/zinc/33/42/66/643334266.db2.gz YYIVJZAOFLNXOK-OAHLLOKOSA-N 0 3 301.386 2.402 20 10 DECDHN C[C@H]1C[C@@H]([NH2+]CCCc2ncn(C)n2)c2c1c(F)ccc2[O-] ZINC000842899974 650848038 /nfs/dbraw/zinc/84/80/38/650848038.db2.gz CVIROGVPNHHPML-CMPLNLGQSA-N 0 3 304.369 2.431 20 10 DECDHN CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000790616318 643872723 /nfs/dbraw/zinc/87/27/23/643872723.db2.gz VSVIGDQDRXGHKO-CYBMUJFWSA-N 0 3 306.406 2.482 20 10 DECDHN CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000790616318 643872726 /nfs/dbraw/zinc/87/27/26/643872726.db2.gz VSVIGDQDRXGHKO-CYBMUJFWSA-N 0 3 306.406 2.482 20 10 DECDHN CO[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)C[C@@H]1OC ZINC000792713622 644141781 /nfs/dbraw/zinc/14/17/81/644141781.db2.gz MDAPIKCVUJXKAH-GASCZTMLSA-N 0 3 309.406 2.241 20 10 DECDHN CCN(CC)c1ccc(CN2CCN(C[C@@H](C)O)C[C@H]2C)cc1 ZINC000793591016 644277168 /nfs/dbraw/zinc/27/71/68/644277168.db2.gz QKJRSBKOOFZQJA-IAGOWNOFSA-N 0 3 319.493 2.420 20 10 DECDHN COc1ccc(CNC(=O)[C@H](C)N2CCCCCC2)c(O)c1 ZINC000794378332 644405385 /nfs/dbraw/zinc/40/53/85/644405385.db2.gz VAEJNJZWEGPPRC-ZDUSSCGKSA-N 0 3 306.406 2.282 20 10 DECDHN CC(C)(C(=O)NCCc1ccc(O)c(O)c1)N1CCCCC1 ZINC000907058510 644432670 /nfs/dbraw/zinc/43/26/70/644432670.db2.gz YTIVLQYZTGMMAC-UHFFFAOYSA-N 0 3 306.406 2.021 20 10 DECDHN C[C@@H]1CN(Cc2cc3c(cc2O)CCC3)C[C@]2(CCOC2)O1 ZINC000794704803 644462278 /nfs/dbraw/zinc/46/22/78/644462278.db2.gz NSNBLSIWJSCWEA-ACJLOTCBSA-N 0 3 303.402 2.261 20 10 DECDHN Cc1cc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)ccc1N(C)C ZINC000815037898 646958421 /nfs/dbraw/zinc/95/84/21/646958421.db2.gz YUOPLAZQXIKCSY-RTBURBONSA-N 0 3 317.477 2.092 20 10 DECDHN CCN(C)c1ccc(CN2CCN(C[C@@H](C)O)C[C@H]2C)cc1 ZINC000815094433 646967645 /nfs/dbraw/zinc/96/76/45/646967645.db2.gz AUMXKCIHIXOOBB-HZPDHXFCSA-N 0 3 305.466 2.030 20 10 DECDHN C[C@H]1C[C@@H]([NH2+]CCCc2cnn(C)n2)c2c1c(F)ccc2[O-] ZINC000815639972 647037603 /nfs/dbraw/zinc/03/76/03/647037603.db2.gz MIBUZXHWMZCBQE-GXFFZTMASA-N 0 3 304.369 2.431 20 10 DECDHN C[C@H]1CCC[N@H+](CCNC(=O)NCc2c([O-])cccc2F)C1 ZINC000914075678 647145891 /nfs/dbraw/zinc/14/58/91/647145891.db2.gz FJDYCVUVZQTYEM-LBPRGKRZSA-N 0 3 309.385 2.062 20 10 DECDHN C[C@H]1CCC[N@@H+](CCNC(=O)NCc2c([O-])cccc2F)C1 ZINC000914075678 647145893 /nfs/dbraw/zinc/14/58/93/647145893.db2.gz FJDYCVUVZQTYEM-LBPRGKRZSA-N 0 3 309.385 2.062 20 10 DECDHN COc1ccc(N2CC[C@@H](CNCc3ccc(C)nn3)C2)cc1 ZINC000818219184 647434588 /nfs/dbraw/zinc/43/45/88/647434588.db2.gz ABOZARQIGISTSF-HNNXBMFYSA-N 0 3 312.417 2.410 20 10 DECDHN C[C@](O)(CNCc1ccc(N2CC=CC2)cc1)C(F)(F)F ZINC000819095860 647582037 /nfs/dbraw/zinc/58/20/37/647582037.db2.gz VMOLAVRCASKAKK-AWEZNQCLSA-N 0 3 300.324 2.466 20 10 DECDHN CC[NH+]1CCC(CNC(=O)NCc2c([O-])cccc2F)CC1 ZINC000916032183 647831491 /nfs/dbraw/zinc/83/14/91/647831491.db2.gz KOFCEAZYSHEFJX-UHFFFAOYSA-N 0 3 309.385 2.062 20 10 DECDHN CCCC(=O)NC1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000917448909 648002827 /nfs/dbraw/zinc/00/28/27/648002827.db2.gz KHCCWIOGQTXCSK-UHFFFAOYSA-N 0 3 320.389 2.002 20 10 DECDHN Cc1cc(Cl)cc(C[NH+]2CCC3(CNC(=O)N3C)CC2)c1[O-] ZINC000822530340 648226249 /nfs/dbraw/zinc/22/62/49/648226249.db2.gz YCZNMSROOGDLPA-UHFFFAOYSA-N 0 3 323.824 2.344 20 10 DECDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)CCN(C)C ZINC000840479650 648425056 /nfs/dbraw/zinc/42/50/56/648425056.db2.gz QGFKWAOWSCQPSE-OAHLLOKOSA-N 0 3 320.481 2.195 20 10 DECDHN CCN(CC)c1ccc(CN(C)C(=O)[C@@H](N)CC(F)F)cc1 ZINC000826020824 648839901 /nfs/dbraw/zinc/83/99/01/648839901.db2.gz XKGMGSCQYFHRIM-AWEZNQCLSA-N 0 3 313.392 2.474 20 10 DECDHN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](N)Cc2ccccc2)c1 ZINC000828666558 649207774 /nfs/dbraw/zinc/20/77/74/649207774.db2.gz GCUGICKLXFJYQZ-MLGOLLRUSA-N 0 3 314.385 2.148 20 10 DECDHN Cc1cc(CN2CCOC[C@@H](O)C2)ccc1N1CCCCC1 ZINC000830638427 649472027 /nfs/dbraw/zinc/47/20/27/649472027.db2.gz FFWIJOZCEFGXEG-KRWDZBQOSA-N 0 3 304.434 2.178 20 10 DECDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](C)O)c1[O-] ZINC000848514718 651465563 /nfs/dbraw/zinc/46/55/63/651465563.db2.gz PILKFQVGCTTZPT-SFYZADRCSA-N 0 3 304.184 2.195 20 10 DECDHN COc1ccc(N2C[C@@H]([NH2+]Cc3ccccc3[O-])CC2=O)cc1 ZINC000850359862 651910595 /nfs/dbraw/zinc/91/05/95/651910595.db2.gz UQMVWURRJQDUBU-AWEZNQCLSA-N 0 3 312.369 2.296 20 10 DECDHN CC[C@H](NCc1n[nH]c(COC)n1)c1ccc(N(C)C)cc1 ZINC000850515542 651942383 /nfs/dbraw/zinc/94/23/83/651942383.db2.gz YFAHGMPOTRVHMB-AWEZNQCLSA-N 0 3 303.410 2.258 20 10 DECDHN C[C@H]([NH2+]CCN1C[C@@H]2CCCCN2C1=O)c1ccccc1[O-] ZINC000850560479 651953875 /nfs/dbraw/zinc/95/38/75/651953875.db2.gz FJLFRWFYKGEYJG-KBPBESRZSA-N 0 3 303.406 2.333 20 10 DECDHN Nc1ccc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)cc1 ZINC000851633630 652193361 /nfs/dbraw/zinc/19/33/61/652193361.db2.gz OXZVURAIVBXHFZ-VXGBXAGGSA-N 0 3 318.295 2.191 20 10 DECDHN CCOP(=O)(OCC)[C@@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000851840877 652256389 /nfs/dbraw/zinc/25/63/89/652256389.db2.gz KMWCWLOQWLVMOB-CQSZACIVSA-N 0 3 317.322 2.409 20 10 DECDHN CCOP(=O)(OCC)[C@@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000851840877 652256390 /nfs/dbraw/zinc/25/63/90/652256390.db2.gz KMWCWLOQWLVMOB-CQSZACIVSA-N 0 3 317.322 2.409 20 10 DECDHN C[C@@H](CC[S@@](C)=O)NCc1cc(F)c(N(C)C)cc1F ZINC000858149606 652266670 /nfs/dbraw/zinc/26/66/70/652266670.db2.gz PNWDGZIYXCMTNJ-WVDJIFEKSA-N 0 3 304.406 2.278 20 10 DECDHN Cc1cncc(CCNCc2cc(F)c(N(C)C)cc2F)n1 ZINC000858192345 652276613 /nfs/dbraw/zinc/27/66/13/652276613.db2.gz LBPDDABREJXKBQ-UHFFFAOYSA-N 0 3 306.360 2.462 20 10 DECDHN C[N@H+](CCc1nc2ccccc2c(=O)[nH]1)Cc1ccccc1[O-] ZINC000111235185 652535155 /nfs/dbraw/zinc/53/51/55/652535155.db2.gz OQAGUQYKYGSSSJ-UHFFFAOYSA-N 0 3 309.369 2.303 20 10 DECDHN C[N@@H+](CCc1nc2ccccc2c(=O)[nH]1)Cc1ccccc1[O-] ZINC000111235185 652535156 /nfs/dbraw/zinc/53/51/56/652535156.db2.gz OQAGUQYKYGSSSJ-UHFFFAOYSA-N 0 3 309.369 2.303 20 10 DECDHN Cc1cc(C(=O)NC[C@H]2CCCN2C)c(C)n1-c1ccccn1 ZINC000194697704 685075716 /nfs/dbraw/zinc/07/57/16/685075716.db2.gz ZILZOFSUYAJEJE-OAHLLOKOSA-N 0 3 312.417 2.313 20 10 DECDHN C[N@H+]1C[C@H]2[C@@H](CCN2Cc2c([O-])cccc2Br)C1 ZINC000862372761 686285226 /nfs/dbraw/zinc/28/52/26/686285226.db2.gz AFEJPMYHKNKNGR-GWCFXTLKSA-N 0 3 311.223 2.291 20 10 DECDHN C[N@@H+]1C[C@H]2[C@@H](CCN2Cc2c([O-])cccc2Br)C1 ZINC000862372761 686285230 /nfs/dbraw/zinc/28/52/30/686285230.db2.gz AFEJPMYHKNKNGR-GWCFXTLKSA-N 0 3 311.223 2.291 20 10 DECDHN COc1cc(CN(C)[C@@]2(CO)CCOC2)c(O)c(C(C)(C)C)c1 ZINC000862427721 686300759 /nfs/dbraw/zinc/30/07/59/686300759.db2.gz DONZCNYPLKXALR-GOSISDBHSA-N 0 3 323.433 2.282 20 10 DECDHN COC(=O)[C@]1(OC)CCN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000862475814 686307987 /nfs/dbraw/zinc/30/79/87/686307987.db2.gz YCAZKSIKERRUFB-QWNKOJSDSA-N 0 3 318.417 2.030 20 10 DECDHN COC(=O)[C@@]1(OC)CCN(Cc2cc(Cl)cc(C)c2O)C1 ZINC000862475274 686308130 /nfs/dbraw/zinc/30/81/30/686308130.db2.gz FQURRWMJQCRESB-OAHLLOKOSA-N 0 3 313.781 2.118 20 10 DECDHN COC(=O)[C@@]1(OC)CC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000862475274 686308135 /nfs/dbraw/zinc/30/81/35/686308135.db2.gz FQURRWMJQCRESB-OAHLLOKOSA-N 0 3 313.781 2.118 20 10 DECDHN COC(=O)[C@@]1(OC)CC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000862475274 686308139 /nfs/dbraw/zinc/30/81/39/686308139.db2.gz FQURRWMJQCRESB-OAHLLOKOSA-N 0 3 313.781 2.118 20 10 DECDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CCN(C2CCC2)C1=O ZINC000862550892 686321248 /nfs/dbraw/zinc/32/12/48/686321248.db2.gz OEMWOODMUZOCQF-QGZVFWFLSA-N 0 3 301.434 2.304 20 10 DECDHN [NH3+]C[C@@H]1CN(Cc2cccc(F)c2[O-])CC[C@H]1C(F)(F)F ZINC000863645469 686539478 /nfs/dbraw/zinc/53/94/78/686539478.db2.gz IBWCUICTILEQQO-GHMZBOCLSA-N 0 3 306.303 2.490 20 10 DECDHN C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccccc1[O-] ZINC000872120246 688932038 /nfs/dbraw/zinc/93/20/38/688932038.db2.gz PMULOYOWPXMVSV-RLAWYHOSSA-N 0 3 309.431 2.399 20 10 DECDHN CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1c(C)cccc1[O-] ZINC000877422219 690107787 /nfs/dbraw/zinc/10/77/87/690107787.db2.gz SJRCGVMQRBAXBW-ZIAGYGMSSA-N 0 3 307.390 2.243 20 10 DECDHN CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1c(C)cccc1[O-] ZINC000877422219 690107788 /nfs/dbraw/zinc/10/77/88/690107788.db2.gz SJRCGVMQRBAXBW-ZIAGYGMSSA-N 0 3 307.390 2.243 20 10 DECDHN Cc1ccc(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c([O-])c1 ZINC000877436041 690112206 /nfs/dbraw/zinc/11/22/06/690112206.db2.gz NXQLWJZMVWWRFT-LBPRGKRZSA-N 0 3 316.323 2.201 20 10 DECDHN Cc1ccc(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c([O-])c1 ZINC000877436041 690112211 /nfs/dbraw/zinc/11/22/11/690112211.db2.gz NXQLWJZMVWWRFT-LBPRGKRZSA-N 0 3 316.323 2.201 20 10 DECDHN Cc1ccc(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)c([O-])c1 ZINC000877478906 690125604 /nfs/dbraw/zinc/12/56/04/690125604.db2.gz QQSWJMBZFMRAOO-INIZCTEOSA-N 0 3 301.390 2.369 20 10 DECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000877619859 690170108 /nfs/dbraw/zinc/17/01/08/690170108.db2.gz ARRYIIPKNKXJNI-MRXNPFEDSA-N 0 3 304.434 2.387 20 10 DECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000877619859 690170110 /nfs/dbraw/zinc/17/01/10/690170110.db2.gz ARRYIIPKNKXJNI-MRXNPFEDSA-N 0 3 304.434 2.387 20 10 DECDHN C[C@@H]([NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000879649418 690699029 /nfs/dbraw/zinc/69/90/29/690699029.db2.gz RVXXLNFUDWIWKX-OLZOCXBDSA-N 0 3 324.421 2.319 20 10 DECDHN CC(=O)c1cc(F)cc(CN(CC[NH3+])CC(F)(F)F)c1[O-] ZINC000883445607 691512679 /nfs/dbraw/zinc/51/26/79/691512679.db2.gz GLAHYYTURIFZBW-UHFFFAOYSA-N 0 3 308.275 2.057 20 10 DECDHN Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@H](C)c1cnn(C)n1 ZINC000926596589 693476986 /nfs/dbraw/zinc/47/69/86/693476986.db2.gz QCCLKAFBVGMGIO-ZIAGYGMSSA-N 0 3 301.438 2.471 20 10 DECDHN CC(C)c1ccc(O)c(CN2CCc3nn(C)c(=O)cc3C2)c1 ZINC001179979481 795213492 /nfs/dbraw/zinc/21/34/92/795213492.db2.gz GNKSRHIZIFJULP-UHFFFAOYSA-N 0 3 313.401 2.168 20 10 DECDHN CC(=O)N(C(C)C)C1CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204278234 795360517 /nfs/dbraw/zinc/36/05/17/795360517.db2.gz ZDKZAOKDHRRAIB-UHFFFAOYSA-N 0 3 306.406 2.319 20 10 DECDHN COCCCN1CCN(Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138356381 796204272 /nfs/dbraw/zinc/20/42/72/796204272.db2.gz NNJRXJVOGFYEHX-UHFFFAOYSA-N 0 3 317.477 2.223 20 10 DECDHN [O-]c1cccc(Br)c1C[N@H+]1CCc2nccn2CC1 ZINC001140102996 796476966 /nfs/dbraw/zinc/47/69/66/796476966.db2.gz DDAICBAOJILVBT-UHFFFAOYSA-N 0 3 322.206 2.410 20 10 DECDHN [O-]c1cccc(Br)c1C[N@@H+]1CCc2nccn2CC1 ZINC001140102996 796476973 /nfs/dbraw/zinc/47/69/73/796476973.db2.gz DDAICBAOJILVBT-UHFFFAOYSA-N 0 3 322.206 2.410 20 10 DECDHN [O-]c1cccc(Cl)c1CN1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001140342334 796509628 /nfs/dbraw/zinc/50/96/28/796509628.db2.gz DUJHNHXJZAJINK-ZDUSSCGKSA-N 0 3 310.825 2.342 20 10 DECDHN Cc1c(O)ccc(CN2CC(CNC(=O)OC(C)(C)C)C2)c1O ZINC001140744466 796566743 /nfs/dbraw/zinc/56/67/43/796566743.db2.gz YLDPBUKLZOYISO-UHFFFAOYSA-N 0 3 322.405 2.363 20 10 DECDHN COC[C@H]1CN(Cc2ccc(C)cc2O)Cc2cn(C)nc21 ZINC001140952194 796606274 /nfs/dbraw/zinc/60/62/74/796606274.db2.gz HZLBKJQQTRNCDS-OAHLLOKOSA-N 0 3 301.390 2.180 20 10 DECDHN COCC[N@H+](Cc1ccc(C)cc1[O-])C1CCN(C(C)=O)CC1 ZINC001140950222 796606742 /nfs/dbraw/zinc/60/67/42/796606742.db2.gz WCFYBXWZLLAQQT-UHFFFAOYSA-N 0 3 320.433 2.160 20 10 DECDHN COCC[N@@H+](Cc1ccc(C)cc1[O-])C1CCN(C(C)=O)CC1 ZINC001140950222 796606745 /nfs/dbraw/zinc/60/67/45/796606745.db2.gz WCFYBXWZLLAQQT-UHFFFAOYSA-N 0 3 320.433 2.160 20 10 DECDHN COC(=O)CC[C@@H]1CC[N@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141028969 796620696 /nfs/dbraw/zinc/62/06/96/796620696.db2.gz FULVNULFQYZHNQ-GFCCVEGCSA-N 0 3 323.389 2.185 20 10 DECDHN COC(=O)CC[C@@H]1CC[N@@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141028969 796620697 /nfs/dbraw/zinc/62/06/97/796620697.db2.gz FULVNULFQYZHNQ-GFCCVEGCSA-N 0 3 323.389 2.185 20 10 DECDHN Cc1cnc(NCc2ccc(N3CCN(C)CC3)cc2)c(N)c1 ZINC001156656938 798056299 /nfs/dbraw/zinc/05/62/99/798056299.db2.gz CVJCOCPZDZCWJU-UHFFFAOYSA-N 0 3 311.433 2.336 20 10 DECDHN CCOc1cccc(C[N@H+](C)C2CCN(C(C)=O)CC2)c1[O-] ZINC001203609527 800089320 /nfs/dbraw/zinc/08/93/20/800089320.db2.gz WYIGIUHASTUMHR-UHFFFAOYSA-N 0 3 306.406 2.234 20 10 DECDHN CCOc1cccc(C[N@@H+](C)C2CCN(C(C)=O)CC2)c1[O-] ZINC001203609527 800089324 /nfs/dbraw/zinc/08/93/24/800089324.db2.gz WYIGIUHASTUMHR-UHFFFAOYSA-N 0 3 306.406 2.234 20 10 DECDHN CC[C@H]1[N@H+](Cc2ccc(OC)cc2[O-])CCC[C@]12CCC(=O)N2 ZINC001203623962 800092595 /nfs/dbraw/zinc/09/25/95/800092595.db2.gz ZGCIWQQHKTUXQU-AEFFLSMTSA-N 0 3 318.417 2.424 20 10 DECDHN CC[C@H]1[N@@H+](Cc2ccc(OC)cc2[O-])CCC[C@]12CCC(=O)N2 ZINC001203623962 800092603 /nfs/dbraw/zinc/09/26/03/800092603.db2.gz ZGCIWQQHKTUXQU-AEFFLSMTSA-N 0 3 318.417 2.424 20 10 DECDHN CCN1CC[C@@]2(C[N@H+](Cc3ccc(OC)cc3[O-])C[C@@H]2C)C1=O ZINC001203622953 800092702 /nfs/dbraw/zinc/09/27/02/800092702.db2.gz GVHQVADCOYLISI-UGSOOPFHSA-N 0 3 318.417 2.091 20 10 DECDHN CCN1CC[C@@]2(C[N@@H+](Cc3ccc(OC)cc3[O-])C[C@@H]2C)C1=O ZINC001203622953 800092712 /nfs/dbraw/zinc/09/27/12/800092712.db2.gz GVHQVADCOYLISI-UGSOOPFHSA-N 0 3 318.417 2.091 20 10 DECDHN COC[C@H]1COCCC12CCN(Cc1ccc(O)c(O)c1)CC2 ZINC001203878053 800138473 /nfs/dbraw/zinc/13/84/73/800138473.db2.gz AAHJBIVXAPMPIO-HNNXBMFYSA-N 0 3 321.417 2.363 20 10 DECDHN CCOC(=O)NC1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC001203937109 800149263 /nfs/dbraw/zinc/14/92/63/800149263.db2.gz LAQQHRQKIWZJNM-UHFFFAOYSA-N 0 3 305.422 2.463 20 10 DECDHN CCN(CC)c1ccc(CN2CC3(C2)CCN(C)C3=O)cc1 ZINC001203946073 800149861 /nfs/dbraw/zinc/14/98/61/800149861.db2.gz SSYLXFWHRMWDRG-UHFFFAOYSA-N 0 3 301.434 2.197 20 10 DECDHN COc1cccc(N2CCN(Cc3ccc(O)cc3O)CC2)c1 ZINC001204272048 800197544 /nfs/dbraw/zinc/19/75/44/800197544.db2.gz IMLBDCRTSXNKFL-UHFFFAOYSA-N 0 3 314.385 2.429 20 10 DECDHN COC(=O)CO[C@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204329629 800205493 /nfs/dbraw/zinc/20/54/93/800205493.db2.gz SHCGGNXZNAFLPK-KRWDZBQOSA-N 0 3 318.417 2.051 20 10 DECDHN CN1C(=O)c2ccccc2[C@@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC001207130082 800690121 /nfs/dbraw/zinc/69/01/21/800690121.db2.gz WNDDRKLEQBCWRH-HNNXBMFYSA-N 0 3 300.333 2.448 20 10 DECDHN COc1ccc(N2CCN(CC3COC(C)(C)OC3)CC2)cc1 ZINC001209191841 801146911 /nfs/dbraw/zinc/14/69/11/801146911.db2.gz PZTOINZKIKMOGY-UHFFFAOYSA-N 0 3 320.433 2.216 20 10 DECDHN CCOC(=O)[C@@H]1CNCCN1Cc1cccc(C(C)(C)C)c1O ZINC001211362931 801554454 /nfs/dbraw/zinc/55/44/54/801554454.db2.gz XIWJSHAHWFHSAH-HNNXBMFYSA-N 0 3 320.433 2.027 20 10 DECDHN COc1cc(N(C)C)ccc1CN1CCc2nccn2CC1 ZINC001231855095 801738748 /nfs/dbraw/zinc/73/87/48/801738748.db2.gz QGKVKTZWZVCYRR-UHFFFAOYSA-N 0 3 300.406 2.016 20 10 DECDHN Clc1cc(CN2CCN3CC[C@H]3C2)ccc1N1CCOCC1 ZINC001232199584 801814565 /nfs/dbraw/zinc/81/45/65/801814565.db2.gz DQSVSRNVMVTUHV-HNNXBMFYSA-N 0 3 321.852 2.067 20 10 DECDHN CCN(Cc1ccc(N2CCOCC2)c(Cl)c1)C1CN(C)C1 ZINC001232201901 801814723 /nfs/dbraw/zinc/81/47/23/801814723.db2.gz OVLNLCYXQKXTEZ-UHFFFAOYSA-N 0 3 323.868 2.313 20 10 DECDHN Cc1ncc(CN(C)Cc2ccc(N3CCOCC3)cc2)[nH]1 ZINC001232461731 801888380 /nfs/dbraw/zinc/88/83/80/801888380.db2.gz DWIAYWJLOLBIRX-UHFFFAOYSA-N 0 3 300.406 2.187 20 10 DECDHN C[NH+](C)C[C@H]1COCCN1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233454676 802121010 /nfs/dbraw/zinc/12/10/10/802121010.db2.gz FILDPGVBXMTASM-ZDUSSCGKSA-N 0 3 318.339 2.173 20 10 DECDHN C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCc3c([O-])cccc3F)C[N@@H+]2C1 ZINC001529018832 1070816148 /nfs/dbraw/zinc/81/61/48/1070816148.db2.gz VONSFDOPIUNCPQ-AGIUHOORSA-N 0 3 306.381 2.268 20 10 DECDHN C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCc3c([O-])cccc3F)C[N@H+]2C1 ZINC001529018832 1070816173 /nfs/dbraw/zinc/81/61/73/1070816173.db2.gz VONSFDOPIUNCPQ-AGIUHOORSA-N 0 3 306.381 2.268 20 10 DECDHN COc1cc(C)c(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)c([O-])c1 ZINC001462519685 1058842390 /nfs/dbraw/zinc/84/23/90/1058842390.db2.gz REXCUWOCMCZFKB-OAHLLOKOSA-N 0 3 321.417 2.385 20 10 DECDHN C[C@H]([NH2+]Cc1ccc(OCC(N)=O)cc1)c1ccccc1[O-] ZINC001474253839 1060837545 /nfs/dbraw/zinc/83/75/45/1060837545.db2.gz XEUWMIDRCGRFHR-LBPRGKRZSA-N 0 3 300.358 2.107 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c([O-])c1 ZINC001621160280 1078170972 /nfs/dbraw/zinc/17/09/72/1078170972.db2.gz UUAZRVITBFXQFS-CQSZACIVSA-N 0 3 316.405 2.213 20 10 DECDHN COc1cc(C)c(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c([O-])c1 ZINC001621160280 1078170976 /nfs/dbraw/zinc/17/09/76/1078170976.db2.gz UUAZRVITBFXQFS-CQSZACIVSA-N 0 3 316.405 2.213 20 10 DECDHN C[C@H](CNC/C=C\Cl)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001569040623 1065253602 /nfs/dbraw/zinc/25/36/02/1065253602.db2.gz GONMBAXBIMRWCL-XIIQGOPKSA-N 0 3 323.784 2.309 20 10 DECDHN CC1(C)CNCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001576482424 1066620330 /nfs/dbraw/zinc/62/03/30/1066620330.db2.gz RKORHTSMNVAPTQ-UHFFFAOYSA-N 0 3 306.387 2.137 20 10 DECDHN CCCCN1CC[C@@]2(CCCN2Cc2cc(O)ccc2O)C1=O ZINC001272385875 1078845845 /nfs/dbraw/zinc/84/58/45/1078845845.db2.gz GPLVYXPRRBKYQV-SFHVURJKSA-N 0 3 318.417 2.465 20 10 DECDHN COc1ccc(CNC2(CNC(=O)[C@@H]3CC3(F)F)CC2)cc1C ZINC001483733281 1078913668 /nfs/dbraw/zinc/91/36/68/1078913668.db2.gz QZPYIQRBUIVELV-ZDUSSCGKSA-N 0 3 324.371 2.397 20 10 DECDHN O=C1N(CC(F)F)CCC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001272618482 1079015263 /nfs/dbraw/zinc/01/52/63/1079015263.db2.gz JHRKINYJDZUMTI-UHFFFAOYSA-N 0 3 324.371 2.472 20 10 DECDHN CNC(=O)[C@H](CCSC)NCc1c(C)c2ccccc2n1C ZINC001620956410 1077059154 /nfs/dbraw/zinc/05/91/54/1077059154.db2.gz WGXCYMMXSNWPCQ-AWEZNQCLSA-N 0 3 319.474 2.444 20 10 DECDHN CN(C)c1ccc(CN[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1F ZINC001650665028 1079766694 /nfs/dbraw/zinc/76/66/94/1079766694.db2.gz QPUCLGHRGFNPIO-CYBMUJFWSA-N 0 3 307.413 2.381 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)c([O-])c1 ZINC001657445180 1080174273 /nfs/dbraw/zinc/17/42/73/1080174273.db2.gz XGDFMPNSTOSFPQ-ZDUSSCGKSA-N 0 3 318.417 2.200 20 10 DECDHN COc1cc(C)c(C[N@H+]2CCC[C@H](C(=O)NC3CC3)C2)c([O-])c1 ZINC001657445180 1080174275 /nfs/dbraw/zinc/17/42/75/1080174275.db2.gz XGDFMPNSTOSFPQ-ZDUSSCGKSA-N 0 3 318.417 2.200 20 10 DECDHN C[C@H](NCc1ccc(S(N)(=O)=O)cc1F)c1ccccc1O ZINC001658524113 1080209973 /nfs/dbraw/zinc/20/99/73/1080209973.db2.gz PQMVSXFMUJYTDS-JTQLQIEISA-N 0 3 324.377 2.030 20 10 DECDHN COc1ccc(CNC2(CNC(=O)[C@H]3C[C@@H]3C)CC2)cc1C ZINC001269469462 1081256905 /nfs/dbraw/zinc/25/69/05/1081256905.db2.gz VRJLRAOZRCHSHM-WFASDCNBSA-N 0 3 302.418 2.398 20 10 DECDHN CCN(CC)c1ccc(CN2C[C@@H]3CC[C@H](C2)[C@H]3C(N)=O)cc1 ZINC001276958647 1083701418 /nfs/dbraw/zinc/70/14/18/1083701418.db2.gz SFOJWRJQUSHPDG-ALXJQNPVSA-N 0 3 315.461 2.476 20 10 DECDHN CC(C)(C)NC(=O)C12CC([NH2+]Cc3ccc(O)cc3[O-])(C1)C2 ZINC001277192570 1083839547 /nfs/dbraw/zinc/83/95/47/1083839547.db2.gz PJMQXNKMULJNDA-UHFFFAOYSA-N 0 3 304.390 2.025 20 10 DECDHN CC(C)(C)NC(=O)[C@H]1CC12C[NH+](Cc1c([O-])cccc1F)C2 ZINC001277485310 1083999453 /nfs/dbraw/zinc/99/94/53/1083999453.db2.gz ZDOUBCNYZXBFCR-GFCCVEGCSA-N 0 3 306.381 2.268 20 10 DECDHN CC(C)CN1CC[C@]2(CCCN2Cc2ccc(O)cc2O)C1=O ZINC001272987601 1085800829 /nfs/dbraw/zinc/80/08/29/1085800829.db2.gz DZPFJIQRQGPTLD-GOSISDBHSA-N 0 3 318.417 2.321 20 10 DECDHN CCc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC(=O)N3C)C2)c([O-])c1 ZINC001236786338 1138426608 /nfs/dbraw/zinc/42/66/08/1138426608.db2.gz AROHXSKEQWYSBQ-HOCLYGCPSA-N 0 3 302.418 2.397 20 10 DECDHN CCc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC(=O)N3C)C2)c([O-])c1 ZINC001236786338 1138426617 /nfs/dbraw/zinc/42/66/17/1138426617.db2.gz AROHXSKEQWYSBQ-HOCLYGCPSA-N 0 3 302.418 2.397 20 10 DECDHN Cc1cc(CN2CCNC[C@@H]2C(F)(F)F)ccc1N(C)C ZINC001236974836 1138472468 /nfs/dbraw/zinc/47/24/68/1138472468.db2.gz DONFJXPIZRYLEL-CQSZACIVSA-N 0 3 301.356 2.397 20 10 DECDHN CCCN1CCCC[C@H]1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC001324120222 1142011292 /nfs/dbraw/zinc/01/12/92/1142011292.db2.gz AYNSJPDPEJHJNI-HIFRSBDPSA-N 0 3 320.433 2.410 20 10 DECDHN C[C@@H](NC(=O)c1cccc2c1OCCNC2)c1ccccc1O ZINC001341541058 1143624441 /nfs/dbraw/zinc/62/44/41/1143624441.db2.gz MYEHHVAWXDVRMS-GFCCVEGCSA-N 0 3 312.369 2.365 20 10 DECDHN CN(C)c1ccc(CN2CCC(NC(=O)C3CC3)CC2)cc1 ZINC000194159264 529780542 /nfs/dbraw/zinc/78/05/42/529780542.db2.gz GQVGVBPZZLRZIW-UHFFFAOYSA-N 0 3 301.434 2.243 20 10 DECDHN CCC[C@@H]1CN(Cc2cccc(OC)c2O)CCN1CCOC ZINC000091858599 193119211 /nfs/dbraw/zinc/11/92/11/193119211.db2.gz SCYDXCITJARDCQ-MRXNPFEDSA-N 0 3 322.449 2.334 20 10 DECDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)c1 ZINC000092011945 193142827 /nfs/dbraw/zinc/14/28/27/193142827.db2.gz BURTUXDBSWBGKU-YOEHRIQHSA-N 0 3 315.417 2.380 20 10 DECDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)c1 ZINC000092011945 193142829 /nfs/dbraw/zinc/14/28/29/193142829.db2.gz BURTUXDBSWBGKU-YOEHRIQHSA-N 0 3 315.417 2.380 20 10 DECDHN CCOCCO[C@H]1CCN(Cc2cccc(OCC)c2O)C1 ZINC000092067414 193152448 /nfs/dbraw/zinc/15/24/48/193152448.db2.gz FQNORLVJLOMFDT-HNNXBMFYSA-N 0 3 309.406 2.418 20 10 DECDHN CCOCCO[C@H]1CC[N@H+](Cc2cccc(OCC)c2[O-])C1 ZINC000092067414 193152450 /nfs/dbraw/zinc/15/24/50/193152450.db2.gz FQNORLVJLOMFDT-HNNXBMFYSA-N 0 3 309.406 2.418 20 10 DECDHN CCOCCO[C@H]1CC[N@@H+](Cc2cccc(OCC)c2[O-])C1 ZINC000092067414 193152453 /nfs/dbraw/zinc/15/24/53/193152453.db2.gz FQNORLVJLOMFDT-HNNXBMFYSA-N 0 3 309.406 2.418 20 10 DECDHN COC(=O)CCCN1CCCN(c2ccc(OC)cc2)CC1 ZINC000369371383 533383495 /nfs/dbraw/zinc/38/34/95/533383495.db2.gz VBSPKFUONITUKU-UHFFFAOYSA-N 0 3 306.406 2.161 20 10 DECDHN COc1cccc(CN2CCC[C@@H](N3CCCCC3=O)C2)c1O ZINC000372413549 533477584 /nfs/dbraw/zinc/47/75/84/533477584.db2.gz NUBKYYXRNPAYDF-OAHLLOKOSA-N 0 3 318.417 2.378 20 10 DECDHN Cc1ccc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c([O-])c1O ZINC000272781660 130063925 /nfs/dbraw/zinc/06/39/25/130063925.db2.gz VHPGKFRXIALOHR-ZDUSSCGKSA-N 0 3 306.406 2.353 20 10 DECDHN Cc1ccc(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c([O-])c1O ZINC000272781660 130063927 /nfs/dbraw/zinc/06/39/27/130063927.db2.gz VHPGKFRXIALOHR-ZDUSSCGKSA-N 0 3 306.406 2.353 20 10 DECDHN Cc1ccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c([O-])c1O ZINC000288579222 131331626 /nfs/dbraw/zinc/33/16/26/131331626.db2.gz XHLUEBLAFHHHNV-QWHCGFSZSA-N 0 3 304.390 2.105 20 10 DECDHN CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cccc(OC)c1[O-] ZINC000289256534 131369741 /nfs/dbraw/zinc/36/97/41/131369741.db2.gz FKVZNSWZDZTCGJ-AWEZNQCLSA-N 0 3 306.406 2.282 20 10 DECDHN CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1cccc(OC)c1[O-] ZINC000289256534 131369743 /nfs/dbraw/zinc/36/97/43/131369743.db2.gz FKVZNSWZDZTCGJ-AWEZNQCLSA-N 0 3 306.406 2.282 20 10 DECDHN [O-]c1cccc2c1[C@H]([NH2+]C1CCN(C[C@@H]3CCOC3)CC1)CC2 ZINC000297598598 132025231 /nfs/dbraw/zinc/02/52/31/132025231.db2.gz HXPPSEVVMJBXFQ-WMLDXEAASA-N 0 3 316.445 2.470 20 10 DECDHN COc1cccc(C[N@H+](CCC(N)=O)Cc2ccccc2)c1[O-] ZINC000122121200 402062326 /nfs/dbraw/zinc/06/23/26/402062326.db2.gz KJLJCEGKIRKJHZ-UHFFFAOYSA-N 0 3 314.385 2.278 20 10 DECDHN COc1cccc(C[N@@H+](CCC(N)=O)Cc2ccccc2)c1[O-] ZINC000122121200 402062327 /nfs/dbraw/zinc/06/23/27/402062327.db2.gz KJLJCEGKIRKJHZ-UHFFFAOYSA-N 0 3 314.385 2.278 20 10 DECDHN COc1cccc(CN(CCC(N)=O)Cc2ccccc2)c1O ZINC000122121200 402062328 /nfs/dbraw/zinc/06/23/28/402062328.db2.gz KJLJCEGKIRKJHZ-UHFFFAOYSA-N 0 3 314.385 2.278 20 10 DECDHN CCS(=O)(=O)CCN[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185331109 402343879 /nfs/dbraw/zinc/34/38/79/402343879.db2.gz VUFOIPDHJXTVFE-LBPRGKRZSA-N 0 3 311.447 2.356 20 10 DECDHN COc1cccc(C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c1[O-] ZINC000237210070 402399472 /nfs/dbraw/zinc/39/94/72/402399472.db2.gz WQTRLWSVLDUDDX-NSHDSACASA-N 0 3 318.339 2.375 20 10 DECDHN CCO[C@@H]1C[C@](CO)(NCc2ccc(N(C)C)cc2)C1(C)C ZINC000186584822 402444587 /nfs/dbraw/zinc/44/45/87/402444587.db2.gz KLIKAGXIAAZVNF-SJLPKXTDSA-N 0 3 306.450 2.408 20 10 DECDHN CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])N1CCN(C)CC1 ZINC000170789709 402525661 /nfs/dbraw/zinc/52/56/61/402525661.db2.gz QIWOZJISAXWEAU-RHSMWYFYSA-N 0 3 323.456 2.454 20 10 DECDHN CCCOc1ccc(C[NH2+]CCN2CCOC(C)(C)C2)c([O-])c1 ZINC000171766521 402620427 /nfs/dbraw/zinc/62/04/27/402620427.db2.gz PCXHPALNJLIDCK-UHFFFAOYSA-N 0 3 322.449 2.381 20 10 DECDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCCN(c3ccnn3C)C2)c1 ZINC000278533210 402867398 /nfs/dbraw/zinc/86/73/98/402867398.db2.gz VLBDRVJUVGHMIT-HNNXBMFYSA-N 0 3 300.406 2.193 20 10 DECDHN Cn1nccc1CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000278604496 402869013 /nfs/dbraw/zinc/86/90/13/402869013.db2.gz MBJDCJKBWQOFAC-QGZVFWFLSA-N 0 3 315.417 2.349 20 10 DECDHN Cn1nccc1CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000278604496 402869015 /nfs/dbraw/zinc/86/90/15/402869015.db2.gz MBJDCJKBWQOFAC-QGZVFWFLSA-N 0 3 315.417 2.349 20 10 DECDHN COC[C@H](CO)N[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000280946048 403052627 /nfs/dbraw/zinc/05/26/27/403052627.db2.gz JFAZWZQNQMHKPB-HIFRSBDPSA-N 0 3 310.413 2.474 20 10 DECDHN C[NH+](C)CCc1ccc(CNC(=O)c2cccc(O)c2[O-])cc1 ZINC000276286764 403160814 /nfs/dbraw/zinc/16/08/14/403160814.db2.gz SOMMNOOXOMOLHR-UHFFFAOYSA-N 0 3 314.385 2.132 20 10 DECDHN C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(F)cc1[O-] ZINC000282242026 403135728 /nfs/dbraw/zinc/13/57/28/403135728.db2.gz JCNWXLREPIPCSY-CYBMUJFWSA-N 0 3 309.429 2.208 20 10 DECDHN CN(C)c1ccc(CN2CCC(Cn3ccnn3)CC2)cc1F ZINC000271266269 403283860 /nfs/dbraw/zinc/28/38/60/403283860.db2.gz IOEPBKPPMRFNMV-UHFFFAOYSA-N 0 3 317.412 2.395 20 10 DECDHN O=C1NCCC[N@@H+](Cc2ccccc2[O-])[C@H]1Cc1ccccc1 ZINC000293687318 403538263 /nfs/dbraw/zinc/53/82/63/403538263.db2.gz QGLAUCOLGNYLSE-KRWDZBQOSA-N 0 3 310.397 2.325 20 10 DECDHN O=C1NCCC[N@H+](Cc2ccccc2[O-])[C@H]1Cc1ccccc1 ZINC000293687318 403538266 /nfs/dbraw/zinc/53/82/66/403538266.db2.gz QGLAUCOLGNYLSE-KRWDZBQOSA-N 0 3 310.397 2.325 20 10 DECDHN CN1CCC[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)C1 ZINC000293852590 403580928 /nfs/dbraw/zinc/58/09/28/403580928.db2.gz DEAKQQYSNURJGK-MJICGBHWSA-N 0 3 316.401 2.055 20 10 DECDHN COc1cccc(C[N@H+](C)C[C@H](O)Cc2ccccc2)c1[O-] ZINC000293966622 403611863 /nfs/dbraw/zinc/61/18/63/403611863.db2.gz QGRIBRIGXOJJPQ-MRXNPFEDSA-N 0 3 301.386 2.436 20 10 DECDHN COc1cccc(C[N@@H+](C)C[C@H](O)Cc2ccccc2)c1[O-] ZINC000293966622 403611864 /nfs/dbraw/zinc/61/18/64/403611864.db2.gz QGRIBRIGXOJJPQ-MRXNPFEDSA-N 0 3 301.386 2.436 20 10 DECDHN Cc1cc(CN2CC[C@H](NC(=O)NC3CC3)C2)ccc1N(C)C ZINC000294427816 403719293 /nfs/dbraw/zinc/71/92/93/403719293.db2.gz DUTZSLRPSWBBOK-INIZCTEOSA-N 0 3 316.449 2.097 20 10 DECDHN CO[C@@H](C[NH2+]Cc1cc2c(cc1[O-])OCO2)Cc1ccccc1 ZINC000294754847 403729182 /nfs/dbraw/zinc/72/91/82/403729182.db2.gz IOBCPHGVMQPYQR-OAHLLOKOSA-N 0 3 315.369 2.468 20 10 DECDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCCc3c2cnn3CCO)c1 ZINC000363480959 404163406 /nfs/dbraw/zinc/16/34/06/404163406.db2.gz FMJPUFHDTCVITA-OAHLLOKOSA-N 0 3 301.390 2.057 20 10 DECDHN Cc1ccc(O)c(CN[C@@H]2CCCc3c2cnn3CCO)c1 ZINC000363480959 404163415 /nfs/dbraw/zinc/16/34/15/404163415.db2.gz FMJPUFHDTCVITA-OAHLLOKOSA-N 0 3 301.390 2.057 20 10 DECDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c([O-])c1 ZINC000363870652 404232895 /nfs/dbraw/zinc/23/28/95/404232895.db2.gz WMTMKUYGHHLJCH-UONOGXRCSA-N 0 3 300.406 2.364 20 10 DECDHN COc1cccc(CN2C[C@@H](C)O[C@]3(CCCOC3)C2)c1O ZINC000366462589 404796064 /nfs/dbraw/zinc/79/60/64/404796064.db2.gz LSKKTNGYPMEUHS-CXAGYDPISA-N 0 3 307.390 2.171 20 10 DECDHN Cc1ccc(C(=O)N2CCC3(CCC[N@H+]3C)CC2)c([O-])c1O ZINC000378556768 405000404 /nfs/dbraw/zinc/00/04/04/405000404.db2.gz BCRCWRAGGABMNQ-UHFFFAOYSA-N 0 3 304.390 2.107 20 10 DECDHN Cc1ccc(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)c([O-])c1O ZINC000378556768 405000407 /nfs/dbraw/zinc/00/04/07/405000407.db2.gz BCRCWRAGGABMNQ-UHFFFAOYSA-N 0 3 304.390 2.107 20 10 DECDHN Cc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c([O-])c1O ZINC000371180554 227065148 /nfs/dbraw/zinc/06/51/48/227065148.db2.gz LEZJDAMUPMDNQB-CYBMUJFWSA-N 0 3 304.390 2.107 20 10 DECDHN C[C@H]1CC(=O)NCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000377887169 227203922 /nfs/dbraw/zinc/20/39/22/227203922.db2.gz DCILECXGYDMDLE-HNNXBMFYSA-N 0 3 301.434 2.387 20 10 DECDHN Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000418105554 229222728 /nfs/dbraw/zinc/22/27/28/229222728.db2.gz ZWNHBELQFAEEHN-CHWSQXEVSA-N 0 3 314.433 2.379 20 10 DECDHN C[C@H]1C[C@@H]([NH2+]CCN2CCC(O)CC2)c2c1c(F)ccc2[O-] ZINC000834901856 649858661 /nfs/dbraw/zinc/85/86/61/649858661.db2.gz ACODTOUOPXLCOK-SMDDNHRTSA-N 0 3 308.397 2.126 20 10 DECDHN C[C@@H](N(C)CC(=O)NCc1ccc(N(C)C)cc1)C1(C)CC1 ZINC000298732037 278303204 /nfs/dbraw/zinc/30/32/04/278303204.db2.gz VHMDDNONAJGDFM-CQSZACIVSA-N 0 3 303.450 2.489 20 10 DECDHN CCN1CCN(c2ccc(CN[C@@H](C)[C@@H](C)OC)cc2F)CC1 ZINC000268892164 279374425 /nfs/dbraw/zinc/37/44/25/279374425.db2.gz PCXUSFFWGLSHEU-LSDHHAIUSA-N 0 3 323.456 2.481 20 10 DECDHN C[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])N1CCN(C)CC1 ZINC000185364047 333207689 /nfs/dbraw/zinc/20/76/89/333207689.db2.gz RUGWLUNCHDYSTD-OLZOCXBDSA-N 0 3 311.857 2.332 20 10 DECDHN CCOc1ccc(O)c(CN[C@H]2Cc3ccccc3NC2=O)c1 ZINC000527801211 337764827 /nfs/dbraw/zinc/76/48/27/337764827.db2.gz RDEITZXECNKVRK-INIZCTEOSA-N 0 3 312.369 2.444 20 10 DECDHN COc1ccc(O)c(CN2CCCC[C@H]2C(=O)N2CCCC2)c1 ZINC000368460748 534199460 /nfs/dbraw/zinc/19/94/60/534199460.db2.gz CBXGWULVSZQGNS-INIZCTEOSA-N 0 3 318.417 2.378 20 10 DECDHN COc1ccc(O)c(CN2CC[C@H](Oc3ccccn3)C2)c1 ZINC000378438194 534201431 /nfs/dbraw/zinc/20/14/31/534201431.db2.gz JBGKRYUCXAYCKO-HNNXBMFYSA-N 0 3 300.358 2.449 20 10 DECDHN CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC000180194034 520379395 /nfs/dbraw/zinc/37/93/95/520379395.db2.gz BZBDPQUVJDSUQD-HZPDHXFCSA-N 0 3 309.381 2.283 20 10 DECDHN CN(C)c1ccc(CN2CCC(C3OCCO3)CC2)cc1F ZINC000130071657 522176044 /nfs/dbraw/zinc/17/60/44/522176044.db2.gz NOCKKKZSGGUXQQ-UHFFFAOYSA-N 0 3 308.397 2.477 20 10 DECDHN C[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)N1CCC(C)CC1 ZINC000180714530 524635594 /nfs/dbraw/zinc/63/55/94/524635594.db2.gz KPODRJXKMHBCOD-YVZNUBBCSA-N 0 3 318.417 2.348 20 10 DECDHN C[C@H](NCCNC(=O)c1ccco1)c1ccc(N(C)C)cc1 ZINC000120280520 525355598 /nfs/dbraw/zinc/35/55/98/525355598.db2.gz GDPDEDVDMRCANN-ZDUSSCGKSA-N 0 3 301.390 2.426 20 10 DECDHN CCO[C@@H]1C[C@H](NCc2ccc3c(c2)CCO3)[C@]12CCCO2 ZINC000378582559 527944286 /nfs/dbraw/zinc/94/42/86/527944286.db2.gz XLBHMPHQQGKIOU-RCCFBDPRSA-N 0 3 303.402 2.438 20 10 DECDHN COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OC)c2[O-])[C@H]1C ZINC000289377927 536318446 /nfs/dbraw/zinc/31/84/46/536318446.db2.gz CALSCTQBRTZYGY-SGMGOOAPSA-N 0 3 307.390 2.468 20 10 DECDHN COc1ccc(N2CCN(CCNCc3ccco3)CC2)cc1 ZINC000299330376 536698608 /nfs/dbraw/zinc/69/86/08/536698608.db2.gz KZKXWWHSYIJZOO-UHFFFAOYSA-N 0 3 315.417 2.200 20 10 DECDHN Cc1ccc(C(=O)NC[C@H](C)C[NH+]2CCCCC2)c([O-])c1O ZINC000177674188 623648361 /nfs/dbraw/zinc/64/83/61/623648361.db2.gz RANLGQMFAXPQLM-LBPRGKRZSA-N 0 3 306.406 2.258 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CC23CC3)N(C)C)cc1 ZINC000891246265 623790096 /nfs/dbraw/zinc/79/00/96/623790096.db2.gz BPUXQDBEYCOKPD-CVEARBPZSA-N 0 3 301.434 2.272 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCSC2)N(C)C)cc1 ZINC000891250507 623795163 /nfs/dbraw/zinc/79/51/63/623795163.db2.gz APGYUMDZBABRQE-ZBFHGGJFSA-N 0 3 321.490 2.225 20 10 DECDHN COc1ccc(C[N@H+](C[C@H]2CCOC2)C2CC2)c([O-])c1OC ZINC000891595998 624488959 /nfs/dbraw/zinc/48/89/59/624488959.db2.gz IALGLOBXOABVJA-GFCCVEGCSA-N 0 3 307.390 2.410 20 10 DECDHN COc1ccc(C[N@@H+](C[C@H]2CCOC2)C2CC2)c([O-])c1OC ZINC000891595998 624488960 /nfs/dbraw/zinc/48/89/60/624488960.db2.gz IALGLOBXOABVJA-GFCCVEGCSA-N 0 3 307.390 2.410 20 10 DECDHN Cc1cc(N)nc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000892025090 624749250 /nfs/dbraw/zinc/74/92/50/624749250.db2.gz LZSNETUYYCSJCO-ZDUSSCGKSA-N 0 3 313.405 2.377 20 10 DECDHN C[C@@H]1C[C@@H]1CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000892060376 624766983 /nfs/dbraw/zinc/76/69/83/624766983.db2.gz JMTPMDZXRYWZGE-FRFSOERESA-N 0 3 318.465 2.311 20 10 DECDHN COc1cccc([O-])c1C[NH2+]C[C@@H](CO)Cc1ccc(F)cc1 ZINC000725846412 632928933 /nfs/dbraw/zinc/92/89/33/632928933.db2.gz IAGBWIZDXKJHLQ-AWEZNQCLSA-N 0 3 319.376 2.481 20 10 DECDHN COc1cc(Br)cc(C[NH2+][C@@H](C)C(C)(C)O)c1[O-] ZINC000734841448 633429675 /nfs/dbraw/zinc/42/96/75/633429675.db2.gz OPIZBWYKRVDWLE-QMMMGPOBSA-N 0 3 318.211 2.412 20 10 DECDHN O=C1[C@@H](NCc2ccc3c(c2)CCCO3)C[C@H]2CCCCN12 ZINC000922171899 635964717 /nfs/dbraw/zinc/96/47/17/635964717.db2.gz KWFDFSAFIGTZHX-CVEARBPZSA-N 0 3 300.402 2.255 20 10 DECDHN CC(=O)c1cc(F)cc(C[N@H+]2C[C@H]3CCN(C)C[C@H]3C2)c1[O-] ZINC000319362538 635978518 /nfs/dbraw/zinc/97/85/18/635978518.db2.gz BOGATPNCZZOODC-OCCSQVGLSA-N 0 3 306.381 2.117 20 10 DECDHN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)c1[O-] ZINC000319362538 635978522 /nfs/dbraw/zinc/97/85/22/635978522.db2.gz BOGATPNCZZOODC-OCCSQVGLSA-N 0 3 306.381 2.117 20 10 DECDHN CCOc1cccc(C[N@H+](C[C@@H]2CCC(=O)N2)C(C)C)c1[O-] ZINC000840978061 636012290 /nfs/dbraw/zinc/01/22/90/636012290.db2.gz ZRYLSRHXNAHGMO-AWEZNQCLSA-N 0 3 306.406 2.280 20 10 DECDHN CCOc1cccc(C[N@@H+](C[C@@H]2CCC(=O)N2)C(C)C)c1[O-] ZINC000840978061 636012292 /nfs/dbraw/zinc/01/22/92/636012292.db2.gz ZRYLSRHXNAHGMO-AWEZNQCLSA-N 0 3 306.406 2.280 20 10 DECDHN CCn1ccnc1[C@@H]1OCC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000922401814 636160099 /nfs/dbraw/zinc/16/00/99/636160099.db2.gz VTYHJUZMEWATFV-NVXWUHKLSA-N 0 3 313.401 2.458 20 10 DECDHN Cc1cc(CCNCc2cc(F)c(N(C)C)cc2F)nn1C ZINC000922685567 636325234 /nfs/dbraw/zinc/32/52/34/636325234.db2.gz KIHNFYSRVIKQAN-UHFFFAOYSA-N 0 3 308.376 2.405 20 10 DECDHN CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000923170484 637011944 /nfs/dbraw/zinc/01/19/44/637011944.db2.gz JYIUKXRQILDFNG-NSHDSACASA-N 0 3 309.385 2.203 20 10 DECDHN CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000923170484 637011948 /nfs/dbraw/zinc/01/19/48/637011948.db2.gz JYIUKXRQILDFNG-NSHDSACASA-N 0 3 309.385 2.203 20 10 DECDHN C[C@@H](F)CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895052152 637422483 /nfs/dbraw/zinc/42/24/83/637422483.db2.gz SKDUUZLSCRMGHU-CZUORRHYSA-N 0 3 324.444 2.403 20 10 DECDHN Cc1cc([O-])c(C[NH2+]C[C@@H](C)N2CCN(C)CC2)c(Cl)c1 ZINC000840890496 650371609 /nfs/dbraw/zinc/37/16/09/650371609.db2.gz NVOBXWLNMYSGGP-CYBMUJFWSA-N 0 3 311.857 2.080 20 10 DECDHN COc1ccc(O)c(CNCC(=O)N2CCc3ccccc32)c1 ZINC000895486722 638049227 /nfs/dbraw/zinc/04/92/27/638049227.db2.gz HYJJFVBDXBFRMQ-UHFFFAOYSA-N 0 3 312.369 2.080 20 10 DECDHN Cc1cc(N(C)C)ccc1CN1CCO[C@]2(CCO[C@H]2C)C1 ZINC000840941018 650390139 /nfs/dbraw/zinc/39/01/39/650390139.db2.gz NBYVDFCDONXPTQ-MAUKXSAKSA-N 0 3 304.434 2.441 20 10 DECDHN CC(C)Oc1ccc(N(C)C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000841024105 650407614 /nfs/dbraw/zinc/40/76/14/650407614.db2.gz QAGQLOGOVPPQSQ-HNNXBMFYSA-N 0 3 319.449 2.107 20 10 DECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H]([C@]2(C)COC(=O)N2)C1 ZINC000896395976 638502084 /nfs/dbraw/zinc/50/20/84/638502084.db2.gz WVLHXVWLCHZDKV-GUYCJALGSA-N 0 3 304.390 2.411 20 10 DECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H]([C@]2(C)COC(=O)N2)C1 ZINC000896395976 638502086 /nfs/dbraw/zinc/50/20/86/638502086.db2.gz WVLHXVWLCHZDKV-GUYCJALGSA-N 0 3 304.390 2.411 20 10 DECDHN CCN(CC)c1ccc(CN[C@H]2CCCN(C)C2=O)cc1F ZINC000748241915 638534743 /nfs/dbraw/zinc/53/47/43/638534743.db2.gz GRKMRLUSXBDQAY-HNNXBMFYSA-N 0 3 307.413 2.382 20 10 DECDHN CCOc1ccc(C[NH+]2CCC([C@@H]3COC(=O)N3)CC2)c([O-])c1 ZINC000897027307 639131289 /nfs/dbraw/zinc/13/12/89/639131289.db2.gz RDJCSJJCRIXTNZ-HNNXBMFYSA-N 0 3 320.389 2.111 20 10 DECDHN [O-]c1ccc(F)cc1C[N@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000897176261 639224939 /nfs/dbraw/zinc/22/49/39/639224939.db2.gz RCQZGQWZRPPNRE-HNNXBMFYSA-N 0 3 309.381 2.285 20 10 DECDHN [O-]c1ccc(F)cc1C[N@@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000897176261 639224943 /nfs/dbraw/zinc/22/49/43/639224943.db2.gz RCQZGQWZRPPNRE-HNNXBMFYSA-N 0 3 309.381 2.285 20 10 DECDHN COC(=O)[C@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C[C@@H]1C ZINC000761206269 640285078 /nfs/dbraw/zinc/28/50/78/640285078.db2.gz VGWZHIQBDZTJPF-CABZTGNLSA-N 0 3 313.781 2.295 20 10 DECDHN COC(=O)[C@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C[C@@H]1C ZINC000761206269 640285083 /nfs/dbraw/zinc/28/50/83/640285083.db2.gz VGWZHIQBDZTJPF-CABZTGNLSA-N 0 3 313.781 2.295 20 10 DECDHN COC1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000768216515 641060037 /nfs/dbraw/zinc/06/00/37/641060037.db2.gz ZIKHRHUOTHBFLC-UHFFFAOYSA-N 0 3 308.397 2.273 20 10 DECDHN C[N@H+](CCOc1ccccc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768437657 641080898 /nfs/dbraw/zinc/08/08/98/641080898.db2.gz BXRDRZXRAISZAJ-KRWDZBQOSA-N 0 3 315.369 2.329 20 10 DECDHN C[N@@H+](CCOc1ccccc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768437657 641080904 /nfs/dbraw/zinc/08/09/04/641080904.db2.gz BXRDRZXRAISZAJ-KRWDZBQOSA-N 0 3 315.369 2.329 20 10 DECDHN CC(C)CO[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768464130 641084707 /nfs/dbraw/zinc/08/47/07/641084707.db2.gz NMXFUGDQHCHVQS-XJKSGUPXSA-N 0 3 307.390 2.065 20 10 DECDHN CC(C)CO[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768464130 641084712 /nfs/dbraw/zinc/08/47/12/641084712.db2.gz NMXFUGDQHCHVQS-XJKSGUPXSA-N 0 3 307.390 2.065 20 10 DECDHN C[C@H](NC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000773372411 641765648 /nfs/dbraw/zinc/76/56/48/641765648.db2.gz SPLYEYXNINERCT-DZGCQCFKSA-N 0 3 316.449 2.350 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)N2CC=CCC2)N(C)C)cc1 ZINC000899105229 641936392 /nfs/dbraw/zinc/93/63/92/641936392.db2.gz VSRRESOILQKZSO-KRWDZBQOSA-N 0 3 316.449 2.327 20 10 DECDHN C[C@@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)[C@H]1C ZINC000899104909 641936424 /nfs/dbraw/zinc/93/64/24/641936424.db2.gz SRZOQQFUZAXSID-JKIFEVAISA-N 0 3 318.465 2.405 20 10 DECDHN O=S1(=O)CCc2cc(C[NH2+]Cc3cc(F)ccc3[O-])ccc21 ZINC000779094797 642462569 /nfs/dbraw/zinc/46/25/69/642462569.db2.gz UKWVHKVQNJPXLW-UHFFFAOYSA-N 0 3 321.373 2.151 20 10 DECDHN CC1(C)CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCN1 ZINC000900937101 642523773 /nfs/dbraw/zinc/52/37/73/642523773.db2.gz CJRAPCWTHQUHAN-UHFFFAOYSA-N 0 3 306.387 2.137 20 10 DECDHN Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@@H](C)c1cn(C)nn1 ZINC000903024065 643229477 /nfs/dbraw/zinc/22/94/77/643229477.db2.gz KDWGEOPZLRDRIY-KGLIPLIRSA-N 0 3 301.438 2.471 20 10 DECDHN COc1cccc([O-])c1C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000793181363 644202921 /nfs/dbraw/zinc/20/29/21/644202921.db2.gz DGAQXQAQTQBQKA-INIZCTEOSA-N 0 3 317.389 2.070 20 10 DECDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)CCNC(=O)OC(C)(C)C ZINC000794410576 644413835 /nfs/dbraw/zinc/41/38/35/644413835.db2.gz BWEHPHXLRKXHOC-CQSZACIVSA-N 0 3 324.421 2.100 20 10 DECDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)CCNC(=O)OC(C)(C)C ZINC000794410576 644413836 /nfs/dbraw/zinc/41/38/36/644413836.db2.gz BWEHPHXLRKXHOC-CQSZACIVSA-N 0 3 324.421 2.100 20 10 DECDHN C[C@@H]1OCC[C@]12CN(Cc1cc3c(cc1O)CCC3)CCO2 ZINC000794657776 644455032 /nfs/dbraw/zinc/45/50/32/644455032.db2.gz HNFPVKWHLGQVCL-UGSOOPFHSA-N 0 3 303.402 2.261 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)OCCCF)N(C)C)cc1 ZINC000908459214 644866190 /nfs/dbraw/zinc/86/61/90/644866190.db2.gz BVLCYXVFLYQXKQ-OAHLLOKOSA-N 0 3 311.401 2.441 20 10 DECDHN CN1CCN(C(=O)c2cccc(O)c2O)CC12CCCCC2 ZINC000908570709 644911196 /nfs/dbraw/zinc/91/11/96/644911196.db2.gz KTVSUDSLHVJZPH-UHFFFAOYSA-N 0 3 304.390 2.188 20 10 DECDHN COc1ccc(O)c([C@@H](C)NCc2cnc(OC)nc2C)c1 ZINC000799154120 645134499 /nfs/dbraw/zinc/13/44/99/645134499.db2.gz BQAFENHLWHOOLM-LLVKDONJSA-N 0 3 303.362 2.359 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](c3ccccn3)C1)[C@H](O)CO2 ZINC000799158397 645135237 /nfs/dbraw/zinc/13/52/37/645135237.db2.gz KGVNKWFLMZVATO-YVEFUNNKSA-N 0 3 312.369 2.203 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](c3ccccn3)C1)[C@H](O)CO2 ZINC000799158397 645135240 /nfs/dbraw/zinc/13/52/40/645135240.db2.gz KGVNKWFLMZVATO-YVEFUNNKSA-N 0 3 312.369 2.203 20 10 DECDHN CN(C)c1ccc(CN(C)C(=O)C2(N)Cc3ccccc3C2)cc1 ZINC000843488076 650983675 /nfs/dbraw/zinc/98/36/75/650983675.db2.gz PQWFOLQASVCHNH-UHFFFAOYSA-N 0 3 323.440 2.207 20 10 DECDHN COc1cc(CN2CCC[C@H](OC(=O)N(C)C)C2)c(O)cc1C ZINC000840108668 645975217 /nfs/dbraw/zinc/97/52/17/645975217.db2.gz WANQRQBSFYEHBB-AWEZNQCLSA-N 0 3 322.405 2.372 20 10 DECDHN C[C@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])CCN1CCO ZINC000816574839 647154368 /nfs/dbraw/zinc/15/43/68/647154368.db2.gz UEUSJNUBJQNJTO-AWEZNQCLSA-N 0 3 300.402 2.044 20 10 DECDHN C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])CCN1CCO ZINC000816574839 647154370 /nfs/dbraw/zinc/15/43/70/647154370.db2.gz UEUSJNUBJQNJTO-AWEZNQCLSA-N 0 3 300.402 2.044 20 10 DECDHN C[C@@H](NCC1C[NH2+]C1)c1cc(Br)cc(F)c1[O-] ZINC000817965782 647395854 /nfs/dbraw/zinc/39/58/54/647395854.db2.gz VDEGKTSWSXOASB-SSDOTTSWSA-N 0 3 303.175 2.164 20 10 DECDHN COc1ccc(CNC(=O)[C@H](N)CC2CCCCC2)c(O)c1 ZINC000818000166 647404098 /nfs/dbraw/zinc/40/40/98/647404098.db2.gz IGIQRAJTRBRSBI-OAHLLOKOSA-N 0 3 306.406 2.315 20 10 DECDHN CC[NH+]1CCC(CCNC(=O)NCc2c([O-])cccc2F)CC1 ZINC000920515956 648233755 /nfs/dbraw/zinc/23/37/55/648233755.db2.gz XLPXEXLTFNGROC-UHFFFAOYSA-N 0 3 323.412 2.453 20 10 DECDHN CC[C@H]1CN(C)CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000822616500 648244335 /nfs/dbraw/zinc/24/43/35/648244335.db2.gz HKVHLNSILVZXND-AWEZNQCLSA-N 0 3 317.393 2.405 20 10 DECDHN CN(C)c1ccc(CN2CC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000825124124 648707612 /nfs/dbraw/zinc/70/76/12/648707612.db2.gz IDDOQIPOUWWFNE-OCCSQVGLSA-N 0 3 302.340 2.498 20 10 DECDHN CC(=O)[C@](C)(O)CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000827336179 649016675 /nfs/dbraw/zinc/01/66/75/649016675.db2.gz BONUAADEBSCAIZ-GOSISDBHSA-N 0 3 304.434 2.449 20 10 DECDHN COC1CCN(c2ccc(CN3CCN(C)CC3)cc2)CC1 ZINC000827372532 649025156 /nfs/dbraw/zinc/02/51/56/649025156.db2.gz BOTXTKLBQASCIL-UHFFFAOYSA-N 0 3 303.450 2.049 20 10 DECDHN CCOC(=O)CC1([NH2+]Cc2cc(F)ccc2[O-])CCOCC1 ZINC000827757992 649081833 /nfs/dbraw/zinc/08/18/33/649081833.db2.gz SXABIDMTABAPMD-UHFFFAOYSA-N 0 3 311.353 2.123 20 10 DECDHN CC(C)NC(=O)NCCN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000827798233 649087232 /nfs/dbraw/zinc/08/72/32/649087232.db2.gz JHURXSODWIYXJM-UHFFFAOYSA-N 0 3 318.465 2.425 20 10 DECDHN O=S1(=O)CCC(CC[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000834696872 649832569 /nfs/dbraw/zinc/83/25/69/649832569.db2.gz AGCKNBKMRNULOQ-CQSZACIVSA-N 0 3 309.431 2.184 20 10 DECDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC[C@H](C)C1 ZINC000847400173 651393966 /nfs/dbraw/zinc/39/39/66/651393966.db2.gz ZVGCFQVLGZUQPG-HNNXBMFYSA-N 0 3 303.450 2.443 20 10 DECDHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC000848226683 651445286 /nfs/dbraw/zinc/44/52/86/651445286.db2.gz URTVIWWLCWPDFQ-ZBFHGGJFSA-N 0 3 317.477 2.450 20 10 DECDHN Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c([O-])c1O ZINC000855162592 651637353 /nfs/dbraw/zinc/63/73/53/651637353.db2.gz YWRAONMOWSMQSA-GFCCVEGCSA-N 0 3 306.406 2.256 20 10 DECDHN Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c([O-])c1O ZINC000855162592 651637358 /nfs/dbraw/zinc/63/73/58/651637358.db2.gz YWRAONMOWSMQSA-GFCCVEGCSA-N 0 3 306.406 2.256 20 10 DECDHN COc1cc(Br)cc([C@H](C)[NH2+]C/C=C\CO)c1[O-] ZINC000850508446 651941358 /nfs/dbraw/zinc/94/13/58/651941358.db2.gz MQYGMEVCRVUROR-TYRPZCRBSA-N 0 3 316.195 2.362 20 10 DECDHN C[C@H](N[C@H]1C[C@H](O)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000850578245 651956350 /nfs/dbraw/zinc/95/63/50/651956350.db2.gz IGGQJXCEFIQOFO-OBJOEFQTSA-N 0 3 310.825 2.351 20 10 DECDHN C[C@@H](N[C@H]1C[C@H](O)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000850578246 651956661 /nfs/dbraw/zinc/95/66/61/651956661.db2.gz IGGQJXCEFIQOFO-YRGRVCCFSA-N 0 3 310.825 2.351 20 10 DECDHN CO[C@@H](CNCc1cc(F)c(N(C)C)cc1F)[C@H]1CCOC1 ZINC000858186969 652274947 /nfs/dbraw/zinc/27/49/47/652274947.db2.gz GPCSUGODIZJDLF-ZBEGNZNMSA-N 0 3 314.376 2.172 20 10 DECDHN COc1cccc(CNC(=O)NC[C@H]2CCN2C(C)(C)C)c1O ZINC000854246317 652664350 /nfs/dbraw/zinc/66/43/50/652664350.db2.gz OTKWUGCSRJLBNK-CYBMUJFWSA-N 0 3 321.421 2.073 20 10 DECDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COC1CCOCC1 ZINC000119965670 684090190 /nfs/dbraw/zinc/09/01/90/684090190.db2.gz LGNMAYCXUQTSFB-INIZCTEOSA-N 0 3 323.433 2.161 20 10 DECDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)COC1CCOCC1 ZINC000119965670 684090193 /nfs/dbraw/zinc/09/01/93/684090193.db2.gz LGNMAYCXUQTSFB-INIZCTEOSA-N 0 3 323.433 2.161 20 10 DECDHN CN(C)c1ccc(/C=C/CN(C)[C@H]2CCC(=O)N(C)C2)cc1 ZINC000862428442 686300545 /nfs/dbraw/zinc/30/05/45/686300545.db2.gz QIFZNLHKTRUULL-RTRPANQVSA-N 0 3 301.434 2.318 20 10 DECDHN c1cc(N2CC(NCc3ccc(N4CCCCC4)cc3)C2)ncn1 ZINC000865749103 687321915 /nfs/dbraw/zinc/32/19/15/687321915.db2.gz NSZUBDFUICGNRN-UHFFFAOYSA-N 0 3 323.444 2.445 20 10 DECDHN Cc1ccc(C[NH2+]CCc2nnc3n2CCCCC3)c([O-])c1 ZINC000876920344 689973063 /nfs/dbraw/zinc/97/30/63/689973063.db2.gz OMLDIUCYKYSIGB-UHFFFAOYSA-N 0 3 300.406 2.351 20 10 DECDHN CC(C)(O)CN1CCC([NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000877612522 690167325 /nfs/dbraw/zinc/16/73/25/690167325.db2.gz KDNQLYDRCQKKLE-UHFFFAOYSA-N 0 3 312.841 2.371 20 10 DECDHN Cc1cccc([O-])c1C[NH+]1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000877616609 690168295 /nfs/dbraw/zinc/16/82/95/690168295.db2.gz KWGMAJYIPUIZTN-INIZCTEOSA-N 0 3 302.418 2.437 20 10 DECDHN OC1CCN(c2ccc(CN3C[C@H]4[C@@H](C3)C4(F)F)cc2)CC1 ZINC000877615255 690168488 /nfs/dbraw/zinc/16/84/88/690168488.db2.gz OGEFKVPNHDAANJ-IYBDPMFKSA-N 0 3 308.372 2.345 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1[O-] ZINC000877693874 690194176 /nfs/dbraw/zinc/19/41/76/690194176.db2.gz SWXBGKMJDMMAKT-UPONEAKYSA-N 0 3 313.703 2.456 20 10 DECDHN COc1cc(Cl)cc(CN[C@@H](C)[C@@H](O)C(F)(F)F)c1O ZINC000877693874 690194178 /nfs/dbraw/zinc/19/41/78/690194178.db2.gz SWXBGKMJDMMAKT-UPONEAKYSA-N 0 3 313.703 2.456 20 10 DECDHN CCN(C)c1ccc(CN2CCC(c3nnc(N)o3)CC2)cc1 ZINC000878814210 690506178 /nfs/dbraw/zinc/50/61/78/690506178.db2.gz GGCWWWPQTUFJPB-UHFFFAOYSA-N 0 3 315.421 2.488 20 10 DECDHN COc1ccc(N2CCN([C@H]3CC[C@H](OC)C3)CC2)c(OC)c1 ZINC000879461722 690646519 /nfs/dbraw/zinc/64/65/19/690646519.db2.gz HMUBTYKKHOQDIY-GJZGRUSLSA-N 0 3 320.433 2.393 20 10 DECDHN N[C@H](CC1CC1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000884304893 691705205 /nfs/dbraw/zinc/70/52/05/691705205.db2.gz FKYALSVELLWCIU-JKSUJKDBSA-N 0 3 318.417 2.027 20 10 DECDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c2c1c(F)ccc2[O-] ZINC000926947669 693533613 /nfs/dbraw/zinc/53/36/13/693533613.db2.gz KMXLQLBNRZZSAD-CJWQTGLVSA-N 0 3 307.365 2.473 20 10 DECDHN COc1ccc(C[N@H+](C)C2CCC(CO)CC2)c([O-])c1OC ZINC001343171060 1150701526 /nfs/dbraw/zinc/70/15/26/1150701526.db2.gz SFOLWKYIIMARCS-UHFFFAOYSA-N 0 3 309.406 2.392 20 10 DECDHN COc1ccc(C[N@@H+](C)C2CCC(CO)CC2)c([O-])c1OC ZINC001343171060 1150701538 /nfs/dbraw/zinc/70/15/38/1150701538.db2.gz SFOLWKYIIMARCS-UHFFFAOYSA-N 0 3 309.406 2.392 20 10 DECDHN Cc1cc([C@H](N)CC(=O)NCc2ccc(N)cc2)cc(Cl)n1 ZINC001356228116 1152065850 /nfs/dbraw/zinc/06/58/50/1152065850.db2.gz OKLODJOXHGWLOW-CQSZACIVSA-N 0 3 318.808 2.332 20 10 DECDHN [O-]c1cc(Br)ccc1CN1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001580888016 1184136161 /nfs/dbraw/zinc/13/61/61/1184136161.db2.gz DQKXIKZTTHZRQE-PWSUYJOCSA-N 0 3 311.223 2.196 20 10 DECDHN CCN1CCN(c2ccc(CN3C[C@@H](F)[C@@H](F)C3)cc2)CC1 ZINC001140301871 777043274 /nfs/dbraw/zinc/04/32/74/777043274.db2.gz CADNJVFGJKXYEB-CALCHBBNSA-N 0 3 309.404 2.320 20 10 DECDHN CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)c2cc(O)c([O-])c(O)c2)CC1 ZINC001148590747 791778583 /nfs/dbraw/zinc/77/85/83/791778583.db2.gz OMYZBJSGHZCUCT-BETUJISGSA-N 0 3 322.405 2.186 20 10 DECDHN C[C@@H]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)CCC1=O ZINC001139408806 796372910 /nfs/dbraw/zinc/37/29/10/796372910.db2.gz RJEDOBMPDVKWMJ-MRXNPFEDSA-N 0 3 315.461 2.239 20 10 DECDHN CC(=O)C1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001140285551 796501961 /nfs/dbraw/zinc/50/19/61/796501961.db2.gz OOAUKDZJDSLTFO-UHFFFAOYSA-N 0 3 316.445 2.449 20 10 DECDHN Cc1cccc(N2CCN(Cc3ccc(O)c(C)c3O)CC2)n1 ZINC001140742806 796566120 /nfs/dbraw/zinc/56/61/20/796566120.db2.gz ZYGNFAHNFXSMGX-UHFFFAOYSA-N 0 3 313.401 2.432 20 10 DECDHN CCN(CC)c1ccc(CN2CCO[C@@]3(CCOC3)C2)c(O)c1 ZINC001140850498 796582555 /nfs/dbraw/zinc/58/25/55/796582555.db2.gz NBVCDCHQDGHDRK-SFHVURJKSA-N 0 3 320.433 2.230 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@](F)(CO)CC2)c(OC)c1 ZINC001141031441 796620879 /nfs/dbraw/zinc/62/08/79/796620879.db2.gz DOANERGYOZIBMG-MRXNPFEDSA-N 0 3 313.369 2.096 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CCC[C@](F)(CO)CC2)c(OC)c1 ZINC001141031441 796620884 /nfs/dbraw/zinc/62/08/84/796620884.db2.gz DOANERGYOZIBMG-MRXNPFEDSA-N 0 3 313.369 2.096 20 10 DECDHN COC(=O)[C@H]1CCC[N@H+](Cc2c([O-])cc(OC)cc2OC)[C@@H]1C ZINC001141029285 796621512 /nfs/dbraw/zinc/62/15/12/796621512.db2.gz NZOGRJRBTJIMJX-YPMHNXCESA-N 0 3 323.389 2.183 20 10 DECDHN COC(=O)[C@H]1CCC[N@@H+](Cc2c([O-])cc(OC)cc2OC)[C@@H]1C ZINC001141029285 796621518 /nfs/dbraw/zinc/62/15/18/796621518.db2.gz NZOGRJRBTJIMJX-YPMHNXCESA-N 0 3 323.389 2.183 20 10 DECDHN CC(C)(C)c1cccc(CN2CCN(CCCO)CC2)c1O ZINC001143104546 796802263 /nfs/dbraw/zinc/80/22/63/796802263.db2.gz VCEINZMHVGTXLX-UHFFFAOYSA-N 0 3 306.450 2.190 20 10 DECDHN Cc1nc(NCc2ccc(O)c(O)c2)cc(N2CCCC2)n1 ZINC001158994772 798500806 /nfs/dbraw/zinc/50/08/06/798500806.db2.gz VBRXEWQTTJBMGV-UHFFFAOYSA-N 0 3 300.362 2.409 20 10 DECDHN CCC1(CC)CNC(=O)[C@@H]1NCc1ccc(N(C)C)c(C)c1 ZINC000933285097 800060771 /nfs/dbraw/zinc/06/07/71/800060771.db2.gz OFURZQDCENDYEF-INIZCTEOSA-N 0 3 303.450 2.455 20 10 DECDHN O=C1NC[C@@H](c2ccccc2)[C@@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001203552073 800078186 /nfs/dbraw/zinc/07/81/86/800078186.db2.gz ZAXHOUOYGNKAMT-PXNSSMCTSA-N 0 3 322.408 2.498 20 10 DECDHN O=C1NC[C@@H](c2ccccc2)[C@@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001203552073 800078191 /nfs/dbraw/zinc/07/81/91/800078191.db2.gz ZAXHOUOYGNKAMT-PXNSSMCTSA-N 0 3 322.408 2.498 20 10 DECDHN O=C1NC[C@H](c2ccccc2)[C@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001203552075 800079607 /nfs/dbraw/zinc/07/96/07/800079607.db2.gz ZAXHOUOYGNKAMT-YLJYHZDGSA-N 0 3 322.408 2.498 20 10 DECDHN O=C1NC[C@H](c2ccccc2)[C@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001203552075 800079616 /nfs/dbraw/zinc/07/96/16/800079616.db2.gz ZAXHOUOYGNKAMT-YLJYHZDGSA-N 0 3 322.408 2.498 20 10 DECDHN CCOC(=O)NC1CC[NH+](Cc2ccc(OC)cc2[O-])CC1 ZINC001203634350 800095863 /nfs/dbraw/zinc/09/58/63/800095863.db2.gz AOVQHJSFKVENQH-UHFFFAOYSA-N 0 3 308.378 2.111 20 10 DECDHN CC(C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(O)cc3[O-])CC[C@H]21 ZINC001204274091 800197926 /nfs/dbraw/zinc/19/79/26/800197926.db2.gz IAKALGLYZLIWIQ-XJKSGUPXSA-N 0 3 318.417 2.177 20 10 DECDHN CC(C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(O)cc3[O-])CC[C@H]21 ZINC001204274091 800197930 /nfs/dbraw/zinc/19/79/30/800197930.db2.gz IAKALGLYZLIWIQ-XJKSGUPXSA-N 0 3 318.417 2.177 20 10 DECDHN CC(C)(C)OC(=O)N1C[C@H]2CN(Cc3ccc(O)cc3O)C[C@H]21 ZINC001204277869 800199632 /nfs/dbraw/zinc/19/96/32/800199632.db2.gz MYTZZQXKADTXST-TZMCWYRMSA-N 0 3 320.389 2.149 20 10 DECDHN C[NH+](C)C[C@H]1COCCN1Cc1ccc2ccccc2c1[O-] ZINC001231880448 801743230 /nfs/dbraw/zinc/74/32/30/801743230.db2.gz GEDBJPPSHGJRNZ-INIZCTEOSA-N 0 3 300.402 2.308 20 10 DECDHN CC[NH+]1C[C@H]2CN(Cc3cc(Cl)c(OC)cc3[O-])C[C@@H]2C1 ZINC001232271259 801836353 /nfs/dbraw/zinc/83/63/53/801836353.db2.gz TWJWYTIYBVSOIK-STQMWFEESA-N 0 3 310.825 2.438 20 10 DECDHN COC(=O)c1c(CN2CC[C@@H](CO)[C@H]2C)c2ccccc2n1C ZINC001232401880 801870816 /nfs/dbraw/zinc/87/08/16/801870816.db2.gz FKGDKVUQOLICTL-OLZOCXBDSA-N 0 3 316.401 2.168 20 10 DECDHN COCn1ncc(C)c1CN[C@H](C)c1cc(OC)ccc1O ZINC001330840792 1149312991 /nfs/dbraw/zinc/31/29/91/1149312991.db2.gz KMIFKMCYMRHZRX-GFCCVEGCSA-N 0 3 305.378 2.360 20 10 DECDHN COCn1ncc(C)c1CN[C@@H](C)c1cc(OC)ccc1O ZINC001330840803 1149313128 /nfs/dbraw/zinc/31/31/28/1149313128.db2.gz KMIFKMCYMRHZRX-LBPRGKRZSA-N 0 3 305.378 2.360 20 10 DECDHN CN(C)C[C@H](NC(=O)Cc1ccc(N)cc1)c1ccc(F)cc1 ZINC001524411932 1069940195 /nfs/dbraw/zinc/94/01/95/1069940195.db2.gz CYTVLSPLVUUMCF-KRWDZBQOSA-N 0 3 315.392 2.370 20 10 DECDHN CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc(O)c1[O-] ZINC001472331242 1060477093 /nfs/dbraw/zinc/47/70/93/1060477093.db2.gz PQOGAGPUOONKIH-HIFRSBDPSA-N 0 3 318.417 2.433 20 10 DECDHN Cc1c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc(CN)n1C ZINC001579524198 1067360120 /nfs/dbraw/zinc/36/01/20/1067360120.db2.gz JEUKSKQKUVDBJD-GFCCVEGCSA-N 0 3 314.433 2.349 20 10 DECDHN [O-]c1cccc(Br)c1CN[C@H]1C[NH2+]CCC1(F)F ZINC001580887984 1076014024 /nfs/dbraw/zinc/01/40/24/1076014024.db2.gz BXXWTWLBIZRSOA-NSHDSACASA-N 0 3 321.165 2.242 20 10 DECDHN CN1CCN(c2ccc(CNCc3ncccc3F)cc2)CC1 ZINC001657301621 1080168927 /nfs/dbraw/zinc/16/89/27/1080168927.db2.gz LOBQZQLOFBANBM-UHFFFAOYSA-N 0 3 314.408 2.262 20 10 DECDHN COC(CN(C)Cc1ccc(OCC(F)(F)F)cc1O)OC ZINC001237058021 1080410858 /nfs/dbraw/zinc/41/08/58/1080410858.db2.gz HPEWJVXSKPJXGZ-UHFFFAOYSA-N 0 3 323.311 2.384 20 10 DECDHN CN(C)c1cc(F)c(CN[C@@H]2CC[C@H]([S@](C)=O)C2)cc1F ZINC001663405855 1080741654 /nfs/dbraw/zinc/74/16/54/1080741654.db2.gz UMIHHZAGCVTPTB-IDFMNXDXSA-N 0 3 316.417 2.420 20 10 DECDHN COC(=O)[C@@H]1C[C@@H]2C[C@@H]([NH2+]Cc3ccc(OC)cc3[O-])[C@@H]2C1 ZINC001664450186 1080911541 /nfs/dbraw/zinc/91/15/41/1080911541.db2.gz CCRMWPWWIOXJTE-QHSBEEBCSA-N 0 3 305.374 2.078 20 10 DECDHN COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]Cc3ccc(OC)cc3[O-])[C@@H]2C1 ZINC001664450185 1080911668 /nfs/dbraw/zinc/91/16/68/1080911668.db2.gz CCRMWPWWIOXJTE-GBOPCIDUSA-N 0 3 305.374 2.078 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@H]([S@@](C)=O)C2)c1[O-] ZINC001665837441 1081089020 /nfs/dbraw/zinc/08/90/20/1081089020.db2.gz PHRMLYBXKLHYJT-XAAFQQQXSA-N 0 3 317.838 2.443 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCC[C@@]3(CN(C)CCO3)C2)c([O-])c1 ZINC001276814207 1083627022 /nfs/dbraw/zinc/62/70/22/1083627022.db2.gz FIYNBWKLVFNGGD-GOSISDBHSA-N 0 3 320.433 2.088 20 10 DECDHN CCOc1ccc(C[N@H+]2CCC[C@@]3(CN(C)CCO3)C2)c([O-])c1 ZINC001276814207 1083627031 /nfs/dbraw/zinc/62/70/31/1083627031.db2.gz FIYNBWKLVFNGGD-GOSISDBHSA-N 0 3 320.433 2.088 20 10 DECDHN Cc1cc([O-])c(CN2CC3(CCN3CC[NH+](C)C)C2)cc1Cl ZINC001276372183 1085855021 /nfs/dbraw/zinc/85/50/21/1085855021.db2.gz IMZNUOYXOQWDHR-UHFFFAOYSA-N 0 3 323.868 2.176 20 10 DECDHN C[N@H+]1C[C@H]2CN(Cc3ccc(Br)cc3[O-])C[C@H]2C1 ZINC000706234342 1086636706 /nfs/dbraw/zinc/63/67/06/1086636706.db2.gz GLBZOXCDLJXXOJ-TXEJJXNPSA-N 0 3 311.223 2.148 20 10 DECDHN C[N@@H+]1C[C@H]2CN(Cc3ccc(Br)cc3[O-])C[C@H]2C1 ZINC000706234342 1086636711 /nfs/dbraw/zinc/63/67/11/1086636711.db2.gz GLBZOXCDLJXXOJ-TXEJJXNPSA-N 0 3 311.223 2.148 20 10 DECDHN Cc1cc(CN2CCC[C@]23CCN(C)C3=O)ccc1N(C)C ZINC001273206889 1090080522 /nfs/dbraw/zinc/08/05/22/1090080522.db2.gz SGWANWQFXWWFDH-GOSISDBHSA-N 0 3 301.434 2.258 20 10 DECDHN C[C@@]1(CO)CC[N@H+](Cc2cc3ccccc3cc2[O-])C[C@@H]1O ZINC001236827199 1138441156 /nfs/dbraw/zinc/44/11/56/1138441156.db2.gz RAQXSAAFYQHCHZ-ROUUACIJSA-N 0 3 301.386 2.111 20 10 DECDHN C[C@@]1(CO)CC[N@@H+](Cc2cc3ccccc3cc2[O-])C[C@@H]1O ZINC001236827199 1138441159 /nfs/dbraw/zinc/44/11/59/1138441159.db2.gz RAQXSAAFYQHCHZ-ROUUACIJSA-N 0 3 301.386 2.111 20 10 DECDHN COC(=O)[C@@H]1C[N@H+](Cc2cc3ccccc3cc2[O-])CCCO1 ZINC001236837088 1138441849 /nfs/dbraw/zinc/44/18/49/1138441849.db2.gz NDBWWFYLYMECGP-KRWDZBQOSA-N 0 3 315.369 2.309 20 10 DECDHN COC(=O)[C@@H]1C[N@@H+](Cc2cc3ccccc3cc2[O-])CCCO1 ZINC001236837088 1138441850 /nfs/dbraw/zinc/44/18/50/1138441850.db2.gz NDBWWFYLYMECGP-KRWDZBQOSA-N 0 3 315.369 2.309 20 10 DECDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC001236842509 1138443445 /nfs/dbraw/zinc/44/34/45/1138443445.db2.gz WOKXCLWUZZJQPK-GOSISDBHSA-N 0 3 312.413 2.452 20 10 DECDHN [O-]c1cc2ccccc2cc1C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC001236842509 1138443452 /nfs/dbraw/zinc/44/34/52/1138443452.db2.gz WOKXCLWUZZJQPK-GOSISDBHSA-N 0 3 312.413 2.452 20 10 DECDHN COc1cc([O-])c(CN2CC[NH2+]C[C@H]2C(F)(F)F)c(Cl)c1 ZINC001236980594 1138473267 /nfs/dbraw/zinc/47/32/67/1138473267.db2.gz ITVSJGFDEPWKTJ-LBPRGKRZSA-N 0 3 324.730 2.390 20 10 DECDHN CCOc1ccc(C[NH+]2CCC3(CCOC3=O)CC2)c([O-])c1 ZINC001237043872 1138487767 /nfs/dbraw/zinc/48/77/67/1138487767.db2.gz DIFMJZIWCLAHAU-UHFFFAOYSA-N 0 3 305.374 2.320 20 10 DECDHN CCOc1ccc(C[NH+]2CCC3(CC(=O)N(C)C3)CC2)c([O-])c1 ZINC001237047101 1138488174 /nfs/dbraw/zinc/48/81/74/1138488174.db2.gz RHSWNLQXKWZYIQ-UHFFFAOYSA-N 0 3 318.417 2.235 20 10 DECDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@@H](CO)C1 ZINC001237057303 1138492422 /nfs/dbraw/zinc/49/24/22/1138492422.db2.gz QITHSKCZZIEESC-SNVBAGLBSA-N 0 3 305.296 2.148 20 10 DECDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@@H](CO)C1 ZINC001237057303 1138492427 /nfs/dbraw/zinc/49/24/27/1138492427.db2.gz QITHSKCZZIEESC-SNVBAGLBSA-N 0 3 305.296 2.148 20 10 DECDHN COC(=O)[C@@H]1CN(Cc2ccc(C(C)C)cc2O)CCCO1 ZINC001237055821 1138492859 /nfs/dbraw/zinc/49/28/59/1138492859.db2.gz QRPLBYSTAXEZJT-INIZCTEOSA-N 0 3 307.390 2.280 20 10 DECDHN OCCCCN1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001237204966 1138531904 /nfs/dbraw/zinc/53/19/04/1138531904.db2.gz JJGBZTUNVMBIQO-UHFFFAOYSA-N 0 3 318.339 2.480 20 10 DECDHN Cc1cccc([O-])c1C[NH+]1C[C@H]2CN(c3ncccn3)C[C@@H]2C1 ZINC001237486887 1138654007 /nfs/dbraw/zinc/65/40/07/1138654007.db2.gz VFKMUWGQQIGLOM-GJZGRUSLSA-N 0 3 310.401 2.059 20 10 DECDHN C[C@H]1CN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CCCO1 ZINC001319717110 1140685999 /nfs/dbraw/zinc/68/59/99/1140685999.db2.gz UQQXERJCQDSCRY-HNNXBMFYSA-N 0 3 321.440 2.188 20 10 DECDHN Cc1nn(CCO)c(C)c1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC001320397994 1140860461 /nfs/dbraw/zinc/86/04/61/1140860461.db2.gz NECQPLNXRHNYSX-CYBMUJFWSA-N 0 3 316.449 2.409 20 10 DECDHN COC(=O)Cc1ccc(CN(C)Cc2ccncc2)c(O)c1 ZINC001249171792 1141856701 /nfs/dbraw/zinc/85/67/01/1141856701.db2.gz FWKGBNYMKQRGBW-UHFFFAOYSA-N 0 3 300.358 2.135 20 10 DECDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)c([O-])c1 ZINC001249178803 1141856984 /nfs/dbraw/zinc/85/69/84/1141856984.db2.gz VXUMLBHJOFMMQZ-WMLDXEAASA-N 0 3 319.401 2.109 20 10 DECDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)c([O-])c1 ZINC001249178803 1141856985 /nfs/dbraw/zinc/85/69/85/1141856985.db2.gz VXUMLBHJOFMMQZ-WMLDXEAASA-N 0 3 319.401 2.109 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccns2)N(C)C)cc1 ZINC001336115416 1142360679 /nfs/dbraw/zinc/36/06/79/1142360679.db2.gz ZQTNEOBGJRNLDZ-CQSZACIVSA-N 0 3 318.446 2.242 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)c([O-])c1 ZINC001337026976 1142663489 /nfs/dbraw/zinc/66/34/89/1142663489.db2.gz ZWVJSPLCFYNKRU-CQSZACIVSA-N 0 3 318.417 2.282 20 10 DECDHN CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)c([O-])c1 ZINC001337026976 1142663493 /nfs/dbraw/zinc/66/34/93/1142663493.db2.gz ZWVJSPLCFYNKRU-CQSZACIVSA-N 0 3 318.417 2.282 20 10 DECDHN CCOC(=O)CN1CCC([NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC001254395097 1143100233 /nfs/dbraw/zinc/10/02/33/1143100233.db2.gz CDEAIVAJPMXRGP-CYBMUJFWSA-N 0 3 306.406 2.070 20 10 DECDHN CCNC(=O)N1CC[C@H](N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000090410746 185294812 /nfs/dbraw/zinc/29/48/12/185294812.db2.gz OUVWMFXSNXSBTO-HIFRSBDPSA-N 0 3 304.438 2.207 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](c3ncc[nH]3)C1)OCO2 ZINC000092073571 355617328 /nfs/dbraw/zinc/61/73/28/355617328.db2.gz QICYOYNDIWSYAR-NSHDSACASA-N 0 3 301.346 2.224 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](c3ncc[nH]3)C1)OCO2 ZINC000092073571 355617332 /nfs/dbraw/zinc/61/73/32/355617332.db2.gz QICYOYNDIWSYAR-NSHDSACASA-N 0 3 301.346 2.224 20 10 DECDHN [O-]c1ccc(Br)cc1C[NH+]1CCC(CO)CC1 ZINC000305723071 356402123 /nfs/dbraw/zinc/40/21/23/356402123.db2.gz DNEZLPNRUXWDQR-UHFFFAOYSA-N 0 3 300.196 2.359 20 10 DECDHN COc1cccc(CN2CCC(Oc3cnccn3)CC2)c1O ZINC000369670226 533476922 /nfs/dbraw/zinc/47/69/22/533476922.db2.gz KFFQPGVGZPVDEE-UHFFFAOYSA-N 0 3 315.373 2.234 20 10 DECDHN COc1cccc(CN2CCOC3(CCOCC3)CC2)c1O ZINC000372128635 533481655 /nfs/dbraw/zinc/48/16/55/533481655.db2.gz NYXWTAMWVWSPQF-UHFFFAOYSA-N 0 3 307.390 2.172 20 10 DECDHN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H](N2CCCCC2)C1 ZINC000272541577 130038992 /nfs/dbraw/zinc/03/89/92/130038992.db2.gz XZXDOESUXMUEMI-ZKKXHLJNSA-N 0 3 316.401 2.198 20 10 DECDHN C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1cc2c(cc1[O-])CCCC2 ZINC000273404497 130117733 /nfs/dbraw/zinc/11/77/33/130117733.db2.gz ODUYCVSGDVXNOE-QWHCGFSZSA-N 0 3 323.458 2.356 20 10 DECDHN Cc1cccc(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1[O-] ZINC000275150115 130295409 /nfs/dbraw/zinc/29/54/09/130295409.db2.gz SAOQNNAMYXTCLT-GFCCVEGCSA-N 0 3 316.323 2.201 20 10 DECDHN Cc1cccc(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1[O-] ZINC000275150115 130295411 /nfs/dbraw/zinc/29/54/11/130295411.db2.gz SAOQNNAMYXTCLT-GFCCVEGCSA-N 0 3 316.323 2.201 20 10 DECDHN O=C(N1CCCC1)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000289190980 131364587 /nfs/dbraw/zinc/36/45/87/131364587.db2.gz AVEOZYSEEWCMGP-OAHLLOKOSA-N 0 3 321.396 2.301 20 10 DECDHN COc1cccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC000113343236 401777048 /nfs/dbraw/zinc/77/70/48/401777048.db2.gz USBVMKMJSUGQFI-ZDUSSCGKSA-N 0 3 322.405 2.500 20 10 DECDHN CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cccc(OC)c1[O-])CC2 ZINC000093614045 402017220 /nfs/dbraw/zinc/01/72/20/402017220.db2.gz BCDRZFMYILVYSD-JKSUJKDBSA-N 0 3 321.417 2.153 20 10 DECDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](CNC(C)=O)C2)c1 ZINC000155571085 402261213 /nfs/dbraw/zinc/26/12/13/402261213.db2.gz WYRUFNFDBKPIDM-CQSZACIVSA-N 0 3 306.406 2.139 20 10 DECDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](CNC(C)=O)C2)c1 ZINC000155571085 402261215 /nfs/dbraw/zinc/26/12/15/402261215.db2.gz WYRUFNFDBKPIDM-CQSZACIVSA-N 0 3 306.406 2.139 20 10 DECDHN CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000185013791 402316666 /nfs/dbraw/zinc/31/66/66/402316666.db2.gz URMFOLXUGSXQAV-AWEZNQCLSA-N 0 3 309.429 2.210 20 10 DECDHN CCOC(=O)N1CC[C@H]([NH2+]Cc2cc(OCC)ccc2[O-])C1 ZINC000185785601 402376927 /nfs/dbraw/zinc/37/69/27/402376927.db2.gz LQJCDAACNPNLFA-ZDUSSCGKSA-N 0 3 308.378 2.111 20 10 DECDHN CCOCc1cc(CNC[C@@]2(O)CCSC2)ccc1OC ZINC000176751496 402333945 /nfs/dbraw/zinc/33/39/45/402333945.db2.gz ZCDYTURPPMYXOC-INIZCTEOSA-N 0 3 311.447 2.189 20 10 DECDHN COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(C)cc1[O-])CC2 ZINC000186103239 402402089 /nfs/dbraw/zinc/40/20/89/402402089.db2.gz KCRIIOFTVVVEBZ-OLZOCXBDSA-N 0 3 316.405 2.104 20 10 DECDHN C[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1cc(F)ccc1[O-] ZINC000186375833 402426223 /nfs/dbraw/zinc/42/62/23/402426223.db2.gz VPJHRKJFBJYHQK-DGCLKSJQSA-N 0 3 311.353 2.104 20 10 DECDHN COc1ccc(O)c(CN2CCN(c3cccc(O)c3)CC2)c1 ZINC000179621306 402596359 /nfs/dbraw/zinc/59/63/59/402596359.db2.gz HRTKCUSULLXWMK-UHFFFAOYSA-N 0 3 314.385 2.429 20 10 DECDHN Cc1cccc(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c1[O-] ZINC000179702255 402598249 /nfs/dbraw/zinc/59/82/49/402598249.db2.gz VXULKHIGRDKZQJ-INIZCTEOSA-N 0 3 302.418 2.439 20 10 DECDHN Cc1cccc(C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c1[O-] ZINC000179702255 402598251 /nfs/dbraw/zinc/59/82/51/402598251.db2.gz VXULKHIGRDKZQJ-INIZCTEOSA-N 0 3 302.418 2.439 20 10 DECDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1 ZINC000183240948 402749737 /nfs/dbraw/zinc/74/97/37/402749737.db2.gz NPQGQCFGHPKEOG-CQSZACIVSA-N 0 3 307.390 2.376 20 10 DECDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1 ZINC000183240948 402749739 /nfs/dbraw/zinc/74/97/39/402749739.db2.gz NPQGQCFGHPKEOG-CQSZACIVSA-N 0 3 307.390 2.376 20 10 DECDHN CC(C)N1CCC(O)(C[NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000271868299 402884976 /nfs/dbraw/zinc/88/49/76/402884976.db2.gz WZBFVBCLFXBMKG-UHFFFAOYSA-N 0 3 312.841 2.371 20 10 DECDHN COc1c([O-])c(CN[C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000278947639 402889564 /nfs/dbraw/zinc/88/95/64/402889564.db2.gz YZLBMJUNQBVQPO-CHWSQXEVSA-N 0 3 321.377 2.025 20 10 DECDHN COc1c([O-])c(CN[C@@H]2CC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000278947639 402889565 /nfs/dbraw/zinc/88/95/65/402889565.db2.gz YZLBMJUNQBVQPO-CHWSQXEVSA-N 0 3 321.377 2.025 20 10 DECDHN CN(C)c1ccc(CN[C@]2(CO)CCOC2)c(C(F)(F)F)c1 ZINC000279915409 402965133 /nfs/dbraw/zinc/96/51/33/402965133.db2.gz MJCWKEDRRMPYTK-AWEZNQCLSA-N 0 3 318.339 2.012 20 10 DECDHN Cc1cccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c1[O-] ZINC000282980923 403164339 /nfs/dbraw/zinc/16/43/39/403164339.db2.gz JIIYOTOFKQGYHD-NVXWUHKLSA-N 0 3 305.418 2.358 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCOC[C@H](C3CCC3)C1)OCO2 ZINC000292164242 403310216 /nfs/dbraw/zinc/31/02/16/403310216.db2.gz WOOBWOSQJFNDBZ-CQSZACIVSA-N 0 3 305.374 2.369 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCOC[C@H](C3CCC3)C1)OCO2 ZINC000292164242 403310219 /nfs/dbraw/zinc/31/02/19/403310219.db2.gz WOOBWOSQJFNDBZ-CQSZACIVSA-N 0 3 305.374 2.369 20 10 DECDHN CC(C)[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)N1CCN(C)CC1 ZINC000295909307 404018852 /nfs/dbraw/zinc/01/88/52/404018852.db2.gz JCZXMMUUZGFQCX-IAGOWNOFSA-N 0 3 317.477 2.241 20 10 DECDHN COc1cc([O-])c(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)cc1OC ZINC000290559462 404220384 /nfs/dbraw/zinc/22/03/84/404220384.db2.gz SGJRZQXVHYBHQO-TZMCWYRMSA-N 0 3 308.422 2.181 20 10 DECDHN COc1cc([O-])c(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)cc1OC ZINC000290559462 404220385 /nfs/dbraw/zinc/22/03/85/404220385.db2.gz SGJRZQXVHYBHQO-TZMCWYRMSA-N 0 3 308.422 2.181 20 10 DECDHN O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc3c(cc2[O-])OCO3)cc1 ZINC000194188930 225176189 /nfs/dbraw/zinc/17/61/89/225176189.db2.gz WYIANUNDCAVNLK-UHFFFAOYSA-N 0 3 316.313 2.361 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](c3nccn3C)C2)cc1OC ZINC000371366957 227070520 /nfs/dbraw/zinc/07/05/20/227070520.db2.gz QYUNPOBBXZDRCV-GFCCVEGCSA-N 0 3 317.389 2.132 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](c3nccn3C)C2)cc1OC ZINC000371366957 227070524 /nfs/dbraw/zinc/07/05/24/227070524.db2.gz QYUNPOBBXZDRCV-GFCCVEGCSA-N 0 3 317.389 2.132 20 10 DECDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CCN[C@H](C)[C@H]1C ZINC000418100992 229219557 /nfs/dbraw/zinc/21/95/57/229219557.db2.gz QPJMPPASNSEYSH-ZIAGYGMSSA-N 0 3 314.433 2.379 20 10 DECDHN C[C@@H]1CN(CCC[NH2+][C@@H]2CCc3cccc([O-])c32)CCCO1 ZINC000296618179 274347890 /nfs/dbraw/zinc/34/78/90/274347890.db2.gz YYXYNCJQLYLCGY-GDBMZVCRSA-N 0 3 304.434 2.470 20 10 DECDHN CN(C)C(=O)CCNCc1ccc(N(C)C)cc1C(F)(F)F ZINC000280880099 276751029 /nfs/dbraw/zinc/75/10/29/276751029.db2.gz NFEAAMGTDRJUBX-UHFFFAOYSA-N 0 3 317.355 2.339 20 10 DECDHN CC[C@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000285977117 288059435 /nfs/dbraw/zinc/05/94/35/288059435.db2.gz HMARHLMJRZXVTI-BBRMVZONSA-N 0 3 309.429 2.208 20 10 DECDHN COc1ccc([O-])c([C@H](C)[NH2+]CCN2CCOC(C)(C)C2)c1 ZINC000185361264 333207566 /nfs/dbraw/zinc/20/75/66/333207566.db2.gz PBZCYQJOPRDBPR-ZDUSSCGKSA-N 0 3 308.422 2.162 20 10 DECDHN Cc1ccc([O-])c(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)c1 ZINC000369101268 534193863 /nfs/dbraw/zinc/19/38/63/534193863.db2.gz VTTJWMWENLGMHX-INIZCTEOSA-N 0 3 301.390 2.369 20 10 DECDHN C[NH+](C)CCCC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000189549763 524051686 /nfs/dbraw/zinc/05/16/86/524051686.db2.gz XKZLNYVAGDPMRI-UHFFFAOYSA-N 0 3 306.406 2.292 20 10 DECDHN C[C@H]1C[C@H](NC(=O)N(C)Cc2ccccc2O)CN1C1CC1 ZINC000130694404 524911176 /nfs/dbraw/zinc/91/11/76/524911176.db2.gz ASZPGXIJGABGPY-JSGCOSHPSA-N 0 3 303.406 2.159 20 10 DECDHN C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccccc2O)CN1C1CC1 ZINC000130694182 525426378 /nfs/dbraw/zinc/42/63/78/525426378.db2.gz ASZPGXIJGABGPY-OCCSQVGLSA-N 0 3 303.406 2.159 20 10 DECDHN Cc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c([O-])c1O ZINC000182318296 526106848 /nfs/dbraw/zinc/10/68/48/526106848.db2.gz CUQQPWNWISBCFR-AWEZNQCLSA-N 0 3 318.417 2.497 20 10 DECDHN Cc1cc(C(=O)N2C[C@H](C)NC[C@@H]2C)c(C)n1-c1ccccn1 ZINC000237532989 526262542 /nfs/dbraw/zinc/26/25/42/526262542.db2.gz BXCYTXMISLFAAQ-JSGCOSHPSA-N 0 3 312.417 2.312 20 10 DECDHN COc1cc([O-])c(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)cc1OC ZINC000273123684 536856002 /nfs/dbraw/zinc/85/60/02/536856002.db2.gz ADEXIUFTQFEOOL-IRXDYDNUSA-N 0 3 307.390 2.457 20 10 DECDHN CC(C)N1CC[C@H](NC/C=C/c2ccc(N(C)C)cc2)C1=O ZINC000835040049 649870254 /nfs/dbraw/zinc/87/02/54/649870254.db2.gz MZAVGVOPSCWADV-RTRPANQVSA-N 0 3 301.434 2.365 20 10 DECDHN CO[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(C)C ZINC000891248350 623792661 /nfs/dbraw/zinc/79/26/61/623792661.db2.gz KYHJESYIYKCQKN-IAGOWNOFSA-N 0 3 321.465 2.143 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)c2cc[nH]c2)N(C)C)cc1 ZINC000891252432 623798324 /nfs/dbraw/zinc/79/83/24/623798324.db2.gz LIOLJPQBVRHWFK-INIZCTEOSA-N 0 3 300.406 2.113 20 10 DECDHN CCN1CCCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001024819386 625066037 /nfs/dbraw/zinc/06/60/37/625066037.db2.gz ODLXAXPJDMGCSD-CQSZACIVSA-N 0 3 317.393 2.453 20 10 DECDHN Cc1cc(N(C)C)ccc1CNCC(=O)NCc1ccco1 ZINC000840928593 634582804 /nfs/dbraw/zinc/58/28/04/634582804.db2.gz AEGICLYUZLYWQD-UHFFFAOYSA-N 0 3 301.390 2.060 20 10 DECDHN C[N@H+](CCCO)C1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000093394933 633927232 /nfs/dbraw/zinc/92/72/32/633927232.db2.gz BDVFGQLANNFWDI-UHFFFAOYSA-N 0 3 312.841 2.324 20 10 DECDHN C[N@@H+](CCCO)C1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000093394933 633927236 /nfs/dbraw/zinc/92/72/36/633927236.db2.gz BDVFGQLANNFWDI-UHFFFAOYSA-N 0 3 312.841 2.324 20 10 DECDHN COc1cccc([O-])c1C[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000840964254 635813758 /nfs/dbraw/zinc/81/37/58/635813758.db2.gz VLLXKOXTHVSNRA-ZDUSSCGKSA-N 0 3 305.349 2.406 20 10 DECDHN NC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000895001414 637363012 /nfs/dbraw/zinc/36/30/12/637363012.db2.gz SAZUQFZXWONVPS-GOSISDBHSA-N 0 3 314.360 2.160 20 10 DECDHN NC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000895001414 637363017 /nfs/dbraw/zinc/36/30/17/637363017.db2.gz SAZUQFZXWONVPS-GOSISDBHSA-N 0 3 314.360 2.160 20 10 DECDHN Cc1cc(Br)cc(CN2C[C@@H](O)C[C@H]2C)c1O ZINC000788269029 637541517 /nfs/dbraw/zinc/54/15/17/637541517.db2.gz KEBOJWKRICFRFA-SKDRFNHKSA-N 0 3 300.196 2.418 20 10 DECDHN COc1ccc(CN(CCO)Cc2cccc(OC)c2O)cc1 ZINC000895710145 638156668 /nfs/dbraw/zinc/15/66/68/638156668.db2.gz HAUBNZJJPFQBOJ-UHFFFAOYSA-N 0 3 317.385 2.404 20 10 DECDHN CCCN(CC)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000746107435 638311375 /nfs/dbraw/zinc/31/13/75/638311375.db2.gz GLTXACXSCFGGHR-UHFFFAOYSA-N 0 3 319.449 2.076 20 10 DECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]([C@]2(C)COC(=O)N2)C1 ZINC000896396389 638502004 /nfs/dbraw/zinc/50/20/04/638502004.db2.gz PJNFKAIJHYUCPN-PXAZEXFGSA-N 0 3 320.389 2.111 20 10 DECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]([C@]2(C)COC(=O)N2)C1 ZINC000896396389 638502009 /nfs/dbraw/zinc/50/20/09/638502009.db2.gz PJNFKAIJHYUCPN-PXAZEXFGSA-N 0 3 320.389 2.111 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]CCc2cc(C)n(C)n2)c1[O-] ZINC000896819065 638696128 /nfs/dbraw/zinc/69/61/28/638696128.db2.gz KVWMYAHPWSAOMJ-UHFFFAOYSA-N 0 3 309.797 2.428 20 10 DECDHN COc1cccc([O-])c1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000753571410 639315171 /nfs/dbraw/zinc/31/51/71/639315171.db2.gz OAEZAJAFGPCXGM-AWEZNQCLSA-N 0 3 321.417 2.418 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)c([O-])c1 ZINC000756137994 639629887 /nfs/dbraw/zinc/62/98/87/639629887.db2.gz MXRUEOVYZSTBPP-UHFFFAOYSA-N 0 3 300.358 2.450 20 10 DECDHN CCOc1ccc(C[N@H+]2CCc3cc[nH]c(=O)c3C2)c([O-])c1 ZINC000756137994 639629891 /nfs/dbraw/zinc/62/98/91/639629891.db2.gz MXRUEOVYZSTBPP-UHFFFAOYSA-N 0 3 300.358 2.450 20 10 DECDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCN2CCCC2)c1 ZINC000756359295 639653972 /nfs/dbraw/zinc/65/39/72/639653972.db2.gz DCHWPXUCNNSRTD-ZDUSSCGKSA-N 0 3 306.406 2.315 20 10 DECDHN CCNC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)C1 ZINC000756761946 639692868 /nfs/dbraw/zinc/69/28/68/639692868.db2.gz VJYDLHHCCKERIW-NTZNESFSSA-N 0 3 321.396 2.473 20 10 DECDHN COC(=O)C1([C@@]2(O)CCC[N@H+](Cc3ccccc3[O-])C2)CCC1 ZINC000897700568 640908916 /nfs/dbraw/zinc/90/89/16/640908916.db2.gz VMYWBNXHKSDPPO-GOSISDBHSA-N 0 3 319.401 2.062 20 10 DECDHN COC(=O)C1([C@@]2(O)CCC[N@@H+](Cc3ccccc3[O-])C2)CCC1 ZINC000897700568 640908918 /nfs/dbraw/zinc/90/89/18/640908918.db2.gz VMYWBNXHKSDPPO-GOSISDBHSA-N 0 3 319.401 2.062 20 10 DECDHN CN(C)c1ccc(/C=C/CNCc2cnc3n2CCOC3)cc1 ZINC000898267001 641076228 /nfs/dbraw/zinc/07/62/28/641076228.db2.gz YREOTKDQOJWVBC-ONEGZZNKSA-N 0 3 312.417 2.282 20 10 DECDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C1Cc2ccccc2C1 ZINC000768441706 641080811 /nfs/dbraw/zinc/08/08/11/641080811.db2.gz GIQGAIJFDOTMKM-GOSISDBHSA-N 0 3 311.381 2.417 20 10 DECDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C1Cc2ccccc2C1 ZINC000768441706 641080815 /nfs/dbraw/zinc/08/08/15/641080815.db2.gz GIQGAIJFDOTMKM-GOSISDBHSA-N 0 3 311.381 2.417 20 10 DECDHN COc1cccc([O-])c1C[NH+]1CCC(C(=O)N(C)C(C)C)CC1 ZINC000768869342 641137466 /nfs/dbraw/zinc/13/74/66/641137466.db2.gz VBURMRNWSQDYCQ-UHFFFAOYSA-N 0 3 320.433 2.480 20 10 DECDHN CCN(CC)C(=O)[C@H]1CCCN1Cc1c(O)cccc1OC ZINC000769120321 641179230 /nfs/dbraw/zinc/17/92/30/641179230.db2.gz KWYHKGOKCSWHAY-CQSZACIVSA-N 0 3 306.406 2.234 20 10 DECDHN C[C@H]1C[C@H](NCCF)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000989838074 641246438 /nfs/dbraw/zinc/24/64/38/641246438.db2.gz JNYCHDVOOGNUOS-GWCFXTLKSA-N 0 3 321.356 2.011 20 10 DECDHN CCOCCO[C@H]1CC[N@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000770389712 641364101 /nfs/dbraw/zinc/36/41/01/641364101.db2.gz XGKBFGMHMHUNJF-INIZCTEOSA-N 0 3 309.406 2.418 20 10 DECDHN CCOCCO[C@H]1CC[N@@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000770389712 641364106 /nfs/dbraw/zinc/36/41/06/641364106.db2.gz XGKBFGMHMHUNJF-INIZCTEOSA-N 0 3 309.406 2.418 20 10 DECDHN COc1cc(O)c(CN[C@@H](CO)c2ccsc2)cc1OC ZINC000770667166 641405283 /nfs/dbraw/zinc/40/52/83/641405283.db2.gz DPADVIWOKAXRSU-LBPRGKRZSA-N 0 3 309.387 2.294 20 10 DECDHN Cc1cc(CNC[C@H](c2ccc(N(C)C)cc2)N(C)C)on1 ZINC000898448414 641659970 /nfs/dbraw/zinc/65/99/70/641659970.db2.gz RJYFAMSLYVLVCY-QGZVFWFLSA-N 0 3 302.422 2.442 20 10 DECDHN Cc1nnc(CNC[C@@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000898448450 641660697 /nfs/dbraw/zinc/66/06/97/641660697.db2.gz SRAVPZAMVSHDQA-HNNXBMFYSA-N 0 3 319.478 2.305 20 10 DECDHN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccnn1C ZINC000774135567 641867795 /nfs/dbraw/zinc/86/77/95/641867795.db2.gz RSRRMSCHLFITNJ-AWEZNQCLSA-N 0 3 300.406 2.108 20 10 DECDHN CC(C)N(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899102999 641935292 /nfs/dbraw/zinc/93/52/92/641935292.db2.gz UOLKRDZUQXQPCZ-MRXNPFEDSA-N 0 3 306.454 2.405 20 10 DECDHN C[C@@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)[C@H]1C ZINC000899104912 641936590 /nfs/dbraw/zinc/93/65/90/641936590.db2.gz SRZOQQFUZAXSID-KEYYUXOJSA-N 0 3 318.465 2.405 20 10 DECDHN COC(=O)/C(C)=C\CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775255931 642022253 /nfs/dbraw/zinc/02/22/53/642022253.db2.gz SBDZTOXRYCKAKQ-CKNOQMABSA-N 0 3 318.417 2.293 20 10 DECDHN CC[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccccc1[O-] ZINC000775498150 642052482 /nfs/dbraw/zinc/05/24/82/642052482.db2.gz XXVTUXNQTQBIRW-CYBMUJFWSA-N 0 3 314.451 2.151 20 10 DECDHN COc1cc(C)cc(CN2CCC(O)(C(F)F)CC2)c1O ZINC000777574010 642283124 /nfs/dbraw/zinc/28/31/24/642283124.db2.gz FAVCFMZMQIPUSE-UHFFFAOYSA-N 0 3 301.333 2.301 20 10 DECDHN CCOc1ccc(C[NH2+][C@@]2(CO)C[C@H](OCC)C2(C)C)c([O-])c1 ZINC000780593262 642647750 /nfs/dbraw/zinc/64/77/50/642647750.db2.gz CXYIBFVSWCZTSV-FUHWJXTLSA-N 0 3 323.433 2.447 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](c3cccnc3)C1)[C@@H](O)CO2 ZINC000842625035 650785778 /nfs/dbraw/zinc/78/57/78/650785778.db2.gz HSUCDLBWLVUBFT-DYVFJYSZSA-N 0 3 312.369 2.203 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](c3cccnc3)C1)[C@@H](O)CO2 ZINC000842625035 650785784 /nfs/dbraw/zinc/78/57/84/650785784.db2.gz HSUCDLBWLVUBFT-DYVFJYSZSA-N 0 3 312.369 2.203 20 10 DECDHN CCOc1ccc(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)c([O-])c1 ZINC000842758563 650818540 /nfs/dbraw/zinc/81/85/40/650818540.db2.gz MDSIKLIPNLUOJI-KRWDZBQOSA-N 0 3 309.406 2.058 20 10 DECDHN Cn1cc([C@@]2(C[NH2+][C@@H]3CCc4cccc([O-])c43)CCCO2)cn1 ZINC000903359039 643326521 /nfs/dbraw/zinc/32/65/21/643326521.db2.gz CGORPFRLKRCNAO-QAPCUYQASA-N 0 3 313.401 2.409 20 10 DECDHN C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1nccn1C ZINC000903448610 643354767 /nfs/dbraw/zinc/35/47/67/643354767.db2.gz QRYZUOAXLKNNHC-YOEHRIQHSA-N 0 3 315.465 2.440 20 10 DECDHN COc1cc(Br)cc(C[NH2+]CCC[C@@H](C)O)c1[O-] ZINC000788524927 643620660 /nfs/dbraw/zinc/62/06/60/643620660.db2.gz ZGPUUUZDUKXEFW-SECBINFHSA-N 0 3 318.211 2.414 20 10 DECDHN CSC[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000793794790 644304884 /nfs/dbraw/zinc/30/48/84/644304884.db2.gz DEJIDKMVWDLMGX-ABAIWWIYSA-N 0 3 309.431 2.393 20 10 DECDHN CSC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000793794790 644304890 /nfs/dbraw/zinc/30/48/90/644304890.db2.gz DEJIDKMVWDLMGX-ABAIWWIYSA-N 0 3 309.431 2.393 20 10 DECDHN CC[C@H]([NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1)c1ccc(C)cc1[O-] ZINC000794817984 644480276 /nfs/dbraw/zinc/48/02/76/644480276.db2.gz RWPRAMVJGLBBJW-QRTARXTBSA-N 0 3 320.433 2.377 20 10 DECDHN Cc1cnn(C)c1CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000796275514 644710468 /nfs/dbraw/zinc/71/04/68/644710468.db2.gz AESVQYPGLIFSBV-OAHLLOKOSA-N 0 3 314.433 2.416 20 10 DECDHN O=C1c2ccccc2C(=O)N1CCC[NH2+]Cc1ccccc1[O-] ZINC000796499377 644746005 /nfs/dbraw/zinc/74/60/05/644746005.db2.gz LJUZKLOAPZOHCQ-UHFFFAOYSA-N 0 3 310.353 2.168 20 10 DECDHN [O-]c1ccc(F)cc1C[NH2+]Cc1ccccc1Cn1cncn1 ZINC000802652782 645539512 /nfs/dbraw/zinc/53/95/12/645539512.db2.gz UBZJVEVOWZAENM-UHFFFAOYSA-N 0 3 312.348 2.461 20 10 DECDHN COC(=O)c1cc(CNCc2ccc3c(c2)CCO3)cn1C ZINC000809612585 646247087 /nfs/dbraw/zinc/24/70/87/646247087.db2.gz RQNXOXQFFQOONO-UHFFFAOYSA-N 0 3 300.358 2.036 20 10 DECDHN COc1ccc(CNCc2cnnn2Cc2ccccc2)c(O)c1 ZINC000814170395 646856279 /nfs/dbraw/zinc/85/62/79/646856279.db2.gz WUYNRBDTVBYCDV-UHFFFAOYSA-N 0 3 324.384 2.330 20 10 DECDHN CCO[C@@H]1C[C@H](NCc2ccc3c(c2)CCO3)[C@H]1n1cccn1 ZINC000815166920 646982650 /nfs/dbraw/zinc/98/26/50/646982650.db2.gz MKFVWFRKMWLZRB-CGTJXYLNSA-N 0 3 313.401 2.326 20 10 DECDHN CC[N@H+](Cc1cc(Br)cc(OC)c1[O-])[C@@H](C)CO ZINC000816653718 647162746 /nfs/dbraw/zinc/16/27/46/647162746.db2.gz FSQKJQINBJNLRX-VIFPVBQESA-N 0 3 318.211 2.366 20 10 DECDHN CC[N@@H+](Cc1cc(Br)cc(OC)c1[O-])[C@@H](C)CO ZINC000816653718 647162748 /nfs/dbraw/zinc/16/27/48/647162748.db2.gz FSQKJQINBJNLRX-VIFPVBQESA-N 0 3 318.211 2.366 20 10 DECDHN COc1ccc(N2CC[C@H](CNCc3nccn3C)C2)cc1 ZINC000818220083 647435095 /nfs/dbraw/zinc/43/50/95/647435095.db2.gz IWYXMKQBKFVPJQ-CQSZACIVSA-N 0 3 300.406 2.045 20 10 DECDHN COc1ccc(N2CC[C@@H](CNCc3cn(C)cn3)C2)cc1 ZINC000818220626 647435865 /nfs/dbraw/zinc/43/58/65/647435865.db2.gz HRQWZSHZMXENBP-AWEZNQCLSA-N 0 3 300.406 2.045 20 10 DECDHN COc1ccc(N2CC[C@H](CNCc3ccn(C)n3)C2)cc1 ZINC000818222969 647435945 /nfs/dbraw/zinc/43/59/45/647435945.db2.gz ZJPLTLAYWGKQFI-CQSZACIVSA-N 0 3 300.406 2.045 20 10 DECDHN COCCN(CCO)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000824694627 648637356 /nfs/dbraw/zinc/63/73/56/648637356.db2.gz PUIADDBDZXOBOQ-UHFFFAOYSA-N 0 3 311.422 2.139 20 10 DECDHN CCN(CC)c1ccc(CN[C@H]2CC(=O)N(CC)C2)cc1F ZINC000824887313 648667152 /nfs/dbraw/zinc/66/71/52/648667152.db2.gz ULJSPHHJJZBQJT-AWEZNQCLSA-N 0 3 307.413 2.382 20 10 DECDHN C[N@@H+]1CC[C@@H]2CN(Cc3ccc(Br)cc3[O-])C[C@@H]21 ZINC000826065065 648845025 /nfs/dbraw/zinc/84/50/25/648845025.db2.gz TXKPLNHXGGGOOX-MFKMUULPSA-N 0 3 311.223 2.291 20 10 DECDHN C[N@H+]1CC[C@@H]2CN(Cc3ccc(Br)cc3[O-])C[C@@H]21 ZINC000826065065 648845029 /nfs/dbraw/zinc/84/50/29/648845029.db2.gz TXKPLNHXGGGOOX-MFKMUULPSA-N 0 3 311.223 2.291 20 10 DECDHN CN(C)c1ccc(CN2CC[C@H](Cn3ccnn3)C2)cc1F ZINC000826845930 648935472 /nfs/dbraw/zinc/93/54/72/648935472.db2.gz NITSOPGEGUJWNJ-AWEZNQCLSA-N 0 3 303.385 2.005 20 10 DECDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CC[C@H](C)S(=O)(=O)C2)c1[O-] ZINC000827173285 648986761 /nfs/dbraw/zinc/98/67/61/648986761.db2.gz WEYVXRKNDQUYBM-GWCFXTLKSA-N 0 3 317.838 2.409 20 10 DECDHN CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000834668388 649828339 /nfs/dbraw/zinc/82/83/39/649828339.db2.gz LHIQLXHZGSBDJG-MGPQQGTHSA-N 0 3 309.431 2.325 20 10 DECDHN COc1ccc(N(C)CCN(C)C(=O)C2(N(C)C)CCC2)cc1 ZINC000846442311 651330857 /nfs/dbraw/zinc/33/08/57/651330857.db2.gz MWJFWBKFKGARGU-UHFFFAOYSA-N 0 3 319.449 2.074 20 10 DECDHN COC(=O)c1cc(CNCc2cccc(OC)c2O)c(C)o1 ZINC000848910825 651556372 /nfs/dbraw/zinc/55/63/72/651556372.db2.gz NJZBXAXSBWWMDG-UHFFFAOYSA-N 0 3 305.330 2.379 20 10 DECDHN O=[N+]([O-])c1cc(CNC/C=C\CO)ccc1N1CCCCC1 ZINC000850357327 651910170 /nfs/dbraw/zinc/91/01/70/651910170.db2.gz FUFCFQUATQRATQ-DJWKRKHSSA-N 0 3 305.378 2.223 20 10 DECDHN C[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccccc1[O-] ZINC000850520564 651944862 /nfs/dbraw/zinc/94/48/62/651944862.db2.gz VSRBBWNXUGXERZ-SECBINFHSA-N 0 3 311.325 2.020 20 10 DECDHN Cc1cccn2c(=O)cc(CN(C)Cc3ccccc3O)nc12 ZINC000109769473 652071525 /nfs/dbraw/zinc/07/15/25/652071525.db2.gz TZIWMLUPEGDVRD-UHFFFAOYSA-N 0 3 309.369 2.341 20 10 DECDHN [NH3+][C@@]12CCC[C@H]1CN(Cc1cc(Br)ccc1[O-])C2 ZINC000857226746 652083747 /nfs/dbraw/zinc/08/37/47/652083747.db2.gz YMMNPZPCQAAWCU-SMDDNHRTSA-N 0 3 311.223 2.468 20 10 DECDHN COc1ccc(N2CCC(N3CCc4n[nH]cc4C3)CC2)cc1 ZINC000857877858 652194319 /nfs/dbraw/zinc/19/43/19/652194319.db2.gz JGLKCRAJOYQDTD-UHFFFAOYSA-N 0 3 312.417 2.445 20 10 DECDHN CO[C@H](CNCc1cc(F)c(N(C)C)cc1F)[C@@H]1CCOC1 ZINC000858186966 652274883 /nfs/dbraw/zinc/27/48/83/652274883.db2.gz GPCSUGODIZJDLF-BDJLRTHQSA-N 0 3 314.376 2.172 20 10 DECDHN COc1cccc(O)c1CNC[C@@H](n1cccn1)C(F)(F)F ZINC000858209836 652279513 /nfs/dbraw/zinc/27/95/13/652279513.db2.gz WCPVLUIJQOGCFT-CYBMUJFWSA-N 0 3 315.295 2.491 20 10 DECDHN CN1CCOC[C@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000858276708 652295261 /nfs/dbraw/zinc/29/52/61/652295261.db2.gz VTPWNQGYAHRFSA-GOSISDBHSA-N 0 3 312.413 2.479 20 10 DECDHN CCN1CCN([C@@H](C)C[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000113321839 684061689 /nfs/dbraw/zinc/06/16/89/684061689.db2.gz JVWBXGLSJAYCLO-ZDUSSCGKSA-N 0 3 311.857 2.161 20 10 DECDHN CCN(CC)c1ccc(CNC[C@@H]2CCCS2(=O)=O)cc1 ZINC000126668653 684156618 /nfs/dbraw/zinc/15/66/18/684156618.db2.gz NECNFCASKOXIFD-INIZCTEOSA-N 0 3 310.463 2.200 20 10 DECDHN CCCN(CC(=O)NCC(F)(F)F)Cc1ccccc1O ZINC000130718030 684192086 /nfs/dbraw/zinc/19/20/86/684192086.db2.gz LXWOSMYGKBHWNF-UHFFFAOYSA-N 0 3 304.312 2.283 20 10 DECDHN CCCN(CC(=O)NC(=O)NCC(C)C)Cc1ccccc1O ZINC000130720463 684192223 /nfs/dbraw/zinc/19/22/23/684192223.db2.gz XEDZAUKRYOZPIP-UHFFFAOYSA-N 0 3 321.421 2.086 20 10 DECDHN CN(C)c1ccc(/C=C\CN(C)[C@@H]2CCC(=O)N(C)C2)cc1 ZINC000862428440 686300323 /nfs/dbraw/zinc/30/03/23/686300323.db2.gz QIFZNLHKTRUULL-KEGWNNHHSA-N 0 3 301.434 2.318 20 10 DECDHN O[C@@H]1COC[C@@H]1NCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000865666671 687295162 /nfs/dbraw/zinc/29/51/62/687295162.db2.gz RRJFIJKWUHQKDG-AZUAARDMSA-N 0 3 324.424 2.099 20 10 DECDHN Cc1ccc(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)c([O-])c1O ZINC000870256297 688524383 /nfs/dbraw/zinc/52/43/83/688524383.db2.gz FIKUPJOZNUUSDL-UHFFFAOYSA-N 0 3 318.417 2.497 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H]3CSC[C@H]3C1)[C@H](O)CO2 ZINC000872721483 689074378 /nfs/dbraw/zinc/07/43/78/689074378.db2.gz JDPJRALDKJUNJM-IXPVHAAZSA-N 0 3 307.415 2.003 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H]3CSC[C@H]3C1)[C@H](O)CO2 ZINC000872721483 689074381 /nfs/dbraw/zinc/07/43/81/689074381.db2.gz JDPJRALDKJUNJM-IXPVHAAZSA-N 0 3 307.415 2.003 20 10 DECDHN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](N)CCC(C)C)C2)cc1 ZINC000876959776 689983329 /nfs/dbraw/zinc/98/33/29/689983329.db2.gz OZBLLFJNRQCBGI-PBHICJAKSA-N 0 3 319.449 2.154 20 10 DECDHN Cc1ccc(C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)c([O-])c1 ZINC000877031305 690002333 /nfs/dbraw/zinc/00/23/33/690002333.db2.gz POLPJDCEUKQLJA-KRWDZBQOSA-N 0 3 304.434 2.434 20 10 DECDHN Cc1ccc(CNCc2cccc(N3CCOCC3)n2)c(O)c1 ZINC000877421454 690107435 /nfs/dbraw/zinc/10/74/35/690107435.db2.gz JNTYFRSYIHZZRU-UHFFFAOYSA-N 0 3 313.401 2.222 20 10 DECDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)cc2[O-])[C@]12CCCO2 ZINC000877493292 690130422 /nfs/dbraw/zinc/13/04/22/690130422.db2.gz JWBGHXABMMMPIG-BRWVUGGUSA-N 0 3 307.390 2.217 20 10 DECDHN COCCc1ncc(CNCc2cccc(OC)c2O)s1 ZINC000877527021 690141747 /nfs/dbraw/zinc/14/17/47/690141747.db2.gz XEPJZYZNRFUXJG-UHFFFAOYSA-N 0 3 308.403 2.336 20 10 DECDHN CCOC(=O)c1ccc(CNCc2cccc(OC)c2O)[nH]1 ZINC000877526943 690141753 /nfs/dbraw/zinc/14/17/53/690141753.db2.gz WLFSQZRVZKWRGT-UHFFFAOYSA-N 0 3 304.346 2.195 20 10 DECDHN COc1ccc(N2CCN(CCC[C@H]3CCO3)CC2)c(OC)c1 ZINC000877708433 690198596 /nfs/dbraw/zinc/19/85/96/690198596.db2.gz LUWLUMGKSDSTCG-HNNXBMFYSA-N 0 3 320.433 2.395 20 10 DECDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)C[C@H](O)c1ccccc1 ZINC000878241914 690355795 /nfs/dbraw/zinc/35/57/95/690355795.db2.gz KGNDOSFUQBIHSS-AEFFLSMTSA-N 0 3 301.386 2.309 20 10 DECDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)C[C@H](O)c1ccccc1 ZINC000878241914 690355798 /nfs/dbraw/zinc/35/57/98/690355798.db2.gz KGNDOSFUQBIHSS-AEFFLSMTSA-N 0 3 301.386 2.309 20 10 DECDHN C[C@@H](NCc1ccncc1N)c1ccc(N2CCOCC2)cc1 ZINC000882924019 691387872 /nfs/dbraw/zinc/38/78/72/691387872.db2.gz SXRZVIBEVPCQII-CQSZACIVSA-N 0 3 312.417 2.351 20 10 DECDHN CCOc1ccc(C[NH2+]C[C@@H](CO)Cc2ccoc2)c([O-])c1 ZINC000883269461 691469156 /nfs/dbraw/zinc/46/91/56/691469156.db2.gz LCRCMZNDRIDILB-AWEZNQCLSA-N 0 3 305.374 2.325 20 10 DECDHN CC(C)CONC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001334218167 1150234597 /nfs/dbraw/zinc/23/45/97/1150234597.db2.gz SHNQDQWDNSJKNH-INIZCTEOSA-N 0 3 322.453 2.242 20 10 DECDHN Nc1ccc(C[NH+]2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC001334773990 1150340888 /nfs/dbraw/zinc/34/08/88/1150340888.db2.gz BXRZWHFHOPTTPT-UHFFFAOYSA-N 0 3 315.339 2.159 20 10 DECDHN Cc1cc(N(C)S(=O)(=O)Cc2ccc(N)cc2)cc(C)n1 ZINC001176052671 794349397 /nfs/dbraw/zinc/34/93/97/794349397.db2.gz SUCYKXBOAPJZHK-UHFFFAOYSA-N 0 3 305.403 2.247 20 10 DECDHN C[N@@H+]1CCC[C@@H](N2CCN(Cc3ccc(Cl)cc3[O-])CC2)C1 ZINC001180262569 795267961 /nfs/dbraw/zinc/26/79/61/795267961.db2.gz ZLSHVAYXMQFTPH-MRXNPFEDSA-N 0 3 323.868 2.257 20 10 DECDHN C[N@H+]1CCC[C@@H](N2CCN(Cc3ccc(Cl)cc3[O-])CC2)C1 ZINC001180262569 795267964 /nfs/dbraw/zinc/26/79/64/795267964.db2.gz ZLSHVAYXMQFTPH-MRXNPFEDSA-N 0 3 323.868 2.257 20 10 DECDHN Cc1cc(Br)cc(C[NH2+][C@H](C)C[S@](C)=O)c1[O-] ZINC001180305648 795270592 /nfs/dbraw/zinc/27/05/92/795270592.db2.gz NGLPHKXOCKUBAP-XLFHBGCDSA-N 0 3 320.252 2.320 20 10 DECDHN COc1cc(C)c(C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)c([O-])c1 ZINC001182872131 795771320 /nfs/dbraw/zinc/77/13/20/795771320.db2.gz BEGMGKKYBXNXEJ-YLGBZRSBSA-N 0 3 311.447 2.489 20 10 DECDHN COC(=O)[C@@H]1CN(Cc2c(C)n(C)c3ccccc32)CCCO1 ZINC001138259912 796189210 /nfs/dbraw/zinc/18/92/10/796189210.db2.gz QXVPHMWFACPUAH-KRWDZBQOSA-N 0 3 316.401 2.251 20 10 DECDHN CCN(CC)c1ccc(CN2CCN3CC[C@@H]3C2)c(OC)c1 ZINC001138391981 796211891 /nfs/dbraw/zinc/21/18/91/796211891.db2.gz LWVBRZJIMYCGMJ-QGZVFWFLSA-N 0 3 303.450 2.431 20 10 DECDHN CCN(CC)c1ccc(CN2CCN3CC[C@H]3C2)c(OC)c1 ZINC001138391980 796211947 /nfs/dbraw/zinc/21/19/47/796211947.db2.gz LWVBRZJIMYCGMJ-KRWDZBQOSA-N 0 3 303.450 2.431 20 10 DECDHN CCN1CC[C@]2(CCC[N@H+](Cc3ccc(OC)cc3[O-])C2)C1=O ZINC001203629413 796331210 /nfs/dbraw/zinc/33/12/10/796331210.db2.gz JAOSTQNHAUZPLC-SFHVURJKSA-N 0 3 318.417 2.235 20 10 DECDHN CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(OC)cc3[O-])C2)C1=O ZINC001203629413 796331214 /nfs/dbraw/zinc/33/12/14/796331214.db2.gz JAOSTQNHAUZPLC-SFHVURJKSA-N 0 3 318.417 2.235 20 10 DECDHN Cc1ccc(O)c(CN2CCN(c3ccc(Cl)nn3)CC2)c1 ZINC001140622929 796546909 /nfs/dbraw/zinc/54/69/09/796546909.db2.gz FLITWSQUKHLHLV-UHFFFAOYSA-N 0 3 318.808 2.466 20 10 DECDHN O[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140660433 796552077 /nfs/dbraw/zinc/55/20/77/796552077.db2.gz RMOQPYJZMFCALL-INIZCTEOSA-N 0 3 308.397 2.009 20 10 DECDHN Cc1c(O)ccc(CN(C)CCNC(=O)OC(C)(C)C)c1O ZINC001140742752 796566062 /nfs/dbraw/zinc/56/60/62/796566062.db2.gz XREQWQWZMHLLIK-UHFFFAOYSA-N 0 3 310.394 2.363 20 10 DECDHN Cc1c(O)ccc(CN2CCCC[C@H]2C(=O)N2CCCC2)c1O ZINC001140746023 796566922 /nfs/dbraw/zinc/56/69/22/796566922.db2.gz SOKFSQNLKHEMHE-HNNXBMFYSA-N 0 3 318.417 2.383 20 10 DECDHN Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)c([O-])c1 ZINC001140949712 796605150 /nfs/dbraw/zinc/60/51/50/796605150.db2.gz HAJBTLNOHZTHEY-PHZGNYQRSA-N 0 3 314.429 2.437 20 10 DECDHN Cc1ccc(C[N@H+]2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)c([O-])c1 ZINC001140949712 796605153 /nfs/dbraw/zinc/60/51/53/796605153.db2.gz HAJBTLNOHZTHEY-PHZGNYQRSA-N 0 3 314.429 2.437 20 10 DECDHN Cc1ccc(C[N@@H+]2CC[C@]3(CCN3c3ncccn3)C2)c([O-])c1 ZINC001140952306 796606409 /nfs/dbraw/zinc/60/64/09/796606409.db2.gz MGVQNFUBKNOZMW-SFHVURJKSA-N 0 3 310.401 2.345 20 10 DECDHN Cc1ccc(C[N@H+]2CC[C@]3(CCN3c3ncccn3)C2)c([O-])c1 ZINC001140952306 796606412 /nfs/dbraw/zinc/60/64/12/796606412.db2.gz MGVQNFUBKNOZMW-SFHVURJKSA-N 0 3 310.401 2.345 20 10 DECDHN COc1cc([O-])c(C[NH+]2CCC3(C[C@H]3CCO)CC2)c(OC)c1 ZINC001141026386 796620225 /nfs/dbraw/zinc/62/02/25/796620225.db2.gz OONFDLBGNYZOTL-CYBMUJFWSA-N 0 3 321.417 2.394 20 10 DECDHN COC(=O)[C@H]1CCC[N@H+](Cc2c([O-])cc(OC)cc2OC)CC1 ZINC001141032696 796622673 /nfs/dbraw/zinc/62/26/73/796622673.db2.gz MXQAVBKHAIOFMB-LBPRGKRZSA-N 0 3 323.389 2.185 20 10 DECDHN COC(=O)[C@H]1CCC[N@@H+](Cc2c([O-])cc(OC)cc2OC)CC1 ZINC001141032696 796622674 /nfs/dbraw/zinc/62/26/74/796622674.db2.gz MXQAVBKHAIOFMB-LBPRGKRZSA-N 0 3 323.389 2.185 20 10 DECDHN COC(=O)[C@H]1CCCN(Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141032696 796622676 /nfs/dbraw/zinc/62/26/76/796622676.db2.gz MXQAVBKHAIOFMB-LBPRGKRZSA-N 0 3 323.389 2.185 20 10 DECDHN Oc1ccc(O)c(CN2CCC(Oc3ncc(F)cn3)CC2)c1 ZINC001141163216 796643909 /nfs/dbraw/zinc/64/39/09/796643909.db2.gz VYBLMWFNGYENQG-UHFFFAOYSA-N 0 3 319.336 2.070 20 10 DECDHN COc1ccc(O[C@H]2CCN(Cc3cc(O)ccc3O)C2)nc1 ZINC001141163313 796643959 /nfs/dbraw/zinc/64/39/59/796643959.db2.gz ZMBKYPMOENBTCJ-HNNXBMFYSA-N 0 3 316.357 2.155 20 10 DECDHN CCNC(=O)OC1CC[NH+](Cc2ccc(OC)cc2[O-])CC1 ZINC001203634358 800095752 /nfs/dbraw/zinc/09/57/52/800095752.db2.gz AXVSUNCVUAEXLY-UHFFFAOYSA-N 0 3 308.378 2.111 20 10 DECDHN COc1ccc(O)c(CN2CC[C@@H](Oc3nccnc3C)C2)c1 ZINC001203680916 800104853 /nfs/dbraw/zinc/10/48/53/800104853.db2.gz JNIXPYXTRPUCSD-OAHLLOKOSA-N 0 3 315.373 2.153 20 10 DECDHN COc1ccc(O)c(CN2CCC(Oc3ncccn3)CC2)c1 ZINC001203678644 800105533 /nfs/dbraw/zinc/10/55/33/800105533.db2.gz POCVVHQAPAJOBZ-UHFFFAOYSA-N 0 3 315.373 2.234 20 10 DECDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001204275016 800198107 /nfs/dbraw/zinc/19/81/07/800198107.db2.gz LNECEYQNGHBWJA-SJLPKXTDSA-N 0 3 319.401 2.258 20 10 DECDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001204275016 800198109 /nfs/dbraw/zinc/19/81/09/800198109.db2.gz LNECEYQNGHBWJA-SJLPKXTDSA-N 0 3 319.401 2.258 20 10 DECDHN CC(=O)N(C)[C@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204328629 800205605 /nfs/dbraw/zinc/20/56/05/800205605.db2.gz KZIGRNQWWPUODB-SFHVURJKSA-N 0 3 301.434 2.339 20 10 DECDHN Cc1cc(C)c(CN2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)c(O)c1 ZINC001231845957 801736045 /nfs/dbraw/zinc/73/60/45/801736045.db2.gz WOCNMHRIOCWKLV-CALCHBBNSA-N 0 3 316.445 2.304 20 10 DECDHN CN(Cc1ccc(N2CCOCC2)c(Cl)c1)[C@H]1CCOC1 ZINC001232202983 801816217 /nfs/dbraw/zinc/81/62/17/801816217.db2.gz KTXNCSOXLCLJOZ-AWEZNQCLSA-N 0 3 310.825 2.397 20 10 DECDHN COC(=O)c1c(CN2CCCC[C@@H](O)C2)c2ccccc2n1C ZINC001232402374 801871098 /nfs/dbraw/zinc/87/10/98/801871098.db2.gz MGULZYQKDAFNBU-CYBMUJFWSA-N 0 3 316.401 2.312 20 10 DECDHN O=S1(=O)CCC[C@@H](NCc2ccc(N3CCCCC3)cc2)C1 ZINC000315683077 802479693 /nfs/dbraw/zinc/47/96/93/802479693.db2.gz MDRYRBQOWABNCS-MRXNPFEDSA-N 0 3 322.474 2.344 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](c3nccs3)C1)[C@H](O)CO2 ZINC001331047562 1149368810 /nfs/dbraw/zinc/36/88/10/1149368810.db2.gz YBIJTSRUTQIBEM-IINYFYTJSA-N 0 3 318.398 2.264 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](c3nccs3)C1)[C@H](O)CO2 ZINC001331047562 1149368819 /nfs/dbraw/zinc/36/88/19/1149368819.db2.gz YBIJTSRUTQIBEM-IINYFYTJSA-N 0 3 318.398 2.264 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CC(=O)N(CC3CC3)C2)c1[O-] ZINC001331579010 1149541600 /nfs/dbraw/zinc/54/16/00/1149541600.db2.gz FXLATGXYMYSKSD-CYBMUJFWSA-N 0 3 324.808 2.155 20 10 DECDHN CC[C@@H](F)CNCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001493809497 1063970697 /nfs/dbraw/zinc/97/06/97/1063970697.db2.gz IZDSMGXVTQGMDZ-GFCCVEGCSA-N 0 3 323.372 2.259 20 10 DECDHN COc1cc(C)c(CN2CCO[C@]3(CCO[C@@H]3C)C2)c(O)c1 ZINC001621306699 1078172166 /nfs/dbraw/zinc/17/21/66/1078172166.db2.gz SMOPDGMURCCECW-CXAGYDPISA-N 0 3 307.390 2.089 20 10 DECDHN CSCC[C@@H](N)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001579375293 1067318643 /nfs/dbraw/zinc/31/86/43/1067318643.db2.gz MEJBEFNFKWGNKZ-MRXNPFEDSA-N 0 3 321.490 2.326 20 10 DECDHN O=C1N(CC(F)F)CC[C@@]12CCCN2Cc1ccccc1O ZINC001272618363 1079015053 /nfs/dbraw/zinc/01/50/53/1079015053.db2.gz GNCSKUAXYJVYCT-INIZCTEOSA-N 0 3 310.344 2.224 20 10 DECDHN C[C@@H]([NH2+]CCn1cnc2ccccc2c1=O)c1ccccc1[O-] ZINC001659815226 1080252702 /nfs/dbraw/zinc/25/27/02/1080252702.db2.gz CGYDXUSYFFCAER-CYBMUJFWSA-N 0 3 309.369 2.453 20 10 DECDHN CCN1CCN(c2ccc(O[C@H](C)CC(=O)OC)cc2)CC1 ZINC001234658214 1084190447 /nfs/dbraw/zinc/19/04/47/1084190447.db2.gz XQNBGMRWRLQTGJ-CQSZACIVSA-N 0 3 306.406 2.159 20 10 DECDHN CCN1CCN(c2ccc(O[C@@H]3C=C(C)OC(=O)C3)cc2)CC1 ZINC001234658266 1084190765 /nfs/dbraw/zinc/19/07/65/1084190765.db2.gz YWOZEGYWGQFYIG-QGZVFWFLSA-N 0 3 316.401 2.427 20 10 DECDHN CCc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)C)c([O-])c1 ZINC001236786617 1138427068 /nfs/dbraw/zinc/42/70/68/1138427068.db2.gz FPJUCBJYKUMZFL-QLPKVWCKSA-N 0 3 302.418 2.157 20 10 DECDHN CCc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)C)c([O-])c1 ZINC001236786617 1138427073 /nfs/dbraw/zinc/42/70/73/1138427073.db2.gz FPJUCBJYKUMZFL-QLPKVWCKSA-N 0 3 302.418 2.157 20 10 DECDHN CCNC(=O)COC1CC[NH+](Cc2ccc(CC)cc2[O-])CC1 ZINC001236789254 1138428877 /nfs/dbraw/zinc/42/88/77/1138428877.db2.gz UKSTZOHQUHCYEX-UHFFFAOYSA-N 0 3 320.433 2.072 20 10 DECDHN COc1cc(C)c(C[NH+]2CCC3(CCCNC3=O)CC2)c([O-])c1 ZINC001236811315 1138436657 /nfs/dbraw/zinc/43/66/57/1138436657.db2.gz OMICDALRPCVNGD-UHFFFAOYSA-N 0 3 318.417 2.201 20 10 DECDHN CN(C)C(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC001278255720 1138861156 /nfs/dbraw/zinc/86/11/56/1138861156.db2.gz XCFVLIQAQCJXKL-LZJQFABFSA-N 0 3 306.381 2.124 20 10 DECDHN COC(=O)Cc1ccc(C[N@H+](C)Cc2cccc(O)c2)c([O-])c1 ZINC001249173040 1141856497 /nfs/dbraw/zinc/85/64/97/1141856497.db2.gz QDBYREHJQVOXES-UHFFFAOYSA-N 0 3 315.369 2.445 20 10 DECDHN COC(=O)Cc1ccc(C[N@@H+](C)Cc2cccc(O)c2)c([O-])c1 ZINC001249173040 1141856498 /nfs/dbraw/zinc/85/64/98/1141856498.db2.gz QDBYREHJQVOXES-UHFFFAOYSA-N 0 3 315.369 2.445 20 10 DECDHN COC(=O)Cc1ccc(CN2CC3(C2)CC(F)(F)C3)c(O)c1 ZINC001249174189 1141856719 /nfs/dbraw/zinc/85/67/19/1141856719.db2.gz ZYROVZDMXOLLHT-UHFFFAOYSA-N 0 3 311.328 2.339 20 10 DECDHN COC(=O)N1CC(C)(NCc2ccc(N3CCCC3)cc2)C1 ZINC001338261517 1142842393 /nfs/dbraw/zinc/84/23/93/1142842393.db2.gz BSBPRBHHYYHMEQ-UHFFFAOYSA-N 0 3 303.406 2.217 20 10 DECDHN COc1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC001253979385 1143017364 /nfs/dbraw/zinc/01/73/64/1143017364.db2.gz KZQYBJBHXAVQDW-UONOGXRCSA-N 0 3 317.385 2.491 20 10 DECDHN C[C@H](CS(=O)(=O)c1ccccc1)NCc1ccc(O)cc1O ZINC001255802671 1143807203 /nfs/dbraw/zinc/80/72/03/1143807203.db2.gz LHZTXNNUNVFQOA-GFCCVEGCSA-N 0 3 321.398 2.050 20 10 DECDHN [O-]c1cccc2c1C[N@@H+](C1CCN(c3ncccn3)CC1)CC2 ZINC001256064182 1143826483 /nfs/dbraw/zinc/82/64/83/1143826483.db2.gz HMPWHYWSCPPSNC-UHFFFAOYSA-N 0 3 310.401 2.209 20 10 DECDHN [O-]c1cccc2c1C[N@H+](C1CCN(c3ncccn3)CC1)CC2 ZINC001256064182 1143826484 /nfs/dbraw/zinc/82/64/84/1143826484.db2.gz HMPWHYWSCPPSNC-UHFFFAOYSA-N 0 3 310.401 2.209 20 10 DECDHN COc1ccc(CNCc2ccc(N3CCN(C)CC3)cc2)o1 ZINC001262374652 1144310339 /nfs/dbraw/zinc/31/03/39/1144310339.db2.gz LTIRPNSTFQIFDN-UHFFFAOYSA-N 0 3 315.417 2.330 20 10 DECDHN CN(Cc1ccccc1O)C(=O)c1cc2c(s1)CNCC2 ZINC001263074907 1144353988 /nfs/dbraw/zinc/35/39/88/1144353988.db2.gz YRAZDWLIZNSOJX-UHFFFAOYSA-N 0 3 302.399 2.372 20 10 DECDHN CN(C)c1ccc(CN(CCNC(=O)C2CC2)C2CC2)cc1 ZINC001307424129 1147426446 /nfs/dbraw/zinc/42/64/46/1147426446.db2.gz NLIFHGKXZLCJQL-UHFFFAOYSA-N 0 3 301.434 2.243 20 10 DECDHN CN(C)c1ccc(CN[C@@H]2CC(=O)N(C)C2)c(C(F)(F)F)c1 ZINC000280858236 539815376 /nfs/dbraw/zinc/81/53/76/539815376.db2.gz LVTUYLJMBMRQAS-LLVKDONJSA-N 0 3 315.339 2.092 20 10 DECDHN C[C@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1ccccc1[O-] ZINC000285718549 299314074 /nfs/dbraw/zinc/31/40/74/299314074.db2.gz QAKIEZGDCDRDDV-FZMZJTMJSA-N 0 3 318.339 2.306 20 10 DECDHN CCOc1ccc([O-])c(C[NH2+]C[C@H](O)Cc2ccccc2)c1 ZINC000105492929 194106471 /nfs/dbraw/zinc/10/64/71/194106471.db2.gz AQUWACBJYNYVSC-MRXNPFEDSA-N 0 3 301.386 2.484 20 10 DECDHN COCC[C@H](CO)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000281197341 285166761 /nfs/dbraw/zinc/16/67/61/285166761.db2.gz IVDZKEDODIOLFL-GFCCVEGCSA-N 0 3 320.355 2.258 20 10 DECDHN CCCN(CC(=O)Nc1cc(C)nn1C)Cc1ccccc1O ZINC000114717515 401807533 /nfs/dbraw/zinc/80/75/33/401807533.db2.gz MCVSSIUJHXGYKW-UHFFFAOYSA-N 0 3 316.405 2.285 20 10 DECDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000085354919 401914606 /nfs/dbraw/zinc/91/46/06/401914606.db2.gz BCPSZTRGVVEBDH-PBHICJAKSA-N 0 3 318.465 2.234 20 10 DECDHN Cc1ccc(C(=O)NCCNCc2ccc3c(c2)CCO3)cc1 ZINC000052041726 402039145 /nfs/dbraw/zinc/03/91/45/402039145.db2.gz QHDWPUFTPPXBEP-UHFFFAOYSA-N 0 3 310.397 2.450 20 10 DECDHN CN(C)c1ccc(C[NH2+]Cc2cc3c(cc2[O-])OCO3)cc1 ZINC000063255929 402112213 /nfs/dbraw/zinc/11/22/13/402112213.db2.gz ZAFFIQDDLGRLTA-UHFFFAOYSA-N 0 3 300.358 2.477 20 10 DECDHN CCN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)CC1CC1 ZINC000070013106 402254700 /nfs/dbraw/zinc/25/47/00/402254700.db2.gz PVSNINCCKBEIKO-UHFFFAOYSA-N 0 3 303.450 2.443 20 10 DECDHN CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000185345099 402345770 /nfs/dbraw/zinc/34/57/70/402345770.db2.gz BWASJZQMCQFWHE-CABCVRRESA-N 0 3 323.456 2.456 20 10 DECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)[C@@H](C)N2CCOCC2)c1 ZINC000185375898 402348431 /nfs/dbraw/zinc/34/84/31/402348431.db2.gz WZSJOYQJPVCBEL-MELADBBJSA-N 0 3 308.422 2.161 20 10 DECDHN Cc1cc([O-])c(C[NH2+][C@@H](C)CCN2CCN(C)CC2)cc1C ZINC000185863818 402384254 /nfs/dbraw/zinc/38/42/54/402384254.db2.gz RSQALONCXWRZKJ-INIZCTEOSA-N 0 3 305.466 2.125 20 10 DECDHN CCN1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000159779745 402330775 /nfs/dbraw/zinc/33/07/75/402330775.db2.gz TVORNSSVXGZOLE-UHFFFAOYSA-N 0 3 322.428 2.129 20 10 DECDHN C[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1cc(F)ccc1[O-] ZINC000186090269 402400273 /nfs/dbraw/zinc/40/02/73/402400273.db2.gz QWUPNGHJKGIOLD-JTQLQIEISA-N 0 3 301.383 2.007 20 10 DECDHN COc1ccc(N2CCCN(C(=O)[C@@H](N)CC(C)C)CC2)cc1 ZINC000165749648 402478225 /nfs/dbraw/zinc/47/82/25/402478225.db2.gz QCSLHFQYVJXNNT-KRWDZBQOSA-N 0 3 319.449 2.107 20 10 DECDHN O=C(c1cccc(O)c1[O-])N1CCC[N@@H+](C2CCCC2)CC1 ZINC000193082242 402764092 /nfs/dbraw/zinc/76/40/92/402764092.db2.gz CIPUETIRMIYWGN-UHFFFAOYSA-N 0 3 304.390 2.188 20 10 DECDHN O=C(c1cccc(O)c1[O-])N1CCC[N@H+](C2CCCC2)CC1 ZINC000193082242 402764094 /nfs/dbraw/zinc/76/40/94/402764094.db2.gz CIPUETIRMIYWGN-UHFFFAOYSA-N 0 3 304.390 2.188 20 10 DECDHN Cc1cc(O)c(CN2CCN(c3ccnc(C)n3)CC2)cc1C ZINC000184103902 402818506 /nfs/dbraw/zinc/81/85/06/402818506.db2.gz KZZSZHALPRZBGV-UHFFFAOYSA-N 0 3 312.417 2.430 20 10 DECDHN C[C@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1ccccc1[O-] ZINC000278183057 402862000 /nfs/dbraw/zinc/86/20/00/402862000.db2.gz BPFBOIPOEQPBFY-UONOGXRCSA-N 0 3 300.406 2.445 20 10 DECDHN CC[NH+](CC)CCCNCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278478713 402867164 /nfs/dbraw/zinc/86/71/64/402867164.db2.gz IZLAJFIOJPVEIP-UHFFFAOYSA-N 0 3 311.382 2.131 20 10 DECDHN CCN(CC)CCC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278478713 402867166 /nfs/dbraw/zinc/86/71/66/402867166.db2.gz IZLAJFIOJPVEIP-UHFFFAOYSA-N 0 3 311.382 2.131 20 10 DECDHN COC(=O)[C@H]1CC12CC[NH+](Cc1cc(OC)ccc1[O-])CC2 ZINC000271890148 402885225 /nfs/dbraw/zinc/88/52/25/402885225.db2.gz WZFHRWRCMNPBTH-CQSZACIVSA-N 0 3 305.374 2.176 20 10 DECDHN CN(C)c1ccc(CNC(=O)NCC2(N(C)C)CCC2)cc1 ZINC000275523548 403103007 /nfs/dbraw/zinc/10/30/07/403103007.db2.gz VSJOLMJFQGLYPX-UHFFFAOYSA-N 0 3 304.438 2.036 20 10 DECDHN CCOc1ccc([O-])c(C[NH2+]CCCN2CCCO[C@H](C)C2)c1 ZINC000278039801 403281718 /nfs/dbraw/zinc/28/17/18/403281718.db2.gz XLNPQTRXQNGMEO-OAHLLOKOSA-N 0 3 322.449 2.381 20 10 DECDHN CCCOc1ccc(CN2CC[C@@H](OC(=O)N(C)C)C2)c(O)c1 ZINC000295180995 403786324 /nfs/dbraw/zinc/78/63/24/403786324.db2.gz VTDSWXQECCQOBJ-OAHLLOKOSA-N 0 3 322.405 2.454 20 10 DECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c1 ZINC000363870436 404232043 /nfs/dbraw/zinc/23/20/43/404232043.db2.gz VKXAVYVRBSWONX-QWHCGFSZSA-N 0 3 316.405 2.064 20 10 DECDHN Cn1nccc1[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000367472928 405061093 /nfs/dbraw/zinc/06/10/93/405061093.db2.gz YYYIBIMDOOFSFX-GFCCVEGCSA-N 0 3 315.373 2.234 20 10 DECDHN Cn1nccc1[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000367472928 405061099 /nfs/dbraw/zinc/06/10/99/405061099.db2.gz YYYIBIMDOOFSFX-GFCCVEGCSA-N 0 3 315.373 2.234 20 10 DECDHN C[C@@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1cc(F)ccc1[O-] ZINC000371917460 227080776 /nfs/dbraw/zinc/08/07/76/227080776.db2.gz GBXJNBZTFDMCDJ-ABAIWWIYSA-N 0 3 319.380 2.448 20 10 DECDHN O=C(NC1CC[NH+](Cc2cc(F)ccc2[O-])CC1)C1CCC1 ZINC000378492355 227217740 /nfs/dbraw/zinc/21/77/40/227217740.db2.gz GXBVDNNWOQBMDQ-UHFFFAOYSA-N 0 3 306.381 2.412 20 10 DECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000378494994 275060982 /nfs/dbraw/zinc/06/09/82/275060982.db2.gz LZTRIVJFKKMDTB-UHFFFAOYSA-N 0 3 302.353 2.034 20 10 DECDHN [O-]c1ccc(F)cc1C[N@H+]1CCCN(c2ncccn2)CC1 ZINC000378494994 275060984 /nfs/dbraw/zinc/06/09/84/275060984.db2.gz LZTRIVJFKKMDTB-UHFFFAOYSA-N 0 3 302.353 2.034 20 10 DECDHN C[C@@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185391862 333207953 /nfs/dbraw/zinc/20/79/53/333207953.db2.gz XSRBGIJAIMQYCE-STQMWFEESA-N 0 3 311.857 2.332 20 10 DECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC2(N(C)C)CCOCC2)c1 ZINC000185449810 333208928 /nfs/dbraw/zinc/20/89/28/333208928.db2.gz RGALLLJJNNDLHB-CYBMUJFWSA-N 0 3 308.422 2.162 20 10 DECDHN COCCO[C@@H]1CCN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000188813533 524032618 /nfs/dbraw/zinc/03/26/18/524032618.db2.gz GGEYKQZVLRDQKG-CYBMUJFWSA-N 0 3 315.797 2.292 20 10 DECDHN CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000368036244 526910095 /nfs/dbraw/zinc/91/00/95/526910095.db2.gz QYHIIZBUXRBWAF-CQSZACIVSA-N 0 3 314.389 2.453 20 10 DECDHN CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000368036244 526910100 /nfs/dbraw/zinc/91/01/00/526910100.db2.gz QYHIIZBUXRBWAF-CQSZACIVSA-N 0 3 314.389 2.453 20 10 DECDHN CCN(C)C(=O)[C@@H](C)NCc1cc(Cl)cc(OC)c1O ZINC000188486489 527754396 /nfs/dbraw/zinc/75/43/96/527754396.db2.gz MIKAPQHQWGBIDU-SECBINFHSA-N 0 3 300.786 2.011 20 10 DECDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC)c2[O-])[C@]12CCCO2 ZINC000273641396 535413691 /nfs/dbraw/zinc/41/36/91/535413691.db2.gz USTRMKBBZQYVQA-BFYDXBDKSA-N 0 3 307.390 2.217 20 10 DECDHN CN(C)c1ccc(/C=C\CN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1 ZINC000835051157 649871814 /nfs/dbraw/zinc/87/18/14/649871814.db2.gz WUXGBONFXLTATQ-GFXHUTCISA-N 0 3 313.445 2.352 20 10 DECDHN CN(C)c1ccc(/C=C/CN2CC[C@H](N3CCCC3=O)C2)cc1 ZINC000835050643 649871996 /nfs/dbraw/zinc/87/19/96/649871996.db2.gz RAJFJXXLYZWDMT-YZTRRJNXSA-N 0 3 313.445 2.463 20 10 DECDHN CNC(=O)[C@H](CCSC)NC/C=C/c1ccc(N(C)C)cc1 ZINC000835056360 649872911 /nfs/dbraw/zinc/87/29/11/649872911.db2.gz UHDNAHRLIWBROP-JFDDCEBESA-N 0 3 321.490 2.223 20 10 DECDHN [O-]c1ccc(Br)cc1CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000311211904 625303367 /nfs/dbraw/zinc/30/33/67/625303367.db2.gz LMRJEHXCWSADQF-MFKMUULPSA-N 0 3 311.223 2.339 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CC2(F)F)N(C)C)cc1 ZINC000891249910 623794401 /nfs/dbraw/zinc/79/44/01/623794401.db2.gz UHYSMOZCDBOLTM-ZIAGYGMSSA-N 0 3 311.376 2.127 20 10 DECDHN Cc1c[nH]cc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251303 623797272 /nfs/dbraw/zinc/79/72/72/623797272.db2.gz BQQVTMJKRSIMPI-QGZVFWFLSA-N 0 3 314.433 2.422 20 10 DECDHN CCN(CC)c1ccc(CN2CCC(NC(=O)NC)CC2)cc1 ZINC000840974401 635980502 /nfs/dbraw/zinc/98/05/02/635980502.db2.gz JCAKXWBYNMBBBL-UHFFFAOYSA-N 0 3 318.465 2.426 20 10 DECDHN COc1cccc([O-])c1C[NH2+][C@H](CO)CCc1ccccc1 ZINC000922544444 636231257 /nfs/dbraw/zinc/23/12/57/636231257.db2.gz QGZYJVMGDVQOCQ-HNNXBMFYSA-N 0 3 301.386 2.484 20 10 DECDHN CCc1[nH]c(CNCc2cc(OC)ccc2O)cc1C(=O)OC ZINC000894259354 636591378 /nfs/dbraw/zinc/59/13/78/636591378.db2.gz DNTJGMGQMVUJFW-UHFFFAOYSA-N 0 3 318.373 2.368 20 10 DECDHN COC(=O)c1c(CN(C)CCCCO)c2cc(F)ccc2n1C ZINC000894537637 637095528 /nfs/dbraw/zinc/09/55/28/637095528.db2.gz GCAWDZCWJOPBLZ-UHFFFAOYSA-N 0 3 322.380 2.308 20 10 DECDHN O=[N+]([O-])c1cc(CNC[C@H]2COCO2)ccc1N1CCCCC1 ZINC000894870815 637277845 /nfs/dbraw/zinc/27/78/45/637277845.db2.gz MWQKLSUDTLNZSQ-AWEZNQCLSA-N 0 3 321.377 2.048 20 10 DECDHN C[C@@H]1[C@H](NCc2ccc(N3CCCCC3)cc2)CCS1(=O)=O ZINC000320605211 637581363 /nfs/dbraw/zinc/58/13/63/637581363.db2.gz ATXBZLHOCYRDOQ-RHSMWYFYSA-N 0 3 322.474 2.342 20 10 DECDHN CC[C@@H](NCCS(=O)(=O)C1CC1)c1ccc(N(C)C)cc1 ZINC000840881133 650371375 /nfs/dbraw/zinc/37/13/75/650371375.db2.gz XTAKTONGFBLJQQ-MRXNPFEDSA-N 0 3 310.463 2.371 20 10 DECDHN CCO/C=C/[C@](O)(C[NH2+]Cc1ccccc1[O-])C(F)(F)F ZINC000895707409 638154237 /nfs/dbraw/zinc/15/42/37/638154237.db2.gz LMWXKRACPHSBBZ-GWJCSSMESA-N 0 3 305.296 2.325 20 10 DECDHN CN(CCN1CCCC1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896157458 638383524 /nfs/dbraw/zinc/38/35/24/638383524.db2.gz YFQVMNUKOPXQKU-UHFFFAOYSA-N 0 3 320.414 2.480 20 10 DECDHN COc1ccc(CN2CC[C@@H](c3noc(C)n3)C2)c(O)c1OC ZINC000896231657 638426476 /nfs/dbraw/zinc/42/64/76/638426476.db2.gz SJCGGXGZHRMZJW-GFCCVEGCSA-N 0 3 319.361 2.090 20 10 DECDHN CC(C)(C)[C@H](C[NH3+])NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841086704 650427149 /nfs/dbraw/zinc/42/71/49/650427149.db2.gz DMWITYDKGQPCAQ-NSHDSACASA-N 0 3 301.774 2.417 20 10 DECDHN COc1cccc(O)c1CNCc1ccc([S@](C)=O)cc1 ZINC000751154524 639061720 /nfs/dbraw/zinc/06/17/20/639061720.db2.gz WYPORZGIPSFIDF-NRFANRHFSA-N 0 3 305.399 2.428 20 10 DECDHN CCNC(=O)C1(C[NH2+]Cc2ccc(OCC)cc2[O-])CCC1 ZINC000752930293 639236986 /nfs/dbraw/zinc/23/69/86/639236986.db2.gz GZHWPGIBZYUDHY-UHFFFAOYSA-N 0 3 306.406 2.187 20 10 DECDHN CCS(=O)(=O)CC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756537795 639670515 /nfs/dbraw/zinc/67/05/15/639670515.db2.gz ZWARAXXGJAPANW-MWLCHTKSSA-N 0 3 301.383 2.104 20 10 DECDHN COCCN1CC[C@H]([NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)C1 ZINC000756552164 639672890 /nfs/dbraw/zinc/67/28/90/639672890.db2.gz LTUXXXQZUCCJOE-OBJOEFQTSA-N 0 3 308.397 2.390 20 10 DECDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(C3CC3)C2)c2c1c(F)ccc2[O-] ZINC000756735977 639691200 /nfs/dbraw/zinc/69/12/00/639691200.db2.gz JWNJEBIVCANPNP-GIPNMCIBSA-N 0 3 304.365 2.433 20 10 DECDHN CCN(CC)c1ccc(CNC(=O)N2C[C@H](C)NC[C@H]2C)cc1 ZINC000841719702 650551430 /nfs/dbraw/zinc/55/14/30/650551430.db2.gz OVIDSVFHESXBSS-LSDHHAIUSA-N 0 3 318.465 2.425 20 10 DECDHN C[C@H]1[C@H](NCCF)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000987593935 640230771 /nfs/dbraw/zinc/23/07/71/640230771.db2.gz HGEOQCKVVZVTDX-GXFFZTMASA-N 0 3 321.356 2.011 20 10 DECDHN COc1cc(Br)cc(C[NH2+][C@H]2C[C@@](C)(O)C2)c1[O-] ZINC000841891850 650595278 /nfs/dbraw/zinc/59/52/78/650595278.db2.gz QOPMFYFDYACXPM-GSJFWJNXSA-N 0 3 316.195 2.166 20 10 DECDHN O=C(NCc1ccccc1O)NC[C@@H]1CCCCN1C1CC1 ZINC000764837892 640701049 /nfs/dbraw/zinc/70/10/49/640701049.db2.gz BACVNTFUCYWZJI-HNNXBMFYSA-N 0 3 303.406 2.208 20 10 DECDHN c1nn2ccccc2c1CNCc1ccc(N2CCOCC2)cc1 ZINC000729678404 640824107 /nfs/dbraw/zinc/82/41/07/640824107.db2.gz UAWKLKJOSIJFMM-UHFFFAOYSA-N 0 3 322.412 2.461 20 10 DECDHN CC[C@@H]([NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1)c1ccccc1[O-] ZINC000898152588 641038713 /nfs/dbraw/zinc/03/87/13/641038713.db2.gz LSDCBIGTYTVCKG-GXTWGEPZSA-N 0 3 314.389 2.207 20 10 DECDHN OCCC1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000768236278 641061565 /nfs/dbraw/zinc/06/15/65/641061565.db2.gz FRQBFCCCEBOZPL-UHFFFAOYSA-N 0 3 322.424 2.257 20 10 DECDHN CCOC[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768449614 641083665 /nfs/dbraw/zinc/08/36/65/641083665.db2.gz WXAXSRZFGMSWTQ-BLLLJJGKSA-N 0 3 307.390 2.067 20 10 DECDHN CCOC[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768449614 641083672 /nfs/dbraw/zinc/08/36/72/641083672.db2.gz WXAXSRZFGMSWTQ-BLLLJJGKSA-N 0 3 307.390 2.067 20 10 DECDHN Cc1cnc(CC[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)s1 ZINC000768466240 641086106 /nfs/dbraw/zinc/08/61/06/641086106.db2.gz WBWOOFVLWRJSOE-CQSZACIVSA-N 0 3 320.414 2.257 20 10 DECDHN Cc1cnc(CC[N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)s1 ZINC000768466240 641086110 /nfs/dbraw/zinc/08/61/10/641086110.db2.gz WBWOOFVLWRJSOE-CQSZACIVSA-N 0 3 320.414 2.257 20 10 DECDHN COC(=O)[C@@H]1CC12CC[NH+](Cc1c([O-])cccc1OC)CC2 ZINC000769427826 641238256 /nfs/dbraw/zinc/23/82/56/641238256.db2.gz PKKGCEKRWRZICA-ZDUSSCGKSA-N 0 3 305.374 2.176 20 10 DECDHN CC1(O)CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000769448041 641241504 /nfs/dbraw/zinc/24/15/04/641241504.db2.gz XVCARWGPFWXJGW-UHFFFAOYSA-N 0 3 308.397 2.009 20 10 DECDHN Cc1cc(CNC[C@@H](c2ccc(N(C)C)cc2)N(C)C)nn1C ZINC000898450097 641662014 /nfs/dbraw/zinc/66/20/14/641662014.db2.gz NHJVXBZVCQECBP-SFHVURJKSA-N 0 3 315.465 2.187 20 10 DECDHN C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@@H](C)O1 ZINC000775634391 642069395 /nfs/dbraw/zinc/06/93/95/642069395.db2.gz RYPMIJUHAMZMLT-HZPDHXFCSA-N 0 3 303.450 2.048 20 10 DECDHN Fc1ccc(CNCc2ccc(N3CCOCC3)cc2)cn1 ZINC000778160329 642345909 /nfs/dbraw/zinc/34/59/09/642345909.db2.gz SVOGIPGXNNFKJJ-UHFFFAOYSA-N 0 3 301.365 2.347 20 10 DECDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)CC(N)=O)c1[O-] ZINC000779030862 642456737 /nfs/dbraw/zinc/45/67/37/642456737.db2.gz XTWZFINIFKZDSD-BDAKNGLRSA-N 0 3 315.211 2.378 20 10 DECDHN CC(=O)c1cc(F)cc(CN2CCC[C@@H]3CC[C@@]32C[NH3+])c1[O-] ZINC000903796070 643465663 /nfs/dbraw/zinc/46/56/63/643465663.db2.gz RYRJEPUCPZDXBO-CXAGYDPISA-N 0 3 306.381 2.437 20 10 DECDHN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCCN1C1CC1 ZINC000787375755 643488704 /nfs/dbraw/zinc/48/87/04/643488704.db2.gz FYUXYTWWBVOABA-KRWDZBQOSA-N 0 3 301.434 2.304 20 10 DECDHN COCC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@@H]1CC[C@@H](C)C1 ZINC000790481643 643857929 /nfs/dbraw/zinc/85/79/29/643857929.db2.gz YABNFBGRFXNXQQ-MRRJBJDNSA-N 0 3 321.417 2.455 20 10 DECDHN COCC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@@H]1CC[C@@H](C)C1 ZINC000790481643 643857933 /nfs/dbraw/zinc/85/79/33/643857933.db2.gz YABNFBGRFXNXQQ-MRRJBJDNSA-N 0 3 321.417 2.455 20 10 DECDHN Cc1ccc(C(=O)NC[C@H]2N(C)CCCC2(C)C)c(O)c1O ZINC000791146014 643933713 /nfs/dbraw/zinc/93/37/13/643933713.db2.gz DHSRECANHGBIMV-CYBMUJFWSA-N 0 3 306.406 2.256 20 10 DECDHN COC[C@](C)(CO)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000793046887 644184881 /nfs/dbraw/zinc/18/48/81/644184881.db2.gz DYACFNXXBKWSNZ-AWEZNQCLSA-N 0 3 320.355 2.258 20 10 DECDHN CC[C@H]([NH2+]Cc1nnnn1CC1CC1)c1ccc(F)cc1[O-] ZINC000796944967 644816637 /nfs/dbraw/zinc/81/66/37/644816637.db2.gz HVJBNFQPLATBAD-ZDUSSCGKSA-N 0 3 305.357 2.169 20 10 DECDHN CCCN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CCN(C)C1 ZINC000843989479 651059577 /nfs/dbraw/zinc/05/95/77/651059577.db2.gz OMAWGSXCPJHBSH-HZRUHFOJSA-N 0 3 304.390 2.054 20 10 DECDHN COc1cc(C)cc(CN2CCC[C@H](OC(=O)N(C)C)C2)c1O ZINC000840105944 645971830 /nfs/dbraw/zinc/97/18/30/645971830.db2.gz GJYXZMPAUXXVMK-AWEZNQCLSA-N 0 3 322.405 2.372 20 10 DECDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)C(=O)NCCF)c1[O-] ZINC000808717623 646131592 /nfs/dbraw/zinc/13/15/92/646131592.db2.gz KCAZPDDSOUASQT-VHSXEESVSA-N 0 3 302.777 2.479 20 10 DECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC(=O)NCC(F)F)c1[O-] ZINC000808717548 646131767 /nfs/dbraw/zinc/13/17/67/646131767.db2.gz DFRAXBYIJJQZPP-MRVPVSSYSA-N 0 3 306.740 2.386 20 10 DECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCNC(=O)c2ccn[nH]2)c1[O-] ZINC000808712144 646131920 /nfs/dbraw/zinc/13/19/20/646131920.db2.gz CAYGKALAZIIBIP-SNVBAGLBSA-N 0 3 322.796 2.158 20 10 DECDHN CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC000914338574 647271982 /nfs/dbraw/zinc/27/19/82/647271982.db2.gz ZEYYUKTZTIVEHZ-LBPRGKRZSA-N 0 3 309.385 2.062 20 10 DECDHN CCC[N@H+]1CC[C@@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC000914338574 647271984 /nfs/dbraw/zinc/27/19/84/647271984.db2.gz ZEYYUKTZTIVEHZ-LBPRGKRZSA-N 0 3 309.385 2.062 20 10 DECDHN CN(C)c1ccc(CNC[C@@H](O)c2ccc(F)cn2)cc1F ZINC000818984743 647557277 /nfs/dbraw/zinc/55/72/77/647557277.db2.gz FTAWMJGWEYESBH-MRXNPFEDSA-N 0 3 307.344 2.249 20 10 DECDHN Cc1cc([O-])c(C[NH2+]C[C@H]2CN3CCC[C@@H]3CO2)cc1Cl ZINC000825247188 648731077 /nfs/dbraw/zinc/73/10/77/648731077.db2.gz OEOFDJFTNWPRED-KGLIPLIRSA-N 0 3 310.825 2.307 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]C[C@H](OC)[C@@H]2CCOC2)c1[O-] ZINC000826821770 648931652 /nfs/dbraw/zinc/93/16/52/648931652.db2.gz CSOMVCPIYHRRET-YGRLFVJLSA-N 0 3 315.797 2.195 20 10 DECDHN CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000185029672 649421755 /nfs/dbraw/zinc/42/17/55/649421755.db2.gz GTJGXHSEXDJMBK-ZDUSSCGKSA-N 0 3 314.451 2.023 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c1[O-] ZINC000846071144 651306456 /nfs/dbraw/zinc/30/64/56/651306456.db2.gz BYGWXZYXBLPUQK-SNVBAGLBSA-N 0 3 324.808 2.155 20 10 DECDHN Cc1cc(CN2CCC(N3CN=NC3=O)CC2)ccc1N(C)C ZINC000846885357 651359180 /nfs/dbraw/zinc/35/91/80/651359180.db2.gz JVYKUKWKGZWIIV-UHFFFAOYSA-N 0 3 315.421 2.195 20 10 DECDHN COc1ccc(N2CC[C@@H](CNCc3nc(C)c[nH]3)C2)cc1 ZINC000850329931 651900420 /nfs/dbraw/zinc/90/04/20/651900420.db2.gz GJXKBNKWBTZZRF-AWEZNQCLSA-N 0 3 300.406 2.343 20 10 DECDHN Cn1ncc(C2CC2)c1CNCc1cc2c(cc1O)OCO2 ZINC000850380556 651915695 /nfs/dbraw/zinc/91/56/95/651915695.db2.gz WZRPLQIBJHKORO-UHFFFAOYSA-N 0 3 301.346 2.022 20 10 DECDHN [NH3+][C@]12CCC[C@H]1CN(Cc1cc(Br)ccc1[O-])C2 ZINC000857226744 652083530 /nfs/dbraw/zinc/08/35/30/652083530.db2.gz YMMNPZPCQAAWCU-FZMZJTMJSA-N 0 3 311.223 2.468 20 10 DECDHN CN(C)c1ccc(CNC(=O)C2(N)CC3(CCC3)C2)cc1F ZINC000851627273 652191924 /nfs/dbraw/zinc/19/19/24/652191924.db2.gz KIGABWBSWPYSDN-UHFFFAOYSA-N 0 3 305.397 2.170 20 10 DECDHN CN(C)c1cc(F)c(CNCCCN2CCCC2=O)cc1F ZINC000858088949 652251777 /nfs/dbraw/zinc/25/17/77/652251777.db2.gz ZSXOVZUZJYGNBW-UHFFFAOYSA-N 0 3 311.376 2.133 20 10 DECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1c2ccccc2C(=O)N1C ZINC000858283267 652295993 /nfs/dbraw/zinc/29/59/93/652295993.db2.gz FLWAZMARFPXSAM-OAHLLOKOSA-N 0 3 312.369 2.317 20 10 DECDHN COc1cc(Br)cc(C[NH2+][C@H]2C[C@H](OC)C2)c1[O-] ZINC000858322506 652305820 /nfs/dbraw/zinc/30/58/20/652305820.db2.gz YCYVZXXKNLHBRE-XYPYZODXSA-N 0 3 316.195 2.430 20 10 DECDHN COc1ccc(O)c([C@@H](C)N[C@@H]2CCN(C3CCC3)C2=O)c1 ZINC000858602978 685567094 /nfs/dbraw/zinc/56/70/94/685567094.db2.gz OISDFZPOIKALBD-IAQYHMDHSA-N 0 3 304.390 2.205 20 10 DECDHN COc1ccc(O)c([C@@H](C)NCC(=O)NCc2ccccc2)c1 ZINC000193807514 685049760 /nfs/dbraw/zinc/04/97/60/685049760.db2.gz DNXVAJVYJIKWCL-CYBMUJFWSA-N 0 3 314.385 2.368 20 10 DECDHN CN(C)c1cc(F)c(CNCC[C@@H](O)C(F)(F)F)cc1F ZINC000862367657 686284080 /nfs/dbraw/zinc/28/40/80/686284080.db2.gz QIIYCTJCAPMCEW-GFCCVEGCSA-N 0 3 312.282 2.434 20 10 DECDHN [NH3+]C[C@@H]1CN(Cc2cccc(F)c2[O-])CC[C@@H]1C(F)(F)F ZINC000863645470 686539421 /nfs/dbraw/zinc/53/94/21/686539421.db2.gz IBWCUICTILEQQO-MNOVXSKESA-N 0 3 306.303 2.490 20 10 DECDHN C[C@H]1C[C@H](NC(=O)N2Cc3cccc(O)c3C2)CN1C1CC1 ZINC000875359244 689612379 /nfs/dbraw/zinc/61/23/79/689612379.db2.gz NNKHLADVILANOJ-AAEUAGOBSA-N 0 3 301.390 2.043 20 10 DECDHN CC(C)(C)N1CC[C@H]1CNC(=O)N1Cc2cccc(O)c2C1 ZINC000875710758 689679955 /nfs/dbraw/zinc/67/99/55/689679955.db2.gz QNIYHIPCQCCCAD-ZDUSSCGKSA-N 0 3 303.406 2.290 20 10 DECDHN CCc1cc(CNCc2ccc(N3CCC(O)CC3)cc2)n[nH]1 ZINC000877034068 690003635 /nfs/dbraw/zinc/00/36/35/690003635.db2.gz XGSAQCZRCCCCLW-UHFFFAOYSA-N 0 3 314.433 2.223 20 10 DECDHN Cc1ccc(C[NH2+]C[C@H](Cc2ccc(F)cc2)C(N)=O)c([O-])c1 ZINC000877140600 690027622 /nfs/dbraw/zinc/02/76/22/690027622.db2.gz HHXDYUSQTKXMKN-HNNXBMFYSA-N 0 3 316.376 2.274 20 10 DECDHN Cc1ccc(CNCc2ccc(S(C)(=O)=O)s2)c(O)c1 ZINC000877465576 690121624 /nfs/dbraw/zinc/12/16/24/690121624.db2.gz BJFIDCZNMXPRQU-UHFFFAOYSA-N 0 3 311.428 2.455 20 10 DECDHN Cc1ccc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c([O-])c1 ZINC000877559999 690152087 /nfs/dbraw/zinc/15/20/87/690152087.db2.gz CNWSWHJOOJECHR-GOEBONIOSA-N 0 3 310.397 2.482 20 10 DECDHN Cc1ccc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c([O-])c1 ZINC000877559999 690152090 /nfs/dbraw/zinc/15/20/90/690152090.db2.gz CNWSWHJOOJECHR-GOEBONIOSA-N 0 3 310.397 2.482 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]CCC[C@@H]2CCOC2=O)c1[O-] ZINC000877808305 690237593 /nfs/dbraw/zinc/23/75/93/690237593.db2.gz XXVBVHHMCCMLOD-SNVBAGLBSA-N 0 3 313.781 2.487 20 10 DECDHN CCOC(=O)c1c(C)[nH]nc1CN[C@@H](C)c1ccccc1O ZINC000879650540 690699023 /nfs/dbraw/zinc/69/90/23/690699023.db2.gz GQFVRWJQDCGFSX-JTQLQIEISA-N 0 3 303.362 2.451 20 10 DECDHN CCN1CCN(CCC[NH2+][C@@H](C)c2c([O-])cccc2F)CC1 ZINC000886502937 692095003 /nfs/dbraw/zinc/09/50/03/692095003.db2.gz USDZFAJSQFQVAV-AWEZNQCLSA-N 0 3 309.429 2.210 20 10 DECDHN CCC1([NH+]2CCC2)CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000924382627 693129831 /nfs/dbraw/zinc/12/98/31/693129831.db2.gz RAMNAEHOVJTSJC-UHFFFAOYSA-N 0 3 318.417 2.497 20 10 DECDHN C[C@@H](CCNCc1cc(F)c(N(C)C)cc1F)[S@@](C)=O ZINC001348090590 1151119094 /nfs/dbraw/zinc/11/90/94/1151119094.db2.gz ZOKKICZXPDZDEM-WVDJIFEKSA-N 0 3 304.406 2.278 20 10 DECDHN CC(C)N1CC[C@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994652 784295342 /nfs/dbraw/zinc/29/53/42/784295342.db2.gz QYJPGOCCSODZMW-AWEZNQCLSA-N 0 3 317.393 2.404 20 10 DECDHN COc1ccc(CN2CC[C@@H]([NH3+])[C@@H](F)CC2)c([O-])c1Cl ZINC001206201589 793734248 /nfs/dbraw/zinc/73/42/48/793734248.db2.gz XXOHHHZBHMNSPE-WDEREUQCSA-N 0 3 302.777 2.315 20 10 DECDHN Cc1ccc(C(=O)N2CCN(C3CCCC3)[C@@H](C)C2)c(O)c1O ZINC001123943386 796006127 /nfs/dbraw/zinc/00/61/27/796006127.db2.gz MJFFEAIDEUEIIC-ZDUSSCGKSA-N 0 3 318.417 2.495 20 10 DECDHN Oc1ccc(F)cc1CN1CCC(Oc2ccncn2)CC1 ZINC001140060437 796472112 /nfs/dbraw/zinc/47/21/12/796472112.db2.gz VXOGMYMHOCBPIC-UHFFFAOYSA-N 0 3 303.337 2.365 20 10 DECDHN [O-]c1ccc(F)cc1C[NH+]1CCC(Oc2ccncn2)CC1 ZINC001140060437 796472114 /nfs/dbraw/zinc/47/21/14/796472114.db2.gz VXOGMYMHOCBPIC-UHFFFAOYSA-N 0 3 303.337 2.365 20 10 DECDHN Cc1ccc(C[N@@H+]2C[C@H]3CCN(c4ncccn4)C[C@H]3C2)c([O-])c1 ZINC001140949909 796606336 /nfs/dbraw/zinc/60/63/36/796606336.db2.gz JTKDTSVHJWVABX-NVXWUHKLSA-N 0 3 324.428 2.449 20 10 DECDHN Cc1ccc(C[N@H+]2C[C@H]3CCN(c4ncccn4)C[C@H]3C2)c([O-])c1 ZINC001140949909 796606339 /nfs/dbraw/zinc/60/63/39/796606339.db2.gz JTKDTSVHJWVABX-NVXWUHKLSA-N 0 3 324.428 2.449 20 10 DECDHN COc1cc(O)c(CN2CC[C@H]3CCCO[C@H]3C2)c(OC)c1 ZINC001141026251 796620685 /nfs/dbraw/zinc/62/06/85/796620685.db2.gz JGJDDEOYCWDUBM-PXAZEXFGSA-N 0 3 307.390 2.410 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)c(OC)c1 ZINC001141026251 796620688 /nfs/dbraw/zinc/62/06/88/796620688.db2.gz JGJDDEOYCWDUBM-PXAZEXFGSA-N 0 3 307.390 2.410 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)c(OC)c1 ZINC001141026251 796620689 /nfs/dbraw/zinc/62/06/89/796620689.db2.gz JGJDDEOYCWDUBM-PXAZEXFGSA-N 0 3 307.390 2.410 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@](O)(CF)CC2)c(OC)c1 ZINC001141031801 796621327 /nfs/dbraw/zinc/62/13/27/796621327.db2.gz MCMFXHCPBVPICL-INIZCTEOSA-N 0 3 313.369 2.096 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CCC[C@@](O)(CF)CC2)c(OC)c1 ZINC001141031801 796621328 /nfs/dbraw/zinc/62/13/28/796621328.db2.gz MCMFXHCPBVPICL-INIZCTEOSA-N 0 3 313.369 2.096 20 10 DECDHN COc1cc([O-])c(C[N@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c(OC)c1 ZINC001141032555 796622257 /nfs/dbraw/zinc/62/22/57/796622257.db2.gz GKKCNGNCDWSHRH-YPMHNXCESA-N 0 3 305.374 2.210 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c(OC)c1 ZINC001141032555 796622260 /nfs/dbraw/zinc/62/22/60/796622260.db2.gz GKKCNGNCDWSHRH-YPMHNXCESA-N 0 3 305.374 2.210 20 10 DECDHN O[C@@H]1CN(Cc2cc3c4c(c2)CCCN4CCC3)CC[C@H]1F ZINC001141074863 796631757 /nfs/dbraw/zinc/63/17/57/796631757.db2.gz VNCNIZGIWFPCKW-IAGOWNOFSA-N 0 3 304.409 2.290 20 10 DECDHN COC(=O)[C@@H]1CN(Cc2cccc(C(C)(C)C)c2O)CCCO1 ZINC001143117236 796803177 /nfs/dbraw/zinc/80/31/77/796803177.db2.gz ZAYLWYBYROOVAH-HNNXBMFYSA-N 0 3 321.417 2.454 20 10 DECDHN C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1=CCN(C)CC1 ZINC001154042255 797450327 /nfs/dbraw/zinc/45/03/27/797450327.db2.gz DVZVGELLIDIGIY-LLVKDONJSA-N 0 3 315.377 2.229 20 10 DECDHN COC(=O)N1CC(NCc2ccc(N3CCCCC3)cc2)C1 ZINC001202074339 798827958 /nfs/dbraw/zinc/82/79/58/798827958.db2.gz MDASEFTUOYJWCL-UHFFFAOYSA-N 0 3 303.406 2.217 20 10 DECDHN Oc1c(F)cccc1CN1CC(N2CCC(F)(F)CC2)C1 ZINC001138128490 799594302 /nfs/dbraw/zinc/59/43/02/799594302.db2.gz NOZSOBFCYCLJOA-UHFFFAOYSA-N 0 3 300.324 2.447 20 10 DECDHN Cc1noc([C@H]2C[C@@H]3CC[N@H+](Cc4ccccc4[O-])C[C@H]3O2)n1 ZINC001203551910 800077869 /nfs/dbraw/zinc/07/78/69/800077869.db2.gz SJKGWBVHPTVRKP-APHBMKBZSA-N 0 3 315.373 2.436 20 10 DECDHN Cc1noc([C@H]2C[C@@H]3CC[N@@H+](Cc4ccccc4[O-])C[C@H]3O2)n1 ZINC001203551910 800077874 /nfs/dbraw/zinc/07/78/74/800077874.db2.gz SJKGWBVHPTVRKP-APHBMKBZSA-N 0 3 315.373 2.436 20 10 DECDHN CCC1=NC2(CC[NH+](Cc3ccccc3[O-])CC2)C(=O)N1C ZINC001203561379 800080451 /nfs/dbraw/zinc/08/04/51/800080451.db2.gz TWSZCFRLIKEISY-UHFFFAOYSA-N 0 3 301.390 2.007 20 10 DECDHN COC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204274266 800198363 /nfs/dbraw/zinc/19/83/63/800198363.db2.gz LMEVGPVLICCDRW-IAGOWNOFSA-N 0 3 307.390 2.115 20 10 DECDHN COC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204274266 800198366 /nfs/dbraw/zinc/19/83/66/800198366.db2.gz LMEVGPVLICCDRW-IAGOWNOFSA-N 0 3 307.390 2.115 20 10 DECDHN CC(C)N1CC2(CC1=O)CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001204277752 800199249 /nfs/dbraw/zinc/19/92/49/800199249.db2.gz KOXRSTOPJUYASJ-UHFFFAOYSA-N 0 3 318.417 2.321 20 10 DECDHN Cc1cc(C)c(CN2CCN(C[C@H]3CCCO3)CC2)c(O)c1 ZINC001231844058 801735800 /nfs/dbraw/zinc/73/58/00/801735800.db2.gz GEHCBCUDZDPYIR-MRXNPFEDSA-N 0 3 304.434 2.306 20 10 DECDHN COc1ccc(CCN(C)Cc2cc(O)c(O)c(O)c2)cc1 ZINC001233013728 802002944 /nfs/dbraw/zinc/00/29/44/802002944.db2.gz SQBSODJDVSOWKN-UHFFFAOYSA-N 0 3 303.358 2.487 20 10 DECDHN CN1CC[C@@H]([N@H+](C)Cc2c([O-])cc(Br)cc2F)C1 ZINC001233031650 802008142 /nfs/dbraw/zinc/00/81/42/802008142.db2.gz JZSGIOFDFGCYFK-SNVBAGLBSA-N 0 3 317.202 2.430 20 10 DECDHN CN1CC[C@@H]([N@@H+](C)Cc2c([O-])cc(Br)cc2F)C1 ZINC001233031650 802008149 /nfs/dbraw/zinc/00/81/49/802008149.db2.gz JZSGIOFDFGCYFK-SNVBAGLBSA-N 0 3 317.202 2.430 20 10 DECDHN COc1cc(Cl)cc(CN2CCC(=O)N3CCC[C@@H]3C2)c1O ZINC001233290916 802064487 /nfs/dbraw/zinc/06/44/87/802064487.db2.gz CVLJLWDHSFNXOS-CYBMUJFWSA-N 0 3 324.808 2.251 20 10 DECDHN COc1cc(Cl)cc(C[N@@H+]2CCC(=O)N3CCC[C@@H]3C2)c1[O-] ZINC001233290916 802064493 /nfs/dbraw/zinc/06/44/93/802064493.db2.gz CVLJLWDHSFNXOS-CYBMUJFWSA-N 0 3 324.808 2.251 20 10 DECDHN COc1cc(Cl)cc(C[N@H+]2CCC(=O)N3CCC[C@@H]3C2)c1[O-] ZINC001233290916 802064498 /nfs/dbraw/zinc/06/44/98/802064498.db2.gz CVLJLWDHSFNXOS-CYBMUJFWSA-N 0 3 324.808 2.251 20 10 DECDHN [O-]c1c(C[N@H+]2CCC[C@@H](CO)C2)cccc1OC(F)(F)F ZINC001233727253 802190957 /nfs/dbraw/zinc/19/09/57/802190957.db2.gz KXKVFHDRRNPMNF-SNVBAGLBSA-N 0 3 305.296 2.495 20 10 DECDHN [O-]c1c(C[N@@H+]2CCC[C@@H](CO)C2)cccc1OC(F)(F)F ZINC001233727253 802190959 /nfs/dbraw/zinc/19/09/59/802190959.db2.gz KXKVFHDRRNPMNF-SNVBAGLBSA-N 0 3 305.296 2.495 20 10 DECDHN C[C@@H]([NH2+]CCc1nnc2ccccn21)c1cc(F)ccc1[O-] ZINC000316866709 802527434 /nfs/dbraw/zinc/52/74/34/802527434.db2.gz YLPPLSIXPCNHGV-LLVKDONJSA-N 0 3 300.337 2.467 20 10 DECDHN CCC[N@H+](Cc1ccccc1O)Cc1ccncc1-c1nnn[n-]1 ZINC001604216060 1070281745 /nfs/dbraw/zinc/28/17/45/1070281745.db2.gz WNEYTJKIFRMSJD-UHFFFAOYSA-N 0 3 324.388 2.380 20 10 DECDHN CCC[N@@H+](Cc1ccccc1O)Cc1ccncc1-c1nnn[n-]1 ZINC001604216060 1070281755 /nfs/dbraw/zinc/28/17/55/1070281755.db2.gz WNEYTJKIFRMSJD-UHFFFAOYSA-N 0 3 324.388 2.380 20 10 DECDHN Cc1ccc(O)c(C[NH2+][C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)c1 ZINC001605875495 1070958204 /nfs/dbraw/zinc/95/82/04/1070958204.db2.gz HBMDHHAEKGZDLE-INIZCTEOSA-N 0 3 321.384 2.138 20 10 DECDHN C[C@H]([NH2+]CCn1cnc2ccccc2c1=O)c1ccccc1[O-] ZINC001620504835 1078164215 /nfs/dbraw/zinc/16/42/15/1078164215.db2.gz CGYDXUSYFFCAER-ZDUSSCGKSA-N 0 3 309.369 2.453 20 10 DECDHN COC(=O)c1ccccc1N(C)C(=O)c1cccc2c1CCNC2 ZINC001578879950 1067189128 /nfs/dbraw/zinc/18/91/28/1067189128.db2.gz FPLACPZFOFJQSU-UHFFFAOYSA-N 0 3 324.380 2.396 20 10 DECDHN COCC[C@@H](N)C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001573975457 1069138764 /nfs/dbraw/zinc/13/87/64/1069138764.db2.gz LLJKFCHLWDXRMA-QGZVFWFLSA-N 0 3 315.417 2.074 20 10 DECDHN CCCn1cncc1CNCc1ccc(N2CCOCC2)cc1 ZINC001560291537 1075136287 /nfs/dbraw/zinc/13/62/87/1075136287.db2.gz VHWSVZOVCGLHGX-UHFFFAOYSA-N 0 3 314.433 2.420 20 10 DECDHN COc1cc(C)c(C[NH2+]C[C@H]2CCN2C2CCOCC2)c([O-])c1 ZINC001561021404 1075149963 /nfs/dbraw/zinc/14/99/63/1075149963.db2.gz LCDHUQUVNBPVTL-OAHLLOKOSA-N 0 3 320.433 2.052 20 10 DECDHN COc1cc(C)c(CN2CCCC[C@@H]2C2OCCO2)c(O)c1 ZINC001658824360 1080218484 /nfs/dbraw/zinc/21/84/84/1080218484.db2.gz OTPFBOZYFNGHKS-OAHLLOKOSA-N 0 3 307.390 2.437 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)c([O-])c1 ZINC001660316428 1080308595 /nfs/dbraw/zinc/30/85/95/1080308595.db2.gz PIBHSPWQMJIDGX-CQSZACIVSA-N 0 3 318.417 2.154 20 10 DECDHN COc1cc(C)c(C[N@H+]2CC[C@@H](CN3CCCC3=O)C2)c([O-])c1 ZINC001660316428 1080308601 /nfs/dbraw/zinc/30/86/01/1080308601.db2.gz PIBHSPWQMJIDGX-CQSZACIVSA-N 0 3 318.417 2.154 20 10 DECDHN CCN1CCN(c2ccc(O[C@H]3C[C@@H](C(=O)OC)C3)cc2)CC1 ZINC001234657435 1084189309 /nfs/dbraw/zinc/18/93/09/1084189309.db2.gz DBTWNVVRPOOPQZ-KDYLLFBJSA-N 0 3 318.417 2.159 20 10 DECDHN [O-]c1c(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)cccc1-c1ccccc1 ZINC001234998129 1084264844 /nfs/dbraw/zinc/26/48/44/1084264844.db2.gz FUZRGZNYRMSTLT-WMZOPIPTSA-N 0 3 313.397 2.234 20 10 DECDHN [O-]c1c(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)cccc1-c1ccccc1 ZINC001234998129 1084264855 /nfs/dbraw/zinc/26/48/55/1084264855.db2.gz FUZRGZNYRMSTLT-WMZOPIPTSA-N 0 3 313.397 2.234 20 10 DECDHN Cc1cc([O-])c(CN2CCC[C@H]3[NH2+]C[C@@H]32)cc1Br ZINC001235303261 1084380318 /nfs/dbraw/zinc/38/03/18/1084380318.db2.gz KLPLICQRGIMRPQ-OLZOCXBDSA-N 0 3 311.223 2.399 20 10 DECDHN CC(C)(C)c1ccc(CN2CCN3CCOC[C@@H]3C2)c(O)c1 ZINC001235674243 1084495831 /nfs/dbraw/zinc/49/58/31/1084495831.db2.gz DXLGCRNOSANERA-INIZCTEOSA-N 0 3 304.434 2.206 20 10 DECDHN [NH3+]CC1CCN(Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001205046741 1085860474 /nfs/dbraw/zinc/86/04/74/1085860474.db2.gz LDAIKIKHGSWJJJ-UHFFFAOYSA-N 0 3 317.202 2.465 20 10 DECDHN COc1ccc(CNC/C=C\CNC(=O)c2ccc[nH]2)cc1C ZINC001273844096 1092304510 /nfs/dbraw/zinc/30/45/10/1092304510.db2.gz VOKMNMIKBXYPDX-ARJAWSKDSA-N 0 3 313.401 2.408 20 10 DECDHN COc1cc([O-])c(CN2CCC[C@@H]2C[NH3+])c(Br)c1 ZINC001236250111 1138344080 /nfs/dbraw/zinc/34/40/80/1138344080.db2.gz CVRPMXGBLKUWCU-SECBINFHSA-N 0 3 315.211 2.086 20 10 DECDHN C[C@@]1(CO)C[N@H+](Cc2cc3ccccc3cc2[O-])CC[C@H]1O ZINC001236825638 1138439969 /nfs/dbraw/zinc/43/99/69/1138439969.db2.gz AMXXCHVGWBTLTM-MSOLQXFVSA-N 0 3 301.386 2.111 20 10 DECDHN C[C@@]1(CO)C[N@@H+](Cc2cc3ccccc3cc2[O-])CC[C@H]1O ZINC001236825638 1138439987 /nfs/dbraw/zinc/43/99/87/1138439987.db2.gz AMXXCHVGWBTLTM-MSOLQXFVSA-N 0 3 301.386 2.111 20 10 DECDHN CCOc1ccc(C[NH+]2CCC3(CCCC(=O)N3)CC2)c([O-])c1 ZINC001237039802 1138485683 /nfs/dbraw/zinc/48/56/83/1138485683.db2.gz BVEOFLFMXFPWDL-UHFFFAOYSA-N 0 3 318.417 2.426 20 10 DECDHN CCOc1ccc(CN2CCN(CCCCOC)CC2)c(O)c1 ZINC001237048125 1138488725 /nfs/dbraw/zinc/48/87/25/1138488725.db2.gz PSHAXEYQENRXOZ-UHFFFAOYSA-N 0 3 322.449 2.335 20 10 DECDHN CCOc1ccc(C[N@@H+]2CC[C@H](Oc3ncccn3)C2)c([O-])c1 ZINC001237048650 1138489232 /nfs/dbraw/zinc/48/92/32/1138489232.db2.gz VFOCMTIQWSBTBL-HNNXBMFYSA-N 0 3 315.373 2.234 20 10 DECDHN CCOc1ccc(C[N@H+]2CC[C@H](Oc3ncccn3)C2)c([O-])c1 ZINC001237048650 1138489237 /nfs/dbraw/zinc/48/92/37/1138489237.db2.gz VFOCMTIQWSBTBL-HNNXBMFYSA-N 0 3 315.373 2.234 20 10 DECDHN C[C@H]1CCCN(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001237202270 1138529810 /nfs/dbraw/zinc/52/98/10/1138529810.db2.gz DYSLDKNTWWEFPU-HNNXBMFYSA-N 0 3 322.474 2.153 20 10 DECDHN CC(=O)N[C@@H]1CC[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249258796 1141865192 /nfs/dbraw/zinc/86/51/92/1141865192.db2.gz MPCZTNBIXFJZFW-CQSZACIVSA-N 0 3 316.401 2.287 20 10 DECDHN CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249258796 1141865195 /nfs/dbraw/zinc/86/51/95/1141865195.db2.gz MPCZTNBIXFJZFW-CQSZACIVSA-N 0 3 316.401 2.287 20 10 DECDHN CC(=O)N[C@@H]1CCN(Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249258796 1141865196 /nfs/dbraw/zinc/86/51/96/1141865196.db2.gz MPCZTNBIXFJZFW-CQSZACIVSA-N 0 3 316.401 2.287 20 10 DECDHN C[C@H]([NH2+]CCN1C(=O)COc2ccccc21)c1ccccc1[O-] ZINC001323681048 1141876469 /nfs/dbraw/zinc/87/64/69/1141876469.db2.gz KRJMMIORDYRENP-ZDUSSCGKSA-N 0 3 312.369 2.468 20 10 DECDHN CCn1ccnc1NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001261366677 1144238725 /nfs/dbraw/zinc/23/87/25/1144238725.db2.gz BWMDUARQWPCTQG-UHFFFAOYSA-N 0 3 317.412 2.406 20 10 DECDHN [O-]c1ccc(F)cc1C[NH2+]Cc1ccc(-c2nncnn2)cc1 ZINC001308846394 1147487321 /nfs/dbraw/zinc/48/73/21/1147487321.db2.gz RHOMAZXPRRFQHW-UHFFFAOYSA-N 0 3 311.320 2.068 20 10 DECDHN CN(C)c1ccc(CNC(=O)NCCN2CCCCC2)cc1F ZINC000058482942 354592328 /nfs/dbraw/zinc/59/23/28/354592328.db2.gz FQVSAZGZFPSSAF-UHFFFAOYSA-N 0 3 322.428 2.177 20 10 DECDHN COc1cccc(C[NH+]2CCC(C)(N3CCOCC3)CC2)c1[O-] ZINC000529665482 284234951 /nfs/dbraw/zinc/23/49/51/284234951.db2.gz YONKGVAWYHSCFZ-UHFFFAOYSA-N 0 3 320.433 2.088 20 10 DECDHN CN(C)c1ccc(CNC(=O)N2CCC[C@@H](N(C)C)C2)cc1F ZINC000105205977 194084673 /nfs/dbraw/zinc/08/46/73/194084673.db2.gz QWPLSBDSKDYHED-CQSZACIVSA-N 0 3 322.428 2.127 20 10 DECDHN COc1cccc(CNC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)c1O ZINC000105650464 194118240 /nfs/dbraw/zinc/11/82/40/194118240.db2.gz RTSKKEHBDINXOA-UPJWGTAASA-N 0 3 306.406 2.278 20 10 DECDHN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCCN1C1CCCC1 ZINC000272298007 130016976 /nfs/dbraw/zinc/01/69/76/130016976.db2.gz IERQRBIYZRYQRZ-AWEZNQCLSA-N 0 3 304.390 2.121 20 10 DECDHN Cc1ccc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)c([O-])c1O ZINC000272567844 130041912 /nfs/dbraw/zinc/04/19/12/130041912.db2.gz HQMKRKOZBMAMMO-UHFFFAOYSA-N 0 3 306.406 2.351 20 10 DECDHN Cn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000275420649 130317017 /nfs/dbraw/zinc/31/70/17/130317017.db2.gz DPIOJNAFUNYORA-RDJZCZTQSA-N 0 3 313.401 2.365 20 10 DECDHN Cc1cccc(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c1[O-] ZINC000289203892 131365673 /nfs/dbraw/zinc/36/56/73/131365673.db2.gz BOJVCBWWHSLACA-CYBMUJFWSA-N 0 3 318.339 2.053 20 10 DECDHN Cc1cccc(CNC[C@@H](N2CCOCC2)C(F)(F)F)c1O ZINC000289203892 131365675 /nfs/dbraw/zinc/36/56/75/131365675.db2.gz BOJVCBWWHSLACA-CYBMUJFWSA-N 0 3 318.339 2.053 20 10 DECDHN CCN(CC)c1ccc(CNC[C@H]2CCS(=O)(=O)C2)cc1 ZINC000037982469 401918855 /nfs/dbraw/zinc/91/88/55/401918855.db2.gz IWEBSCKWDMPGRY-OAHLLOKOSA-N 0 3 310.463 2.057 20 10 DECDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000093018008 402010647 /nfs/dbraw/zinc/01/06/47/402010647.db2.gz BCZVDSRCUKDRCR-INIZCTEOSA-N 0 3 304.434 2.245 20 10 DECDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000093018008 402010651 /nfs/dbraw/zinc/01/06/51/402010651.db2.gz BCZVDSRCUKDRCR-INIZCTEOSA-N 0 3 304.434 2.245 20 10 DECDHN CC(=O)NC[C@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000155544141 402260004 /nfs/dbraw/zinc/26/00/04/402260004.db2.gz ZYYKVOUDGPVNHV-OAHLLOKOSA-N 0 3 307.413 2.240 20 10 DECDHN CCOc1cccc(C[N@@H+]2CCC[C@H](CNC(C)=O)C2)c1[O-] ZINC000155597516 402262169 /nfs/dbraw/zinc/26/21/69/402262169.db2.gz AOMZJQXRTQUROT-CQSZACIVSA-N 0 3 306.406 2.139 20 10 DECDHN CCOc1cccc(C[N@H+]2CCC[C@H](CNC(C)=O)C2)c1[O-] ZINC000155597516 402262170 /nfs/dbraw/zinc/26/21/70/402262170.db2.gz AOMZJQXRTQUROT-CQSZACIVSA-N 0 3 306.406 2.139 20 10 DECDHN CC[C@@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000176248766 402294216 /nfs/dbraw/zinc/29/42/16/402294216.db2.gz MOGGZOQQCIIJRY-OAHLLOKOSA-N 0 3 303.450 2.443 20 10 DECDHN CC(C)[C@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])N1CCN(C)CC1 ZINC000170789711 402525677 /nfs/dbraw/zinc/52/56/77/402525677.db2.gz QIWOZJISAXWEAU-PBHICJAKSA-N 0 3 323.456 2.454 20 10 DECDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1[O-] ZINC000179779550 402600230 /nfs/dbraw/zinc/60/02/30/402600230.db2.gz WCHZWUXRPHHOHJ-OAHLLOKOSA-N 0 3 310.825 2.261 20 10 DECDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](N3CCOCC3)C2)c1[O-] ZINC000179779550 402600232 /nfs/dbraw/zinc/60/02/32/402600232.db2.gz WCHZWUXRPHHOHJ-OAHLLOKOSA-N 0 3 310.825 2.261 20 10 DECDHN CCN(CC)c1ccc(CN[C@]2(CCO)CCOC2)cc1F ZINC000278508585 402866987 /nfs/dbraw/zinc/86/69/87/402866987.db2.gz PJBICTHGTSZVNK-QGZVFWFLSA-N 0 3 310.413 2.303 20 10 DECDHN NC(=O)N[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000271415940 402868680 /nfs/dbraw/zinc/86/86/80/402868680.db2.gz YMRBMQAFUCALPI-MRXNPFEDSA-N 0 3 311.385 2.302 20 10 DECDHN NC(=O)N[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000271415940 402868682 /nfs/dbraw/zinc/86/86/82/402868682.db2.gz YMRBMQAFUCALPI-MRXNPFEDSA-N 0 3 311.385 2.302 20 10 DECDHN CCC[N@@H+]1CC[C@H](CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000278944626 402889002 /nfs/dbraw/zinc/88/90/02/402889002.db2.gz YKCWIOREDDNBSC-GFCCVEGCSA-N 0 3 323.393 2.131 20 10 DECDHN CCC[N@H+]1CC[C@H](CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000278944626 402889004 /nfs/dbraw/zinc/88/90/04/402889004.db2.gz YKCWIOREDDNBSC-GFCCVEGCSA-N 0 3 323.393 2.131 20 10 DECDHN CCCN1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000278944626 402889005 /nfs/dbraw/zinc/88/90/05/402889005.db2.gz YKCWIOREDDNBSC-GFCCVEGCSA-N 0 3 323.393 2.131 20 10 DECDHN CC[C@H]([NH2+][C@@H](CC)c1ccc(C)cc1[O-])C(=O)N1CCOCC1 ZINC000279966132 402965760 /nfs/dbraw/zinc/96/57/60/402965760.db2.gz CQHAQTPOUSPBRC-HOTGVXAUSA-N 0 3 320.433 2.379 20 10 DECDHN CC1(C)C[N@H+](Cc2cc(Br)ccc2[O-])C[C@H]1O ZINC000280511826 403007663 /nfs/dbraw/zinc/00/76/63/403007663.db2.gz QHUWAUXMBKZBRI-GFCCVEGCSA-N 0 3 300.196 2.357 20 10 DECDHN CC1(C)C[N@@H+](Cc2cc(Br)ccc2[O-])C[C@H]1O ZINC000280511826 403007665 /nfs/dbraw/zinc/00/76/65/403007665.db2.gz QHUWAUXMBKZBRI-GFCCVEGCSA-N 0 3 300.196 2.357 20 10 DECDHN CS(=O)(=O)[C@@H]1CCN(Cc2c(O)ccc3ccccc32)C1 ZINC000281764764 403089577 /nfs/dbraw/zinc/08/95/77/403089577.db2.gz CVYNNIJZZKBDLB-CYBMUJFWSA-N 0 3 305.399 2.164 20 10 DECDHN CCN(C)c1ccc([C@@H](C)NC[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000268786003 403113546 /nfs/dbraw/zinc/11/35/46/403113546.db2.gz ZSSQRIBRAPCTMQ-KGLIPLIRSA-N 0 3 310.463 2.228 20 10 DECDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CCO[C@]3(CCSC3)C1)OCO2 ZINC000269106020 403123464 /nfs/dbraw/zinc/12/34/64/403123464.db2.gz AVIPVCVRCGTNNE-MLGOLLRUSA-N 0 3 323.414 2.265 20 10 DECDHN CCNC(=O)C1(C[NH2+][C@H](C)c2cc(OC)ccc2[O-])CCC1 ZINC000277405485 403214192 /nfs/dbraw/zinc/21/41/92/403214192.db2.gz ZGQCGUJFOAWNED-GFCCVEGCSA-N 0 3 306.406 2.358 20 10 DECDHN COc1cccc(CN2CCC(NC(=O)C(C)C)CC2)c1O ZINC000271050956 403257826 /nfs/dbraw/zinc/25/78/26/403257826.db2.gz PLYATKQNAMPGLM-UHFFFAOYSA-N 0 3 306.406 2.137 20 10 DECDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCCS(=O)(=O)C2)c([O-])c1 ZINC000294002892 403621152 /nfs/dbraw/zinc/62/11/52/403621152.db2.gz CTYBRMGYYDYUBH-UONOGXRCSA-N 0 3 311.447 2.484 20 10 DECDHN CCOc1ccc(O)c(CN2CC[C@@H](OC(=O)N(C)C)C2)c1 ZINC000295091367 403757231 /nfs/dbraw/zinc/75/72/31/403757231.db2.gz JILHNQKJGGONOS-CQSZACIVSA-N 0 3 308.378 2.063 20 10 DECDHN C[C@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1ccccc1[O-] ZINC000315422332 404010617 /nfs/dbraw/zinc/01/06/17/404010617.db2.gz ISVSXBSKCRRFHB-SWLSCSKDSA-N 0 3 301.390 2.309 20 10 DECDHN C[C@@H]1CN(CCC[NH2+][C@@H]2CCc3cccc([O-])c32)C[C@H](C)O1 ZINC000296164556 404124073 /nfs/dbraw/zinc/12/40/73/404124073.db2.gz XKJMEBRMVJWYEF-IJEWVQPXSA-N 0 3 304.434 2.468 20 10 DECDHN CC[C@@H]([NH2+][C@@H](CC)CNS(C)(=O)=O)c1ccc(C)cc1[O-] ZINC000296433172 404245544 /nfs/dbraw/zinc/24/55/44/404245544.db2.gz LZFRADXQRYXSOR-GXTWGEPZSA-N 0 3 314.451 2.069 20 10 DECDHN COc1ccc(O)c(CN(C)CCNC(=O)OC(C)(C)C)c1 ZINC000296599175 404310435 /nfs/dbraw/zinc/31/04/35/404310435.db2.gz RDPMUTOFRPEBMK-UHFFFAOYSA-N 0 3 310.394 2.357 20 10 DECDHN CC[C@@H]([NH2+]C[C@@H](C)CN1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000286323384 286909348 /nfs/dbraw/zinc/90/93/48/286909348.db2.gz XQRXDSDKSRMYDR-RHSMWYFYSA-N 0 3 323.456 2.456 20 10 DECDHN Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2[O-])cn1 ZINC000374901690 227142194 /nfs/dbraw/zinc/14/21/94/227142194.db2.gz WXVABGXNLCFOGJ-DOTOQJQBSA-N 0 3 319.380 2.353 20 10 DECDHN Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2Cc2cc(F)ccc2[O-])cn1 ZINC000374901690 227142199 /nfs/dbraw/zinc/14/21/99/227142199.db2.gz WXVABGXNLCFOGJ-DOTOQJQBSA-N 0 3 319.380 2.353 20 10 DECDHN O=C(c1cn[n-]c1[C@H]1CC[NH2+]C1)N1CCc2ccc(Cl)cc21 ZINC000662422912 425647691 /nfs/dbraw/zinc/64/76/91/425647691.db2.gz RUIXSUHLVYPJDR-NSHDSACASA-N 0 3 316.792 2.343 20 10 DECDHN CN(C)C[C@@H]1CN(C(=O)/C=C/c2cccnc2)c2ccccc2O1 ZINC000370505777 273798916 /nfs/dbraw/zinc/79/89/16/273798916.db2.gz YJJDHXNIIDIMTJ-ZNFPLGDCSA-N 0 3 323.396 2.451 20 10 DECDHN COC(=O)CC1(NCc2ccc(N(C)C)c(F)c2)CCOCC1 ZINC000152551744 277314923 /nfs/dbraw/zinc/31/49/23/277314923.db2.gz NVDTYNJQEADHEQ-UHFFFAOYSA-N 0 3 324.396 2.094 20 10 DECDHN COc1cc(O)c(CN2CCN(CC(C)C)CC2)cc1OC ZINC000159490758 522772464 /nfs/dbraw/zinc/77/24/64/522772464.db2.gz CDPWSQABXPUILN-UHFFFAOYSA-N 0 3 308.422 2.183 20 10 DECDHN COc1cc([O-])c(C[NH2+]C[C@H](c2ccco2)N(C)C)cc1OC ZINC000181616443 522780482 /nfs/dbraw/zinc/78/04/82/522780482.db2.gz LQOJRQYTWHWVBZ-CYBMUJFWSA-N 0 3 320.389 2.395 20 10 DECDHN Cc1ccc(CN(CCO)Cc2cc3c(cc2O)OCO3)cc1 ZINC000180843766 524413413 /nfs/dbraw/zinc/41/34/13/524413413.db2.gz SJNGXRZXHHFLGB-UHFFFAOYSA-N 0 3 315.369 2.424 20 10 DECDHN Cc1cc(C(=O)N2C[C@@H](C)NC[C@H]2C)c(C)n1-c1ccccn1 ZINC000237645033 526261634 /nfs/dbraw/zinc/26/16/34/526261634.db2.gz BXCYTXMISLFAAQ-TZMCWYRMSA-N 0 3 312.417 2.312 20 10 DECDHN CCN(CC)c1ccc(CN2CC[C@@H](CC(N)=O)C2)cc1F ZINC000377847229 528298808 /nfs/dbraw/zinc/29/88/08/528298808.db2.gz KPSVOOTZRPQDSU-AWEZNQCLSA-N 0 3 307.413 2.369 20 10 DECDHN CCOc1ccc([O-])c(C[NH2+]CCc2cn3c(n2)SCC3)c1 ZINC000274273311 535752098 /nfs/dbraw/zinc/75/20/98/535752098.db2.gz RRMFFFFJFFWSDG-UHFFFAOYSA-N 0 3 319.430 2.425 20 10 DECDHN CCOc1cccc(CN[C@@H]2C[C@@H]3CCCCN3C2=O)c1O ZINC000835074535 649875719 /nfs/dbraw/zinc/87/57/19/649875719.db2.gz RPKSTVQYDRSXKY-UONOGXRCSA-N 0 3 304.390 2.034 20 10 DECDHN CN(C)c1ncc(CNCc2ccc3c(c2)CCCN3C)n1C ZINC000840886994 625281362 /nfs/dbraw/zinc/28/13/62/625281362.db2.gz QQWOEKHNQPSPJU-UHFFFAOYSA-N 0 3 313.449 2.158 20 10 DECDHN CCOC(C)(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247303 623791894 /nfs/dbraw/zinc/79/18/94/623791894.db2.gz TWNSUSFKCMYBAS-MRXNPFEDSA-N 0 3 321.465 2.287 20 10 DECDHN CO[C@@H](C)CCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247575 623792464 /nfs/dbraw/zinc/79/24/64/623792464.db2.gz IGJHHZZLCLAZTI-WMLDXEAASA-N 0 3 321.465 2.287 20 10 DECDHN CCC[C@@H](OC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891249249 623793326 /nfs/dbraw/zinc/79/33/26/623793326.db2.gz PWNUEBWGMCAXCO-IAGOWNOFSA-N 0 3 321.465 2.287 20 10 DECDHN CSC1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000891249754 623794547 /nfs/dbraw/zinc/79/45/47/623794547.db2.gz WKYWKAXBRUDSRN-OAHLLOKOSA-N 0 3 321.490 2.367 20 10 DECDHN CC(C)OCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891256251 623803389 /nfs/dbraw/zinc/80/33/89/623803389.db2.gz WLFLGWFRENBTFY-QGZVFWFLSA-N 0 3 321.465 2.287 20 10 DECDHN CC[C@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891409726 624153658 /nfs/dbraw/zinc/15/36/58/624153658.db2.gz IHANAISUYJBLCW-XJKSGUPXSA-N 0 3 306.454 2.453 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)NCC2CCC2)N(C)C)cc1 ZINC000892046526 624758899 /nfs/dbraw/zinc/75/88/99/624758899.db2.gz SVLUMIUZXGTNAQ-KRWDZBQOSA-N 0 3 318.465 2.455 20 10 DECDHN O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3[O-])C2)nc1 ZINC000179577846 625804759 /nfs/dbraw/zinc/80/47/59/625804759.db2.gz QDJNWTSHNDQYBV-ZDUSSCGKSA-N 0 3 314.345 2.382 20 10 DECDHN O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccccc3[O-])C2)nc1 ZINC000179577846 625804761 /nfs/dbraw/zinc/80/47/61/625804761.db2.gz QDJNWTSHNDQYBV-ZDUSSCGKSA-N 0 3 314.345 2.382 20 10 DECDHN CCCN(C)CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000735520345 633516951 /nfs/dbraw/zinc/51/69/51/633516951.db2.gz YLMRGIDYZZUWQR-MRXNPFEDSA-N 0 3 320.433 2.242 20 10 DECDHN O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1cc([O-])cs1 ZINC000736679764 633687996 /nfs/dbraw/zinc/68/79/96/633687996.db2.gz LMWCUSNNFORHTO-UHFFFAOYSA-N 0 3 324.446 2.219 20 10 DECDHN O=C(NCC1(N2CCCCC2)CCOCC1)C1=CC(=O)CS1 ZINC000736679764 633687998 /nfs/dbraw/zinc/68/79/98/633687998.db2.gz LMWCUSNNFORHTO-UHFFFAOYSA-N 0 3 324.446 2.219 20 10 DECDHN COC(=O)[C@@H]1[C@@H](CNCc2ccc3c(c2)CCCN3C)C1(F)F ZINC000894209162 636449236 /nfs/dbraw/zinc/44/92/36/636449236.db2.gz OSCPJAAAFKGELV-HIFRSBDPSA-N 0 3 324.371 2.213 20 10 DECDHN C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cccc(O)c2[O-])C1 ZINC000186948479 636642412 /nfs/dbraw/zinc/64/24/12/636642412.db2.gz XQGAJQQISNEDEG-BETUJISGSA-N 0 3 306.406 2.196 20 10 DECDHN C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cccc(O)c2[O-])C1 ZINC000186948479 636642415 /nfs/dbraw/zinc/64/24/15/636642415.db2.gz XQGAJQQISNEDEG-BETUJISGSA-N 0 3 306.406 2.196 20 10 DECDHN C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc(O)c2[O-])C1 ZINC000187004973 636666024 /nfs/dbraw/zinc/66/60/24/636666024.db2.gz GZWUSUPOJIEVNU-GFCCVEGCSA-N 0 3 306.406 2.338 20 10 DECDHN C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc(O)c2[O-])C1 ZINC000187004973 636666030 /nfs/dbraw/zinc/66/60/30/636666030.db2.gz GZWUSUPOJIEVNU-GFCCVEGCSA-N 0 3 306.406 2.338 20 10 DECDHN COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)NCC(F)(F)F)c1 ZINC000756480767 636818465 /nfs/dbraw/zinc/81/84/65/636818465.db2.gz ZOLLUTVZJFBVDS-DTWKUNHWSA-N 0 3 320.311 2.118 20 10 DECDHN COC(=O)c1c(CN[C@@H]2CO[C@@H](C)C2)c2cc(F)ccc2n1C ZINC000895083716 637526961 /nfs/dbraw/zinc/52/69/61/637526961.db2.gz LVBVUFCYCCWFFF-JQWIXIFHSA-N 0 3 320.364 2.371 20 10 DECDHN C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1cc(F)ccc1[O-] ZINC000840889492 650372180 /nfs/dbraw/zinc/37/21/80/650372180.db2.gz HCVCVCYYDTYHEJ-LLVKDONJSA-N 0 3 315.410 2.397 20 10 DECDHN CCOCCN1CCN(Cc2ccc(N(C)C)cc2C)CC1 ZINC000840909443 650376361 /nfs/dbraw/zinc/37/63/61/650376361.db2.gz CAAUXKNGORPUTR-UHFFFAOYSA-N 0 3 305.466 2.215 20 10 DECDHN CCOc1ccc(C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)c([O-])c1 ZINC000895721895 638165691 /nfs/dbraw/zinc/16/56/91/638165691.db2.gz NUUCQDONNIQLHN-HNNXBMFYSA-N 0 3 321.417 2.154 20 10 DECDHN CCOc1ccc(C[N@H+]2C[C@@H](O)CC3(CCOCC3)C2)c([O-])c1 ZINC000895721895 638165695 /nfs/dbraw/zinc/16/56/95/638165695.db2.gz NUUCQDONNIQLHN-HNNXBMFYSA-N 0 3 321.417 2.154 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)NCC(C)(C)F)N(C)C)cc1 ZINC000896078549 638346700 /nfs/dbraw/zinc/34/67/00/638346700.db2.gz NUFLEUASDBXIAK-HNNXBMFYSA-N 0 3 324.444 2.403 20 10 DECDHN CS(=O)(=O)c1ccccc1CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000896814265 638691594 /nfs/dbraw/zinc/69/15/94/638691594.db2.gz KWQFGHVIRPFPET-UHFFFAOYSA-N 0 3 323.389 2.267 20 10 DECDHN CN(C)c1ccc(CN2CCC([C@@H]3COC(=O)N3)CC2)cc1F ZINC000897026736 639137104 /nfs/dbraw/zinc/13/71/04/639137104.db2.gz MZICJXZNHZKVBE-HNNXBMFYSA-N 0 3 321.396 2.212 20 10 DECDHN C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)c2c1c(F)ccc2[O-] ZINC000756368982 639654631 /nfs/dbraw/zinc/65/46/31/639654631.db2.gz AIFLQPKETQWAHD-CKYFFXLPSA-N 0 3 313.394 2.104 20 10 DECDHN C[C@H]1C[C@H]([NH2+]CCCS(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000756535544 639670509 /nfs/dbraw/zinc/67/05/09/639670509.db2.gz QYNFVXAKZMTLTP-ONGXEEELSA-N 0 3 301.383 2.104 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]CCCNc2ncccn2)c1[O-] ZINC000761202094 640284368 /nfs/dbraw/zinc/28/43/68/640284368.db2.gz MFUBMYFMSWGWLD-UHFFFAOYSA-N 0 3 322.796 2.436 20 10 DECDHN C[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCC[NH2+]C1 ZINC000841034878 640884657 /nfs/dbraw/zinc/88/46/57/640884657.db2.gz XVSDZAVWCXWNAU-NXEZZACHSA-N 0 3 313.785 2.432 20 10 DECDHN CN(C[C@H]1CCCN1C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897999986 640989270 /nfs/dbraw/zinc/98/92/70/640989270.db2.gz JCYPGWMEYVIPLY-LLVKDONJSA-N 0 3 320.414 2.479 20 10 DECDHN COc1cccc(C[N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)c1 ZINC000768438623 641081153 /nfs/dbraw/zinc/08/11/53/641081153.db2.gz VYYWXDLDKQRBHG-QGZVFWFLSA-N 0 3 315.369 2.459 20 10 DECDHN COc1cccc(C[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)c1 ZINC000768438623 641081157 /nfs/dbraw/zinc/08/11/57/641081157.db2.gz VYYWXDLDKQRBHG-QGZVFWFLSA-N 0 3 315.369 2.459 20 10 DECDHN CCOc1ccc(C[NH+]2CCC(C3OCCO3)CC2)c([O-])c1 ZINC000769301762 641213284 /nfs/dbraw/zinc/21/32/84/641213284.db2.gz YMXAUUHGLAWRKO-UHFFFAOYSA-N 0 3 307.390 2.376 20 10 DECDHN Cc1cnc(CNC[C@@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000898451555 641663261 /nfs/dbraw/zinc/66/32/61/641663261.db2.gz ZMXINTRDGJMALZ-INIZCTEOSA-N 0 3 302.422 2.442 20 10 DECDHN CCOCCCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774484714 641908596 /nfs/dbraw/zinc/90/85/96/641908596.db2.gz PUKFOTWULMGVIO-LSDHHAIUSA-N 0 3 321.465 2.335 20 10 DECDHN CC[C@H](C)NC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775257058 642021971 /nfs/dbraw/zinc/02/19/71/642021971.db2.gz DZHJQGBLQTXWEN-LSDHHAIUSA-N 0 3 319.449 2.089 20 10 DECDHN COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000775997874 642121513 /nfs/dbraw/zinc/12/15/13/642121513.db2.gz DKVFAJOGXABCBT-NEPJUHHUSA-N 0 3 310.369 2.488 20 10 DECDHN C[C@H](NC(=O)N1CCCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000776239781 642148597 /nfs/dbraw/zinc/14/85/97/642148597.db2.gz VFNNPUQBBYVTMC-AWEZNQCLSA-N 0 3 304.438 2.161 20 10 DECDHN C[C@@H](O)CN(C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000776520622 642180395 /nfs/dbraw/zinc/18/03/95/642180395.db2.gz CVKMMYPTGCBQQD-CYBMUJFWSA-N 0 3 307.394 2.398 20 10 DECDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591164 642189327 /nfs/dbraw/zinc/18/93/27/642189327.db2.gz BYQMBEXDMKASNG-MRXNPFEDSA-N 0 3 302.330 2.466 20 10 DECDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591164 642189328 /nfs/dbraw/zinc/18/93/28/642189328.db2.gz BYQMBEXDMKASNG-MRXNPFEDSA-N 0 3 302.330 2.466 20 10 DECDHN CCOc1ccc(O)c(CN[C@@H]2CCN(C(C)(C)C)C2=O)c1 ZINC000842720043 650810578 /nfs/dbraw/zinc/81/05/78/650810578.db2.gz AQDHSQLETZODPF-CQSZACIVSA-N 0 3 306.406 2.280 20 10 DECDHN COc1cccc([O-])c1C[NH2+][C@H](CO)Cc1ccc(C)cc1 ZINC000786166221 643333657 /nfs/dbraw/zinc/33/36/57/643333657.db2.gz VLNBKGVSTWXPDF-HNNXBMFYSA-N 0 3 301.386 2.402 20 10 DECDHN CC(=O)c1cc(F)cc(CN2CCC[C@@H]3CC[C@]32C[NH3+])c1[O-] ZINC000903796071 643465835 /nfs/dbraw/zinc/46/58/35/643465835.db2.gz RYRJEPUCPZDXBO-DYVFJYSZSA-N 0 3 306.381 2.437 20 10 DECDHN COC(=O)[C@H]1CCN(Cc2cc(Cl)cc(OC)c2O)[C@@H]1C ZINC000787422091 643493426 /nfs/dbraw/zinc/49/34/26/643493426.db2.gz ZHLHVPXCTNIAON-SKDRFNHKSA-N 0 3 313.781 2.438 20 10 DECDHN COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])[C@@H]1C ZINC000787422091 643493434 /nfs/dbraw/zinc/49/34/34/643493434.db2.gz ZHLHVPXCTNIAON-SKDRFNHKSA-N 0 3 313.781 2.438 20 10 DECDHN COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])[C@@H]1C ZINC000787422091 643493438 /nfs/dbraw/zinc/49/34/38/643493438.db2.gz ZHLHVPXCTNIAON-SKDRFNHKSA-N 0 3 313.781 2.438 20 10 DECDHN COc1cc(CN2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c(O)cc1C ZINC000790385885 643846036 /nfs/dbraw/zinc/84/60/36/643846036.db2.gz FHAXYKHYOKQUGA-PMUMKWKESA-N 0 3 321.417 2.478 20 10 DECDHN COc1cc(CN2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c(O)cc1C ZINC000790385881 643846070 /nfs/dbraw/zinc/84/60/70/643846070.db2.gz FHAXYKHYOKQUGA-DEYYWGMASA-N 0 3 321.417 2.478 20 10 DECDHN COc1cccc([O-])c1C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000793181364 644202931 /nfs/dbraw/zinc/20/29/31/644202931.db2.gz DGAQXQAQTQBQKA-MRXNPFEDSA-N 0 3 317.389 2.070 20 10 DECDHN CON(C)C(=O)CCN(Cc1ccco1)Cc1ccccc1O ZINC000799133114 645131021 /nfs/dbraw/zinc/13/10/21/645131021.db2.gz BGCHDODMIQFRIQ-UHFFFAOYSA-N 0 3 318.373 2.397 20 10 DECDHN CCN(CC)CC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839919710 645302353 /nfs/dbraw/zinc/30/23/53/645302353.db2.gz SNYDGHOCTNDHIV-OAHLLOKOSA-N 0 3 305.466 2.450 20 10 DECDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c1[O-] ZINC000809770390 646280643 /nfs/dbraw/zinc/28/06/43/646280643.db2.gz XSCIWRJTFUICCZ-NSHDSACASA-N 0 3 317.838 2.268 20 10 DECDHN CCOc1ccc(CNCc2ccc(OC)nc2OC)c(O)c1 ZINC000810177031 646336027 /nfs/dbraw/zinc/33/60/27/646336027.db2.gz HQCLIHKCKCARGH-UHFFFAOYSA-N 0 3 318.373 2.493 20 10 DECDHN [O-]c1c(C[NH2+]CCCN2CCC(O)CC2)ccc2ccccc21 ZINC000816538049 647148958 /nfs/dbraw/zinc/14/89/58/647148958.db2.gz CBKIUWDODMLWEZ-UHFFFAOYSA-N 0 3 314.429 2.482 20 10 DECDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])[C@H]1n1cccn1 ZINC000816672094 647167123 /nfs/dbraw/zinc/16/71/23/647167123.db2.gz PKAVXMLJLOKRDF-NUEKZKHPSA-N 0 3 305.353 2.236 20 10 DECDHN CCCN1C[C@@H](C[NH2+]Cc2ccc(OCC)cc2[O-])CC1=O ZINC000817410741 647288162 /nfs/dbraw/zinc/28/81/62/647288162.db2.gz GZMSCYPQVKTOGO-CYBMUJFWSA-N 0 3 306.406 2.139 20 10 DECDHN C[C@](CO)(NCc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000237635299 648397357 /nfs/dbraw/zinc/39/73/57/648397357.db2.gz UWNPZAZQRMTZCX-QGZVFWFLSA-N 0 3 301.342 2.118 20 10 DECDHN CCOc1ccc(C[N@H+](CCO)C2CCSCC2)c([O-])c1 ZINC000825129800 648708282 /nfs/dbraw/zinc/70/82/82/648708282.db2.gz FQRZFXJPKSLUPT-UHFFFAOYSA-N 0 3 311.447 2.481 20 10 DECDHN CCOc1ccc(C[N@@H+](CCO)C2CCSCC2)c([O-])c1 ZINC000825129800 648708284 /nfs/dbraw/zinc/70/82/84/648708284.db2.gz FQRZFXJPKSLUPT-UHFFFAOYSA-N 0 3 311.447 2.481 20 10 DECDHN C[N@@H+]1C[C@H]2CCN(Cc3ccc(Br)cc3[O-])[C@H]2C1 ZINC000825967134 648832425 /nfs/dbraw/zinc/83/24/25/648832425.db2.gz FHUAFARIBVTKSL-MFKMUULPSA-N 0 3 311.223 2.291 20 10 DECDHN C[N@H+]1C[C@H]2CCN(Cc3ccc(Br)cc3[O-])[C@H]2C1 ZINC000825967134 648832432 /nfs/dbraw/zinc/83/24/32/648832432.db2.gz FHUAFARIBVTKSL-MFKMUULPSA-N 0 3 311.223 2.291 20 10 DECDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)c1[O-] ZINC000826846077 648935569 /nfs/dbraw/zinc/93/55/69/648935569.db2.gz PEBNHHZVEASSFE-NSHDSACASA-N 0 3 322.796 2.168 20 10 DECDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](Cn3ccnn3)C2)c1[O-] ZINC000826846077 648935572 /nfs/dbraw/zinc/93/55/72/648935572.db2.gz PEBNHHZVEASSFE-NSHDSACASA-N 0 3 322.796 2.168 20 10 DECDHN Cc1cc(CN2CCN(CCO)CC2)ccc1N1CCCCC1 ZINC000827353683 649021192 /nfs/dbraw/zinc/02/11/92/649021192.db2.gz HFKVHVQOYZVZDC-UHFFFAOYSA-N 0 3 317.477 2.095 20 10 DECDHN CCOc1ccc(C[N@@H+]2CC[C@H](C(=O)OC)[C@H](C)C2)c([O-])c1 ZINC000827544473 649048376 /nfs/dbraw/zinc/04/83/76/649048376.db2.gz BRAGBFIGETZYMZ-DOMZBBRYSA-N 0 3 307.390 2.422 20 10 DECDHN CCOc1ccc(C[N@H+]2CC[C@H](C(=O)OC)[C@H](C)C2)c([O-])c1 ZINC000827544473 649048379 /nfs/dbraw/zinc/04/83/79/649048379.db2.gz BRAGBFIGETZYMZ-DOMZBBRYSA-N 0 3 307.390 2.422 20 10 DECDHN Cc1cc(O)c(CN2CCN(c3nccn3C)CC2)cc1Cl ZINC000827885323 649099139 /nfs/dbraw/zinc/09/91/39/649099139.db2.gz WZRFSOUZBLFDAN-UHFFFAOYSA-N 0 3 320.824 2.410 20 10 DECDHN CCN(C)c1ccc(CN2CC[C@@H](OC(=O)N(C)C)C2)cc1 ZINC000830509291 649454412 /nfs/dbraw/zinc/45/44/12/649454412.db2.gz GNULLLGWZBYFHJ-MRXNPFEDSA-N 0 3 305.422 2.415 20 10 DECDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](C)O)c1[O-] ZINC000848514714 651465559 /nfs/dbraw/zinc/46/55/59/651465559.db2.gz PILKFQVGCTTZPT-HTQZYQBOSA-N 0 3 304.184 2.195 20 10 DECDHN Cc1ncncc1[C@H](C)NCc1ccc(N2CCOCC2)cc1 ZINC000848523996 651467098 /nfs/dbraw/zinc/46/70/98/651467098.db2.gz PKPKZOMPVHVHKZ-AWEZNQCLSA-N 0 3 312.417 2.472 20 10 DECDHN CN(C)c1cc(F)c(CNCCC2(O)CCOCC2)cc1F ZINC000858162636 652269483 /nfs/dbraw/zinc/26/94/83/652269483.db2.gz IXPHYOBDUXLPLM-UHFFFAOYSA-N 0 3 314.376 2.052 20 10 DECDHN Cc1cc(CN2CCC(O)(CO)CC2)ccc1N1CCCCC1 ZINC000852500599 652411441 /nfs/dbraw/zinc/41/14/41/652411441.db2.gz OYBAYHMLTLPCMU-UHFFFAOYSA-N 0 3 318.461 2.305 20 10 DECDHN COc1cc(Br)cc(C[NH2+]CCOCCF)c1[O-] ZINC000853091241 652499905 /nfs/dbraw/zinc/49/99/05/652499905.db2.gz BQGZLVNVGRWVJE-UHFFFAOYSA-N 0 3 322.174 2.239 20 10 DECDHN [O-]c1cc2c(cc1C[NH+]1CCC(c3ccon3)CC1)[C@@H](O)CO2 ZINC000853591151 652574923 /nfs/dbraw/zinc/57/49/23/652574923.db2.gz XJUFRTVNUHJNOM-INIZCTEOSA-N 0 3 316.357 2.186 20 10 DECDHN COc1cccc([C@H](C)N[C@@H]2CCN(C3CCC3)C2=O)c1O ZINC000858603254 685567009 /nfs/dbraw/zinc/56/70/09/685567009.db2.gz VGZLKCDSLLWAHG-SMDDNHRTSA-N 0 3 304.390 2.205 20 10 DECDHN COc1cccc(CNC(=O)c2cccc(CN(C)C)c2)c1O ZINC000156156801 684286392 /nfs/dbraw/zinc/28/63/92/684286392.db2.gz ATIAQJFBKHHMOE-UHFFFAOYSA-N 0 3 314.385 2.392 20 10 DECDHN CC(C)[C@@H](C(=O)NCc1ccc2cccnc2c1O)N(C)C ZINC000862027062 686225539 /nfs/dbraw/zinc/22/55/39/686225539.db2.gz IHWSESNDWBXGBU-HNNXBMFYSA-N 0 3 301.390 2.143 20 10 DECDHN COC(=O)[C@@]1(OC)CCN(C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000862475813 686307339 /nfs/dbraw/zinc/30/73/39/686307339.db2.gz YCAZKSIKERRUFB-OOFWQKGWSA-N 0 3 318.417 2.030 20 10 DECDHN COc1ccccc1C[C@](C)(CO)[NH2+]Cc1ccccc1[O-] ZINC000865716274 687310998 /nfs/dbraw/zinc/31/09/98/687310998.db2.gz PHFKWUGTQBNHFR-GOSISDBHSA-N 0 3 301.386 2.484 20 10 DECDHN CCc1cccc(CNC[C@H](n2cncn2)C(F)(F)F)c1O ZINC000877672801 690185740 /nfs/dbraw/zinc/18/57/40/690185740.db2.gz AVJMVJFTZALOSZ-LBPRGKRZSA-N 0 3 314.311 2.439 20 10 DECDHN Cc1cccc(CNCc2n[nH]c(C3CCOCC3)n2)c1O ZINC000877677767 690188013 /nfs/dbraw/zinc/18/80/13/690188013.db2.gz ZXZVPMDIXBBFDB-UHFFFAOYSA-N 0 3 302.378 2.003 20 10 DECDHN CC[C@]1(O)CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000877691520 690192974 /nfs/dbraw/zinc/19/29/74/690192974.db2.gz PKEISWVSCIBENO-SFHVURJKSA-N 0 3 322.424 2.399 20 10 DECDHN Cc1cc(CN2CCC[C@@H]3CCNC(=O)[C@H]32)ccc1N(C)C ZINC000880524031 690917536 /nfs/dbraw/zinc/91/75/36/690917536.db2.gz OIRQFFCHCOGQOF-WBVHZDCISA-N 0 3 301.434 2.162 20 10 DECDHN Cc1cc(CN2CCC[C@H]3CCNC(=O)[C@H]32)ccc1N(C)C ZINC000880524030 690917616 /nfs/dbraw/zinc/91/76/16/690917616.db2.gz OIRQFFCHCOGQOF-RDJZCZTQSA-N 0 3 301.434 2.162 20 10 DECDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCC2(CCOCC2)CO1 ZINC000883256224 691466467 /nfs/dbraw/zinc/46/64/67/691466467.db2.gz QULPQMYRKVHVCL-CQSZACIVSA-N 0 3 321.417 2.466 20 10 DECDHN C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)c2c1c(F)ccc2[O-] ZINC000883374659 691492215 /nfs/dbraw/zinc/49/22/15/691492215.db2.gz KURDTOAYGIDGKA-DNRKLUKYSA-N 0 3 313.394 2.245 20 10 DECDHN COC1(OC)CC[C@@H]1N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000924794465 693186277 /nfs/dbraw/zinc/18/62/77/693186277.db2.gz FLTJLAXGGBHRSJ-PBHICJAKSA-N 0 3 320.433 2.325 20 10 DECDHN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccnnc1 ZINC000926726288 693500265 /nfs/dbraw/zinc/50/02/65/693500265.db2.gz ZSSCXLZRGZVDFS-AWEZNQCLSA-N 0 3 312.417 2.289 20 10 DECDHN CC[C@@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1ccc(C)cc1[O-] ZINC000927147579 693561046 /nfs/dbraw/zinc/56/10/46/693561046.db2.gz SVCKAWVTDKZTKF-TZMCWYRMSA-N 0 3 300.406 2.427 20 10 DECDHN CC(C)C(=O)NCCCNCc1cc(F)c(N(C)C)cc1F ZINC001348267581 1151139915 /nfs/dbraw/zinc/13/99/15/1151139915.db2.gz GLGIUTPZKSQXOE-UHFFFAOYSA-N 0 3 313.392 2.283 20 10 DECDHN CCCOC1CN(Cc2ccc(N3CCN(CC)CC3)cc2)C1 ZINC001140303877 777044186 /nfs/dbraw/zinc/04/41/86/777044186.db2.gz CKCQSAUQRGBPFI-UHFFFAOYSA-N 0 3 317.477 2.439 20 10 DECDHN CCOc1cccc(CN2CCC[C@@H](NC(=O)CC)C2)c1O ZINC000092705420 778814925 /nfs/dbraw/zinc/81/49/25/778814925.db2.gz DYKQEBVYGTVEGK-CQSZACIVSA-N 0 3 306.406 2.282 20 10 DECDHN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+](C)CCCN(C)C ZINC001139126779 787704569 /nfs/dbraw/zinc/70/45/69/787704569.db2.gz PUYUKAZQALAQNY-UHFFFAOYSA-N 0 3 304.390 2.191 20 10 DECDHN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+](C)CCCN(C)C ZINC001139126779 787704574 /nfs/dbraw/zinc/70/45/74/787704574.db2.gz PUYUKAZQALAQNY-UHFFFAOYSA-N 0 3 304.390 2.191 20 10 DECDHN CCN1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[C@H]1C ZINC001072103188 790053160 /nfs/dbraw/zinc/05/31/60/790053160.db2.gz VIBFMKUMSCGWOQ-BXUZGUMPSA-N 0 3 317.393 2.452 20 10 DECDHN CCn1ccc(CNC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC001179751990 795171748 /nfs/dbraw/zinc/17/17/48/795171748.db2.gz RTKWIMMPFQMFFA-SFHVURJKSA-N 0 3 315.465 2.362 20 10 DECDHN Cc1cc(Br)cc(C[NH2+][C@@H](C)C[S@@](C)=O)c1[O-] ZINC001180305646 795271157 /nfs/dbraw/zinc/27/11/57/795271157.db2.gz NGLPHKXOCKUBAP-HUTHGQBESA-N 0 3 320.252 2.320 20 10 DECDHN Nc1ccc(CN2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)cc1 ZINC001120372055 795449136 /nfs/dbraw/zinc/44/91/36/795449136.db2.gz YCKFQRVYGCUYLJ-UXHICEINSA-N 0 3 323.440 2.354 20 10 DECDHN Cc1ccc(C)c(CN2CC[C@@H](N3CCOCC3)[C@@H](F)C2)c1O ZINC001140185663 796488355 /nfs/dbraw/zinc/48/83/55/796488355.db2.gz LEOFLPDUHPPDTD-DLBZAZTESA-N 0 3 322.424 2.254 20 10 DECDHN CCN1CCN(Cc2ccc(N3CCOCC3)cc2F)[C@H](C)C1 ZINC001140667203 796552968 /nfs/dbraw/zinc/55/29/68/796552968.db2.gz KVRULVLHSVGHMH-OAHLLOKOSA-N 0 3 321.440 2.188 20 10 DECDHN Cc1ccnc(N2CCN(Cc3ccc(O)c(C)c3O)CC2)c1 ZINC001140749235 796567594 /nfs/dbraw/zinc/56/75/94/796567594.db2.gz SHIXIOLCSLIQEO-UHFFFAOYSA-N 0 3 313.401 2.432 20 10 DECDHN Oc1ccc(O)c(CN2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)c1 ZINC001141155932 796640878 /nfs/dbraw/zinc/64/08/78/796640878.db2.gz AZOHPEAWDMCTHX-CHWSQXEVSA-N 0 3 323.286 2.325 20 10 DECDHN Cc1ccnc(O[C@@H]2CCCN(Cc3cc(O)ccc3O)C2)n1 ZINC001141162825 796642726 /nfs/dbraw/zinc/64/27/26/796642726.db2.gz GNFYRYAUDSOMGA-OAHLLOKOSA-N 0 3 315.373 2.240 20 10 DECDHN CC(=O)N(C(C)C)C1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141162036 796643150 /nfs/dbraw/zinc/64/31/50/796643150.db2.gz JQXLRMCJMHVXCA-UHFFFAOYSA-N 0 3 306.406 2.319 20 10 DECDHN Cc1cc(OC2CCN(Cc3cc(O)ccc3O)CC2)ncn1 ZINC001141163243 796643632 /nfs/dbraw/zinc/64/36/32/796643632.db2.gz WXAVBMKIMJOYIH-UHFFFAOYSA-N 0 3 315.373 2.240 20 10 DECDHN Cc1cncnc1O[C@@H]1CCCN(Cc2cc(O)ccc2O)C1 ZINC001141163172 796643724 /nfs/dbraw/zinc/64/37/24/796643724.db2.gz SOVIQEYIWHLBQW-OAHLLOKOSA-N 0 3 315.373 2.240 20 10 DECDHN O=C1c2ccccc2CN1[C@H]1CCN(Cc2cc(O)ccc2O)C1 ZINC001141163192 796643766 /nfs/dbraw/zinc/64/37/66/796643766.db2.gz UORWNVARUNGSCA-HNNXBMFYSA-N 0 3 324.380 2.328 20 10 DECDHN COc1ccc(C[NH2+]CCNC(=O)c2ccccc2[O-])cc1C ZINC000237142220 796967458 /nfs/dbraw/zinc/96/74/58/796967458.db2.gz SAMPZTYMWIMFCF-UHFFFAOYSA-N 0 3 314.385 2.229 20 10 DECDHN [O-]c1ccccc1C[N@H+]1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001203552371 800079842 /nfs/dbraw/zinc/07/98/42/800079842.db2.gz LIKVJJMFHCPTRO-GASCZTMLSA-N 0 3 315.442 2.413 20 10 DECDHN [O-]c1ccccc1C[N@@H+]1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001203552371 800079848 /nfs/dbraw/zinc/07/98/48/800079848.db2.gz LIKVJJMFHCPTRO-GASCZTMLSA-N 0 3 315.442 2.413 20 10 DECDHN CCOC(=O)[C@H]1[C@@H]2CN(Cc3cccc(OCC)c3O)C[C@@H]21 ZINC001203615306 800090085 /nfs/dbraw/zinc/09/00/85/800090085.db2.gz PZDDYEXZYIDATO-NHAGDIPZSA-N 0 3 305.374 2.032 20 10 DECDHN COc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)N(C)C)CC2)c([O-])c1 ZINC001203630943 800095916 /nfs/dbraw/zinc/09/59/16/800095916.db2.gz YDHLALVOZUCYBK-HNNXBMFYSA-N 0 3 318.417 2.091 20 10 DECDHN CN(C)c1ccc(CN2CCN(CCC(C)(C)O)CC2)cc1 ZINC001203937581 800148987 /nfs/dbraw/zinc/14/89/87/800148987.db2.gz YKZYIGYWPOSHRJ-UHFFFAOYSA-N 0 3 305.466 2.031 20 10 DECDHN CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204274580 800198415 /nfs/dbraw/zinc/19/84/15/800198415.db2.gz PQYPRGYQBCBMPD-DOTOQJQBSA-N 0 3 307.390 2.258 20 10 DECDHN CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204274580 800198417 /nfs/dbraw/zinc/19/84/17/800198417.db2.gz PQYPRGYQBCBMPD-DOTOQJQBSA-N 0 3 307.390 2.258 20 10 DECDHN COc1cccc(O[C@H]2CC[N@H+](Cc3ccc(O)cc3[O-])C2)n1 ZINC001204278205 800200812 /nfs/dbraw/zinc/20/08/12/800200812.db2.gz YDMNUNBWQYPKOW-AWEZNQCLSA-N 0 3 316.357 2.155 20 10 DECDHN COc1cccc(O[C@H]2CC[N@@H+](Cc3ccc(O)cc3[O-])C2)n1 ZINC001204278205 800200818 /nfs/dbraw/zinc/20/08/18/800200818.db2.gz YDMNUNBWQYPKOW-AWEZNQCLSA-N 0 3 316.357 2.155 20 10 DECDHN [NH3+][C@H]1CN(Cc2c([O-])cccc2Br)CC(F)(F)C1 ZINC001206131633 800477710 /nfs/dbraw/zinc/47/77/10/800477710.db2.gz HDARTXWOJHJESB-MRVPVSSYSA-N 0 3 321.165 2.323 20 10 DECDHN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCN2C(C)C)c1 ZINC000934941401 800505995 /nfs/dbraw/zinc/50/59/95/800505995.db2.gz XJPPJKVWKXJGAW-IUODEOHRSA-N 0 3 306.406 2.451 20 10 DECDHN COc1cc(CN2CCC[C@H](c3noc(C)n3)C2)c(O)cc1O ZINC001231633995 801700363 /nfs/dbraw/zinc/70/03/63/801700363.db2.gz FPNGMAZJKZONRM-NSHDSACASA-N 0 3 319.361 2.177 20 10 DECDHN Oc1cc(O)c(CN2CCC3(CC(F)(F)CO3)CC2)cc1O ZINC001233483355 802127695 /nfs/dbraw/zinc/12/76/95/802127695.db2.gz WYNGRJBUUHMJMO-UHFFFAOYSA-N 0 3 315.316 2.194 20 10 DECDHN Oc1cc(O)c(CN2CC[C@H](N3CCCCC3)[C@@H](F)C2)cc1O ZINC001233487773 802129191 /nfs/dbraw/zinc/12/91/91/802129191.db2.gz RMMWDYXSAXQJLV-KBPBESRZSA-N 0 3 324.396 2.202 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@H+]3CCc4nncn4CC3)c2c1 ZINC001234525776 802403294 /nfs/dbraw/zinc/40/32/94/802403294.db2.gz JTLAUAHFNMWPCW-UHFFFAOYSA-N 0 3 324.384 2.204 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCc4nncn4CC3)c2c1 ZINC001234525776 802403298 /nfs/dbraw/zinc/40/32/98/802403298.db2.gz JTLAUAHFNMWPCW-UHFFFAOYSA-N 0 3 324.384 2.204 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC(=O)N(C)CC3)c2c1 ZINC001234552650 802413056 /nfs/dbraw/zinc/41/30/56/802413056.db2.gz DORIWSAYCJQSRY-UHFFFAOYSA-N 0 3 314.385 2.218 20 10 DECDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC(=O)N(C)CC3)c2c1 ZINC001234552650 802413062 /nfs/dbraw/zinc/41/30/62/802413062.db2.gz DORIWSAYCJQSRY-UHFFFAOYSA-N 0 3 314.385 2.218 20 10 DECDHN COC(=O)c1cc(C2CCN(Cc3ccc(N)cc3)CC2)no1 ZINC001335287715 1150393126 /nfs/dbraw/zinc/39/31/26/1150393126.db2.gz ACBJGWSZTHDWLZ-UHFFFAOYSA-N 0 3 315.373 2.423 20 10 DECDHN CN(CCNC(=O)NCc1ccc(N)cc1)Cc1ccccc1 ZINC001346212672 1150952039 /nfs/dbraw/zinc/95/20/39/1150952039.db2.gz DGFMIAGHXSIZOW-UHFFFAOYSA-N 0 3 312.417 2.200 20 10 DECDHN Cc1c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc(CN)n1C ZINC001579524199 1067359578 /nfs/dbraw/zinc/35/95/78/1067359578.db2.gz JEUKSKQKUVDBJD-LBPRGKRZSA-N 0 3 314.433 2.349 20 10 DECDHN Cc1cc(N(C)C)ccc1CNCc1c(C)c(C)n[nH]c1=O ZINC001327373876 1148541154 /nfs/dbraw/zinc/54/11/54/1148541154.db2.gz BGDBQUFMSLPDQV-UHFFFAOYSA-N 0 3 300.406 2.463 20 10 DECDHN C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1O ZINC001560075088 1075132362 /nfs/dbraw/zinc/13/23/62/1075132362.db2.gz RWOVNONASJOBII-SNVBAGLBSA-N 0 3 315.329 2.250 20 10 DECDHN Cc1cn(C)nc1CNC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001663422244 1080743943 /nfs/dbraw/zinc/74/39/43/1080743943.db2.gz HCVRMGKHGMGHHK-GOSISDBHSA-N 0 3 315.465 2.187 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]C2CCN(OC)CC2)c1[O-] ZINC000692134306 1081292104 /nfs/dbraw/zinc/29/21/04/1081292104.db2.gz NIQTXFDVBMMTPK-UHFFFAOYSA-N 0 3 300.786 2.170 20 10 DECDHN Cc1ccc(C[N@@H+]2CC[C@@]3(CCN(CC(F)F)C3=O)C2)c([O-])c1 ZINC001272765960 1083978547 /nfs/dbraw/zinc/97/85/47/1083978547.db2.gz LWLKAJMTDVXPQK-QGZVFWFLSA-N 0 3 324.371 2.390 20 10 DECDHN Cc1ccc(C[N@H+]2CC[C@@]3(CCN(CC(F)F)C3=O)C2)c([O-])c1 ZINC001272765960 1083978554 /nfs/dbraw/zinc/97/85/54/1083978554.db2.gz LWLKAJMTDVXPQK-QGZVFWFLSA-N 0 3 324.371 2.390 20 10 DECDHN CCN1CCN(c2ccc(O[C@@H]3CCOC[C@@H]3F)cc2)CC1 ZINC001234661612 1084192056 /nfs/dbraw/zinc/19/20/56/1084192056.db2.gz VVDYVOJAVKZQCJ-DLBZAZTESA-N 0 3 308.397 2.334 20 10 DECDHN [O-]c1c(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)cccc1-c1ccccc1 ZINC001235002349 1084268339 /nfs/dbraw/zinc/26/83/39/1084268339.db2.gz PQHFNJMOJJZOLS-WMZOPIPTSA-N 0 3 313.397 2.234 20 10 DECDHN [O-]c1c(C[N@H+]2CC[C@H](O)[C@H](CO)C2)cccc1-c1ccccc1 ZINC001235002349 1084268347 /nfs/dbraw/zinc/26/83/47/1084268347.db2.gz PQHFNJMOJJZOLS-WMZOPIPTSA-N 0 3 313.397 2.234 20 10 DECDHN O=C([O-])c1ccc([O-])c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1 ZINC001235238644 1084356993 /nfs/dbraw/zinc/35/69/93/1084356993.db2.gz GHKTYOITFDNGLI-MRXNPFEDSA-N 0 3 318.417 2.445 20 10 DECDHN [O-]c1cccc(Br)c1CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001236094968 1084611866 /nfs/dbraw/zinc/61/18/66/1084611866.db2.gz JLMYSSUVZVPFJD-PHIMTYICSA-N 0 3 311.223 2.481 20 10 DECDHN Cc1cc(C)c(CN2CC3(CN(Cc4cn[nH]c4)C3)C2)c(O)c1 ZINC001276366081 1085961959 /nfs/dbraw/zinc/96/19/59/1085961959.db2.gz YVSYZYKGLACYJP-UHFFFAOYSA-N 0 3 312.417 2.050 20 10 DECDHN Cc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3C(=O)NC(C)C)c([O-])c1 ZINC001276168823 1091628308 /nfs/dbraw/zinc/62/83/08/1091628308.db2.gz ISZFVOQMFUXIST-HOTGVXAUSA-N 0 3 317.433 2.467 20 10 DECDHN Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)NC(C)C)c([O-])c1 ZINC001276168823 1091628315 /nfs/dbraw/zinc/62/83/15/1091628315.db2.gz ISZFVOQMFUXIST-HOTGVXAUSA-N 0 3 317.433 2.467 20 10 DECDHN C[N@@H+]1CCCC2(CC[NH+](Cc3ccc(C(=O)[O-])cc3[O-])CC2)C1 ZINC001276009415 1092502892 /nfs/dbraw/zinc/50/28/92/1092502892.db2.gz SCHYETJXJZKMAJ-UHFFFAOYSA-N 0 3 318.417 2.398 20 10 DECDHN C[N@H+]1CCCC2(CC[NH+](Cc3ccc(C(=O)[O-])cc3[O-])CC2)C1 ZINC001276009415 1092502905 /nfs/dbraw/zinc/50/29/05/1092502905.db2.gz SCHYETJXJZKMAJ-UHFFFAOYSA-N 0 3 318.417 2.398 20 10 DECDHN C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(C(=O)[O-])cc3[O-])(C1)CCC2 ZINC001276009603 1092504298 /nfs/dbraw/zinc/50/42/98/1092504298.db2.gz ZXCHKALXOKPQBO-DLBZAZTESA-N 0 3 304.390 2.245 20 10 DECDHN [O-]c1cc(Cl)c(Cl)cc1CN1CC[NH+](CCCO)CC1 ZINC001236794334 1138430491 /nfs/dbraw/zinc/43/04/91/1138430491.db2.gz RMSNEBSLRPGBQE-UHFFFAOYSA-N 0 3 319.232 2.199 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CCCC[C@]23CC(=O)N(C)C3)c([O-])c1 ZINC001236810344 1138435393 /nfs/dbraw/zinc/43/53/93/1138435393.db2.gz WKQQUANIOXDBHH-GOSISDBHSA-N 0 3 318.417 2.296 20 10 DECDHN COc1cc(C)c(C[N@H+]2CCCC[C@]23CC(=O)N(C)C3)c([O-])c1 ZINC001236810344 1138435408 /nfs/dbraw/zinc/43/54/08/1138435408.db2.gz WKQQUANIOXDBHH-GOSISDBHSA-N 0 3 318.417 2.296 20 10 DECDHN COC(=O)CC[C@@H]1CC[N@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001236810871 1138436352 /nfs/dbraw/zinc/43/63/52/1138436352.db2.gz KOQOMOUKZHLOOF-CYBMUJFWSA-N 0 3 307.390 2.484 20 10 DECDHN COC(=O)CC[C@@H]1CC[N@@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001236810871 1138436359 /nfs/dbraw/zinc/43/63/59/1138436359.db2.gz KOQOMOUKZHLOOF-CYBMUJFWSA-N 0 3 307.390 2.484 20 10 DECDHN COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001236812031 1138437333 /nfs/dbraw/zinc/43/73/33/1138437333.db2.gz YFCCNNOOVVVYOD-YPMHNXCESA-N 0 3 307.390 2.340 20 10 DECDHN COC(=O)[C@H]1C[C@@H](C)C[N@@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001236812031 1138437346 /nfs/dbraw/zinc/43/73/46/1138437346.db2.gz YFCCNNOOVVVYOD-YPMHNXCESA-N 0 3 307.390 2.340 20 10 DECDHN CN(C)C1(C)CN(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236928012 1138458505 /nfs/dbraw/zinc/45/85/05/1138458505.db2.gz UAUVBZNATKGBHN-UHFFFAOYSA-N 0 3 323.868 2.313 20 10 DECDHN CN(Cc1ccc(N2CCN(C)CC2)cc1F)[C@H]1CCCOC1 ZINC001236947298 1138463398 /nfs/dbraw/zinc/46/33/98/1138463398.db2.gz QDJYZBRYIJKWAC-KRWDZBQOSA-N 0 3 321.440 2.188 20 10 DECDHN CN1CCN(Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001237051234 1138488807 /nfs/dbraw/zinc/48/88/07/1138488807.db2.gz IXIDADZMAXXRRS-UHFFFAOYSA-N 0 3 304.312 2.081 20 10 DECDHN [O-]c1cccc(OC(F)(F)F)c1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001237115678 1138507080 /nfs/dbraw/zinc/50/70/80/1138507080.db2.gz HJIBKOKXIUDBTD-AOOOYVTPSA-N 0 3 303.280 2.369 20 10 DECDHN [O-]c1cccc(OC(F)(F)F)c1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001237115678 1138507085 /nfs/dbraw/zinc/50/70/85/1138507085.db2.gz HJIBKOKXIUDBTD-AOOOYVTPSA-N 0 3 303.280 2.369 20 10 DECDHN CN(Cc1ccc(N2CCS(=O)(=O)CC2)cc1)CC1CCC1 ZINC001237208440 1138531633 /nfs/dbraw/zinc/53/16/33/1138531633.db2.gz BTGUPJGYAZCBAN-UHFFFAOYSA-N 0 3 322.474 2.153 20 10 DECDHN CC(=O)NC1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237940023 1138811545 /nfs/dbraw/zinc/81/15/45/1138811545.db2.gz AGCKPPLIVKLLIE-UHFFFAOYSA-N 0 3 300.761 2.285 20 10 DECDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c([O-])c1 ZINC001249171490 1141856405 /nfs/dbraw/zinc/85/64/05/1141856405.db2.gz CMGONZLMXHFXFM-DOTOQJQBSA-N 0 3 319.401 2.109 20 10 DECDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c([O-])c1 ZINC001249171490 1141856410 /nfs/dbraw/zinc/85/64/10/1141856410.db2.gz CMGONZLMXHFXFM-DOTOQJQBSA-N 0 3 319.401 2.109 20 10 DECDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cccc(O)c1[O-])C2 ZINC001254580292 1143265215 /nfs/dbraw/zinc/26/52/15/1143265215.db2.gz DKBYSVIPRZESKN-ZDUSSCGKSA-N 0 3 300.314 2.263 20 10 DECDHN O=C(Cc1cccc2c1CC[NH2+]C2)NCc1c([O-])cccc1F ZINC001341011769 1143522887 /nfs/dbraw/zinc/52/28/87/1143522887.db2.gz NOXAZADXHHQLJU-UHFFFAOYSA-N 0 3 314.360 2.036 20 10 DECDHN CC[NH+](CC)CC[C@@H](C)NC(=O)NCc1c([O-])cccc1F ZINC001263793421 1144395110 /nfs/dbraw/zinc/39/51/10/1144395110.db2.gz TWSUJHJBOHAECV-GFCCVEGCSA-N 0 3 311.401 2.451 20 10 DECDHN COc1cc(C)c(CN2CCN(CCOC(C)C)CC2)c(O)c1 ZINC001308611987 1147480549 /nfs/dbraw/zinc/48/05/49/1147480549.db2.gz UUFXGPQPIKDQTR-UHFFFAOYSA-N 0 3 322.449 2.252 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c([O-])c1 ZINC001308613583 1147481496 /nfs/dbraw/zinc/48/14/96/1147481496.db2.gz LOOOQLUBBQSPRS-CYBMUJFWSA-N 0 3 306.406 2.187 20 10 DECDHN COc1cc(C)c(C[N@H+]2CCC[C@H](CCC(N)=O)C2)c([O-])c1 ZINC001308613583 1147481503 /nfs/dbraw/zinc/48/15/03/1147481503.db2.gz LOOOQLUBBQSPRS-CYBMUJFWSA-N 0 3 306.406 2.187 20 10 DECDHN COC(=O)N1CCC(C[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000834798436 649848039 /nfs/dbraw/zinc/84/80/39/649848039.db2.gz FOWQOEZAVKUTAM-AWEZNQCLSA-N 0 3 304.390 2.448 20 10 DECDHN CN(C)c1ccc(CNC(=O)N2CC[C@@H]3CC[C@H](C2)N3C)cc1 ZINC000072930035 191251599 /nfs/dbraw/zinc/25/15/99/191251599.db2.gz FIEHGHFSBINPTG-DLBZAZTESA-N 0 3 316.449 2.131 20 10 DECDHN CCCOc1ccc(CN2CCN([C@@H](CC)CO)CC2)c(O)c1 ZINC000093740231 355686139 /nfs/dbraw/zinc/68/61/39/355686139.db2.gz WSCXMYGLOHJIFA-INIZCTEOSA-N 0 3 322.449 2.070 20 10 DECDHN COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1cccc(OC)c1[O-])C2 ZINC000378634889 533638382 /nfs/dbraw/zinc/63/83/82/533638382.db2.gz SFVBUCZXGFXJRK-GUYCJALGSA-N 0 3 305.374 2.176 20 10 DECDHN COC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1cccc(OC)c1[O-])C2 ZINC000378634889 533638390 /nfs/dbraw/zinc/63/83/90/533638390.db2.gz SFVBUCZXGFXJRK-GUYCJALGSA-N 0 3 305.374 2.176 20 10 DECDHN O=C(NCc1ccc(O)c(O)c1)[C@H]1CCCN1C1CCCC1 ZINC000272298008 130016934 /nfs/dbraw/zinc/01/69/34/130016934.db2.gz IERQRBIYZRYQRZ-CQSZACIVSA-N 0 3 304.390 2.121 20 10 DECDHN COc1cccc(C[NH2+]C[C@@H](O)CCc2ccccc2)c1[O-] ZINC000273174755 130094728 /nfs/dbraw/zinc/09/47/28/130094728.db2.gz WTJYYWLZXZYPBE-INIZCTEOSA-N 0 3 301.386 2.484 20 10 DECDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2=CCN(C)CC2)c1 ZINC000273504079 130129719 /nfs/dbraw/zinc/12/97/19/130129719.db2.gz QTDBLTKUXNSPEN-GFCCVEGCSA-N 0 3 304.390 2.091 20 10 DECDHN CCOc1cccc(C[NH2+][C@H]2CCO[C@@H]2c2nccn2C)c1[O-] ZINC000275715145 130369333 /nfs/dbraw/zinc/36/93/33/130369333.db2.gz YOOJROIFSUMALV-BBRMVZONSA-N 0 3 317.389 2.144 20 10 DECDHN Cc1cc(C)c([C@H](C)[NH2+]CC2(OCCO)CCOCC2)c([O-])c1 ZINC000285407187 131164978 /nfs/dbraw/zinc/16/49/78/131164978.db2.gz XMQZZHGPAKSATD-HNNXBMFYSA-N 0 3 323.433 2.218 20 10 DECDHN O=C(N1CCCC1)N1CCC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000285420328 131166773 /nfs/dbraw/zinc/16/67/73/131166773.db2.gz GPLQKLAROFSPNL-OAHLLOKOSA-N 0 3 303.406 2.162 20 10 DECDHN CCOc1cccc(CN[C@H]2COc3ccccc3[C@@H]2O)c1O ZINC000288427561 131325391 /nfs/dbraw/zinc/32/53/91/131325391.db2.gz BMRIVGQDBPDPHO-KSSFIOAISA-N 0 3 315.369 2.375 20 10 DECDHN CCOc1cccc(C[NH2+][C@H]2COc3ccccc3[C@@H]2O)c1[O-] ZINC000288427561 131325393 /nfs/dbraw/zinc/32/53/93/131325393.db2.gz BMRIVGQDBPDPHO-KSSFIOAISA-N 0 3 315.369 2.375 20 10 DECDHN C[C@@H](C(=O)NCCc1ccc(O)c(O)c1)N1[C@H](C)CC[C@H]1C ZINC000122392591 402076553 /nfs/dbraw/zinc/07/65/53/402076553.db2.gz LIVHKYIIQBXOFA-UPJWGTAASA-N 0 3 306.406 2.018 20 10 DECDHN CC(=O)c1cc(F)cc(CN2CC[C@H]([NH+]3CCCC3)C2)c1[O-] ZINC000102827312 402172785 /nfs/dbraw/zinc/17/27/85/402172785.db2.gz KCGXGZYUXOJSIB-HNNXBMFYSA-N 0 3 306.381 2.404 20 10 DECDHN COc1cc(Cl)cc(CN2CCC(CC(N)=O)CC2)c1O ZINC000184680425 402290998 /nfs/dbraw/zinc/29/09/98/402290998.db2.gz LUVGHXUYBRBLRW-UHFFFAOYSA-N 0 3 312.797 2.142 20 10 DECDHN C[C@@H]([NH2+]C[C@H](C)CN1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000185343844 402345443 /nfs/dbraw/zinc/34/54/43/402345443.db2.gz YJCKBEWUQORPNW-UONOGXRCSA-N 0 3 309.429 2.065 20 10 DECDHN CC(C)[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])N1CCN(C)CC1 ZINC000176986408 402356999 /nfs/dbraw/zinc/35/69/99/402356999.db2.gz LUAKQSJGNDICGL-YOEHRIQHSA-N 0 3 323.456 2.454 20 10 DECDHN CN(Cc1cc2c(cc1O)OCO2)[C@@H]1CCCc2c1cnn2C ZINC000162694980 402429197 /nfs/dbraw/zinc/42/91/97/402429197.db2.gz VHCOXJJDNUKSJA-CYBMUJFWSA-N 0 3 315.373 2.364 20 10 DECDHN C[C@H](CCN1CCN(C)CC1)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000186585617 402444514 /nfs/dbraw/zinc/44/45/14/402444514.db2.gz PEUMHQKIXLCUGJ-ZIAGYGMSSA-N 0 3 309.429 2.208 20 10 DECDHN CN1CCCc2cc(CNC(=O)[C@@H](N)Cc3ccccc3)ccc21 ZINC000166473958 402484980 /nfs/dbraw/zinc/48/49/80/402484980.db2.gz OXOJUHUXKSMMDZ-SFHVURJKSA-N 0 3 323.440 2.255 20 10 DECDHN O=C1OCC[C@@H]1CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000246294911 402523668 /nfs/dbraw/zinc/52/36/68/402523668.db2.gz AQBXFLOIKJPVES-GOEBONIOSA-N 0 3 319.401 2.326 20 10 DECDHN O=C1OCC[C@@H]1CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000246294911 402523671 /nfs/dbraw/zinc/52/36/71/402523671.db2.gz AQBXFLOIKJPVES-GOEBONIOSA-N 0 3 319.401 2.326 20 10 DECDHN CCOC(=O)CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000173354554 402693894 /nfs/dbraw/zinc/69/38/94/402693894.db2.gz JMMVKADRKMBRLK-OAHLLOKOSA-N 0 3 307.390 2.326 20 10 DECDHN CCOC(=O)CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000173354554 402693896 /nfs/dbraw/zinc/69/38/96/402693896.db2.gz JMMVKADRKMBRLK-OAHLLOKOSA-N 0 3 307.390 2.326 20 10 DECDHN COc1cccc(CNCc2cc(OC)c(O)c(OC)c2)c1O ZINC000263668135 402788844 /nfs/dbraw/zinc/78/88/44/402788844.db2.gz JEOSJPJXPHUYKG-UHFFFAOYSA-N 0 3 319.357 2.413 20 10 DECDHN CC[C@H](NCc1cc(OC)c(OC)cc1O)[C@@H](O)C(F)(F)F ZINC000271795482 402884300 /nfs/dbraw/zinc/88/43/00/402884300.db2.gz HSYJXJGMMFHWFB-TVQRCGJNSA-N 0 3 323.311 2.201 20 10 DECDHN Cc1cccc(C[N@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)c1[O-] ZINC000271878171 402884998 /nfs/dbraw/zinc/88/49/98/402884998.db2.gz UHVIRGBZMYAKHR-WBVHZDCISA-N 0 3 315.417 2.380 20 10 DECDHN Cc1cccc(C[N@@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)c1[O-] ZINC000271878171 402884999 /nfs/dbraw/zinc/88/49/99/402884999.db2.gz UHVIRGBZMYAKHR-WBVHZDCISA-N 0 3 315.417 2.380 20 10 DECDHN COc1cccc(CN2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1O ZINC000280565717 403013616 /nfs/dbraw/zinc/01/36/16/403013616.db2.gz VIZFMDFZFYYISG-DCGLDWPTSA-N 0 3 307.390 2.169 20 10 DECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCCN(C(C)=O)C2)c1 ZINC000280972437 403055965 /nfs/dbraw/zinc/05/59/65/403055965.db2.gz LKTWJYROWQMOCZ-GXTWGEPZSA-N 0 3 306.406 2.310 20 10 DECDHN CCCOc1ccc(C[NH2+][C@@H](C)C(=O)N2CCCC2)c([O-])c1 ZINC000281489481 403069724 /nfs/dbraw/zinc/06/97/24/403069724.db2.gz VYTHVWSQSWSLQR-ZDUSSCGKSA-N 0 3 306.406 2.282 20 10 DECDHN CS(=O)(=O)[C@H]1CCN(Cc2c(O)ccc3ccccc32)C1 ZINC000281764768 403089633 /nfs/dbraw/zinc/08/96/33/403089633.db2.gz CVYNNIJZZKBDLB-ZDUSSCGKSA-N 0 3 305.399 2.164 20 10 DECDHN CCN(C)c1ccc([C@@H](C)NC[C@@H](O)c2cnn(C)c2)cc1 ZINC000268925997 403121528 /nfs/dbraw/zinc/12/15/28/403121528.db2.gz WAMHFEVACCZEDX-CXAGYDPISA-N 0 3 302.422 2.260 20 10 DECDHN C[C@@H](NC1CC1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000294978933 403738786 /nfs/dbraw/zinc/73/87/86/403738786.db2.gz GTROANAIMXDIRC-CJNGLKHVSA-N 0 3 318.417 2.040 20 10 DECDHN COc1ccc(O)c(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000289832410 404002427 /nfs/dbraw/zinc/00/24/27/404002427.db2.gz UJBXQJXMEPJZRC-YPMHNXCESA-N 0 3 319.323 2.394 20 10 DECDHN CCOc1ccc([O-])c(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c1 ZINC000289947981 404011631 /nfs/dbraw/zinc/01/16/31/404011631.db2.gz YPWOCJLUALZNGV-HOCLYGCPSA-N 0 3 320.433 2.086 20 10 DECDHN CCOc1ccc([O-])c(C[N@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c1 ZINC000289947981 404011634 /nfs/dbraw/zinc/01/16/34/404011634.db2.gz YPWOCJLUALZNGV-HOCLYGCPSA-N 0 3 320.433 2.086 20 10 DECDHN O=C(C[NH2+][C@H]1CCc2cccc([O-])c21)NCCc1ccccc1 ZINC000296967026 404393310 /nfs/dbraw/zinc/39/33/10/404393310.db2.gz RJJCGZKJQWHKAL-INIZCTEOSA-N 0 3 310.397 2.328 20 10 DECDHN Cc1c2ccccc2n(C)c1CNC(=O)NC1CCN(C)CC1 ZINC000349121543 226658584 /nfs/dbraw/zinc/65/85/84/226658584.db2.gz FBPQGQYCQUGPIS-UHFFFAOYSA-N 0 3 314.433 2.380 20 10 DECDHN CN(C)c1ccc(CN[C@H]2COc3ccccc3[C@@H]2O)cc1F ZINC000288471943 273821309 /nfs/dbraw/zinc/82/13/09/273821309.db2.gz FUVVCYLADFEAJI-YJBOKZPZSA-N 0 3 316.376 2.476 20 10 DECDHN COc1cccc(CN2CCC(N3CCCCC3=O)CC2)c1O ZINC000093741712 274145307 /nfs/dbraw/zinc/14/53/07/274145307.db2.gz IWHSQCCKQDSUHK-UHFFFAOYSA-N 0 3 318.417 2.378 20 10 DECDHN [O-]c1cc2c(cc1C[NH2+]C[C@]1(O)CCc3ccccc31)OCO2 ZINC000132223350 275060821 /nfs/dbraw/zinc/06/08/21/275060821.db2.gz LCASPYUWXCCJFS-GOSISDBHSA-N 0 3 313.353 2.045 20 10 DECDHN COc1ccc(N2CCCN(CC[C@H]3CCOC3=O)CC2)cc1 ZINC000247013080 534001684 /nfs/dbraw/zinc/00/16/84/534001684.db2.gz SCJPSMBHZHQLNR-HNNXBMFYSA-N 0 3 318.417 2.161 20 10 DECDHN CC[C@H](CO)N1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835029259 649869218 /nfs/dbraw/zinc/86/92/18/649869218.db2.gz RWODLWNBRZDIOP-DUMMIQTOSA-N 0 3 317.477 2.154 20 10 DECDHN CCCOc1ccc(CN(CCC)CC(=O)N(C)C)c(O)c1 ZINC000156005576 520346237 /nfs/dbraw/zinc/34/62/37/520346237.db2.gz URTOJLBZQWPYDQ-UHFFFAOYSA-N 0 3 308.422 2.481 20 10 DECDHN CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cc(OC)ccc1[O-])CC2 ZINC000180411302 520379919 /nfs/dbraw/zinc/37/99/19/520379919.db2.gz UEZDZKQQWOFPTH-IAGOWNOFSA-N 0 3 321.417 2.153 20 10 DECDHN CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cc(C)ccc1[O-])CC2 ZINC000093614180 520554291 /nfs/dbraw/zinc/55/42/91/520554291.db2.gz XNVYBQKWQBSTBW-SJORKVTESA-N 0 3 305.418 2.453 20 10 DECDHN CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000182525261 520725032 /nfs/dbraw/zinc/72/50/32/520725032.db2.gz HYIZONGMVOAXMK-ZDUSSCGKSA-N 0 3 306.406 2.210 20 10 DECDHN CCOc1cccc(CN2CCN(CC(C)(C)O)C[C@@H]2C)c1O ZINC000188740963 521341496 /nfs/dbraw/zinc/34/14/96/521341496.db2.gz WOOCXHLELVOOTG-AWEZNQCLSA-N 0 3 322.449 2.068 20 10 DECDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181171649 521721902 /nfs/dbraw/zinc/72/19/02/521721902.db2.gz UXHWDWNGHRAMPV-JGNQBTRVSA-N 0 3 316.401 2.196 20 10 DECDHN CN(C)c1ccc(CN[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000265879561 522210799 /nfs/dbraw/zinc/21/07/99/522210799.db2.gz OEHDBGXDVINKJZ-GDBMZVCRSA-N 0 3 310.463 2.198 20 10 DECDHN CC[C@H]([NH2+]C1CCN(C(=O)CCOC)CC1)c1ccccc1[O-] ZINC000156764963 522561153 /nfs/dbraw/zinc/56/11/53/522561153.db2.gz ZBELJKICROPZQU-INIZCTEOSA-N 0 3 320.433 2.460 20 10 DECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC2CCN(C(C)=O)CC2)c1 ZINC000182390648 524764176 /nfs/dbraw/zinc/76/41/76/524764176.db2.gz JRYIGDGTSLGGDK-GFCCVEGCSA-N 0 3 306.406 2.310 20 10 DECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c1 ZINC000363870437 524774461 /nfs/dbraw/zinc/77/44/61/524774461.db2.gz VKXAVYVRBSWONX-STQMWFEESA-N 0 3 316.405 2.064 20 10 DECDHN C[C@@H](NCCn1ccnc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000155668856 525469586 /nfs/dbraw/zinc/46/95/86/525469586.db2.gz VPLPPFVAIORTBQ-CQSZACIVSA-N 0 3 318.396 2.210 20 10 DECDHN CCN(CC)c1ccc(CN2CC[C@H](CC(N)=O)C2)cc1F ZINC000377847230 528298766 /nfs/dbraw/zinc/29/87/66/528298766.db2.gz KPSVOOTZRPQDSU-CQSZACIVSA-N 0 3 307.413 2.369 20 10 DECDHN COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OC)c2[O-])[C@@H]1C ZINC000289377924 536318283 /nfs/dbraw/zinc/31/82/83/536318283.db2.gz CALSCTQBRTZYGY-MBNYWOFBSA-N 0 3 307.390 2.468 20 10 DECDHN COC(=O)C[C@@]1(NC/C=C/c2ccc(N(C)C)cc2)CCOC1 ZINC000835046611 649871290 /nfs/dbraw/zinc/87/12/90/649871290.db2.gz LGQBHARIWGGXRZ-WRFKIARRSA-N 0 3 318.417 2.078 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@H](C)CC[S@](C)=O)c1[O-] ZINC000169091507 625345771 /nfs/dbraw/zinc/34/57/71/625345771.db2.gz DYXREEIKHZXJQN-AYLIAGHASA-N 0 3 305.827 2.301 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCSC2)N(C)C)cc1 ZINC000891250506 623795849 /nfs/dbraw/zinc/79/58/49/623795849.db2.gz APGYUMDZBABRQE-HOCLYGCPSA-N 0 3 321.490 2.225 20 10 DECDHN Cc1cnc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000891250742 623796775 /nfs/dbraw/zinc/79/67/75/623796775.db2.gz ZPCPENFEDLORMV-OAHLLOKOSA-N 0 3 316.405 2.082 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)c2cccn2C)N(C)C)cc1 ZINC000891255661 623805451 /nfs/dbraw/zinc/80/54/51/623805451.db2.gz QWBDYWWZCGLATJ-QGZVFWFLSA-N 0 3 314.433 2.124 20 10 DECDHN COc1ccc(CN[C@H]2c3ccccc3C[C@@H]2O)c(O)c1OC ZINC000893126756 625128769 /nfs/dbraw/zinc/12/87/69/625128769.db2.gz BNILEYVSTAYLAZ-HOCLYGCPSA-N 0 3 315.369 2.157 20 10 DECDHN C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)C2CC2)c2c1c(F)ccc2[O-] ZINC000840884603 625192078 /nfs/dbraw/zinc/19/20/78/625192078.db2.gz RWDDMPYLTDKYEQ-BXKDBHETSA-N 0 3 313.394 2.246 20 10 DECDHN CCN1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C(C)(C)C1 ZINC000977663565 634091347 /nfs/dbraw/zinc/09/13/47/634091347.db2.gz SKVZCCWGUHZYFW-ZDUSSCGKSA-N 0 3 317.393 2.309 20 10 DECDHN CN(C)[C@H](CNC(=O)Cc1ccc(N)cc1)Cc1ccccc1 ZINC000237193163 636000617 /nfs/dbraw/zinc/00/06/17/636000617.db2.gz HVSVXDNPPDKXSU-SFHVURJKSA-N 0 3 311.429 2.100 20 10 DECDHN COc1cc(Br)cc(C[N@H+](CCO)C2CC2)c1[O-] ZINC000305724168 637260308 /nfs/dbraw/zinc/26/03/08/637260308.db2.gz FMVSDAMOKPMYIB-UHFFFAOYSA-N 0 3 316.195 2.120 20 10 DECDHN COc1cc(Br)cc(C[N@@H+](CCO)C2CC2)c1[O-] ZINC000305724168 637260314 /nfs/dbraw/zinc/26/03/14/637260314.db2.gz FMVSDAMOKPMYIB-UHFFFAOYSA-N 0 3 316.195 2.120 20 10 DECDHN CO[C@H](C)CN(CC(=O)NCc1ccc(N(C)C)cc1)C(C)C ZINC000839496079 637893128 /nfs/dbraw/zinc/89/31/28/637893128.db2.gz WYZQILFETKYOBW-OAHLLOKOSA-N 0 3 321.465 2.114 20 10 DECDHN CC(C)N(C)CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000742807749 638097908 /nfs/dbraw/zinc/09/79/08/638097908.db2.gz PQWZNXUBJAFXPG-UHFFFAOYSA-N 0 3 321.490 2.196 20 10 DECDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000840976387 650399067 /nfs/dbraw/zinc/39/90/67/650399067.db2.gz VOCDKUVKEPFFRW-PKOBYXMFSA-N 0 3 313.397 2.234 20 10 DECDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000840976387 650399071 /nfs/dbraw/zinc/39/90/71/650399071.db2.gz VOCDKUVKEPFFRW-PKOBYXMFSA-N 0 3 313.397 2.234 20 10 DECDHN CCOc1ccc(C[NH2+][C@H]2CCN(CC(F)F)C2)c([O-])c1 ZINC000841893466 638215641 /nfs/dbraw/zinc/21/56/41/638215641.db2.gz FQTACOAHMMBZSP-LBPRGKRZSA-N 0 3 300.349 2.220 20 10 DECDHN COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000896125330 638369270 /nfs/dbraw/zinc/36/92/70/638369270.db2.gz PVZNSEGHSGKZQG-SKDRFNHKSA-N 0 3 313.781 2.486 20 10 DECDHN COc1cc(C)cc(CN2CCCC[C@H]2C2OCCO2)c1O ZINC000754732460 639465916 /nfs/dbraw/zinc/46/59/16/639465916.db2.gz NSPLXWSFXUQPDW-AWEZNQCLSA-N 0 3 307.390 2.437 20 10 DECDHN CCC1(CC)CNC(=O)[C@@H]1NCc1ccc2c(c1)CCCO2 ZINC000897341412 639513590 /nfs/dbraw/zinc/51/35/90/639513590.db2.gz DBUSHWBSHJFJFM-INIZCTEOSA-N 0 3 302.418 2.406 20 10 DECDHN CCOc1ccc(C[NH2+][C@@H]2C(=O)NCC2(CC)CC)c([O-])c1 ZINC000897344421 639522578 /nfs/dbraw/zinc/52/25/78/639522578.db2.gz BYORAELKQWOFJA-OAHLLOKOSA-N 0 3 306.406 2.185 20 10 DECDHN C[C@@H]1C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c2c1c(F)ccc2[O-] ZINC000756474964 639665091 /nfs/dbraw/zinc/66/50/91/639665091.db2.gz FHTINGHRXIPVGR-APPZFPTMSA-N 0 3 320.286 2.348 20 10 DECDHN C[C@@H]1C[C@H]([NH2+]CCN2CCOC[C@H]2C)c2c1c(F)ccc2[O-] ZINC000756536839 639670376 /nfs/dbraw/zinc/67/03/76/639670376.db2.gz VZJQQAISWNVENH-BZPMIXESSA-N 0 3 308.397 2.390 20 10 DECDHN COCC1(O)CCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000758370233 639952158 /nfs/dbraw/zinc/95/21/58/639952158.db2.gz GQNVNHRQROIPLT-UHFFFAOYSA-N 0 3 323.433 2.369 20 10 DECDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2OC)[C@]12CCCO2 ZINC000759178135 640035334 /nfs/dbraw/zinc/03/53/34/640035334.db2.gz UPGXDDPAMIPOCT-BRWVUGGUSA-N 0 3 307.390 2.217 20 10 DECDHN Cc1cc(Cl)cc(C[NH2+]C(C)(C)CS(C)(=O)=O)c1[O-] ZINC000762788782 640459821 /nfs/dbraw/zinc/45/98/21/640459821.db2.gz XKOXZZDMHFSKCQ-UHFFFAOYSA-N 0 3 305.827 2.267 20 10 DECDHN Cc1cc(C)c(O)c(CN2CCCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000766663498 640902705 /nfs/dbraw/zinc/90/27/05/640902705.db2.gz GVMZTEAAZMONGL-OAHLLOKOSA-N 0 3 311.447 2.408 20 10 DECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000768347852 641070306 /nfs/dbraw/zinc/07/03/06/641070306.db2.gz VYNGWWZFKNKKEW-AWEZNQCLSA-N 0 3 318.417 2.139 20 10 DECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000768347852 641070310 /nfs/dbraw/zinc/07/03/10/641070310.db2.gz VYNGWWZFKNKKEW-AWEZNQCLSA-N 0 3 318.417 2.139 20 10 DECDHN CO[C@]1(C)C[C@@H]([N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)C1(C)C ZINC000768465779 641084524 /nfs/dbraw/zinc/08/45/24/641084524.db2.gz LDXJKVSHYBJCAR-QGPMSJSTSA-N 0 3 321.417 2.453 20 10 DECDHN CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)C1(C)C ZINC000768465779 641084528 /nfs/dbraw/zinc/08/45/28/641084528.db2.gz LDXJKVSHYBJCAR-QGPMSJSTSA-N 0 3 321.417 2.453 20 10 DECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000769207244 641194633 /nfs/dbraw/zinc/19/46/33/641194633.db2.gz QKTLYXQHEAZKLE-CQSZACIVSA-N 0 3 320.433 2.385 20 10 DECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000769207244 641194640 /nfs/dbraw/zinc/19/46/40/641194640.db2.gz QKTLYXQHEAZKLE-CQSZACIVSA-N 0 3 320.433 2.385 20 10 DECDHN CCOc1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c([O-])c1 ZINC000770752324 641416443 /nfs/dbraw/zinc/41/64/43/641416443.db2.gz MHVPCAMJTCQCRU-PBHICJAKSA-N 0 3 307.390 2.219 20 10 DECDHN CCN(C)c1ccc(CN2CC[C@H](NC(=O)NC3CC3)C2)cc1 ZINC000773843581 641830136 /nfs/dbraw/zinc/83/01/36/641830136.db2.gz DIQCGLPMWAAFOG-INIZCTEOSA-N 0 3 316.449 2.179 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CC23CC3)N(C)C)cc1 ZINC000899097677 641931064 /nfs/dbraw/zinc/93/10/64/641931064.db2.gz DYTYQTCOTLMLNP-CVEARBPZSA-N 0 3 316.449 2.207 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)N2C[C@@H]3C[C@@H]3C2)N(C)C)cc1 ZINC000899098619 641940404 /nfs/dbraw/zinc/94/04/04/641940404.db2.gz QBLPMRGBWBJSSM-UXLLHSPISA-N 0 3 316.449 2.017 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCCC2)N(C)C)cc1 ZINC000899101024 641941521 /nfs/dbraw/zinc/94/15/21/641941521.db2.gz GXXCYMBFGQYYMW-MRXNPFEDSA-N 0 3 304.438 2.161 20 10 DECDHN [O-]c1c(Cl)cccc1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000775645697 642071830 /nfs/dbraw/zinc/07/18/30/642071830.db2.gz FQTNIWBDZGZCAJ-AWEZNQCLSA-N 0 3 310.825 2.342 20 10 DECDHN COc1cc(O)c(CNC[C@@H](OC)C(F)(F)F)cc1OC ZINC000776175118 642138963 /nfs/dbraw/zinc/13/89/63/642138963.db2.gz VQHZDJVPUPOJAY-GFCCVEGCSA-N 0 3 309.284 2.076 20 10 DECDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)c1[O-] ZINC000776214054 642144728 /nfs/dbraw/zinc/14/47/28/642144728.db2.gz ZDSGWIHDNQHGEL-GFCCVEGCSA-N 0 3 303.811 2.021 20 10 DECDHN CSCC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000902393525 643028092 /nfs/dbraw/zinc/02/80/92/643028092.db2.gz OVUMHWUJTCRGCG-OAHLLOKOSA-N 0 3 309.431 2.393 20 10 DECDHN [O-]c1cccc2c1[C@H]([NH2+]CC1(C3(O)CCOCC3)CC1)CC2 ZINC000903347478 643322446 /nfs/dbraw/zinc/32/24/46/643322446.db2.gz OQCGCOWSPBPYJQ-CQSZACIVSA-N 0 3 303.402 2.291 20 10 DECDHN CC(=O)c1cc(F)cc(CN2CCC[C@H]3CC[C@@]32C[NH3+])c1[O-] ZINC000903796073 643465607 /nfs/dbraw/zinc/46/56/07/643465607.db2.gz RYRJEPUCPZDXBO-SUMWQHHRSA-N 0 3 306.381 2.437 20 10 DECDHN COC(=O)[C@@H]1[C@H](CN(C)Cc2ccc(N(C)C)cc2)C1(F)F ZINC000787769362 643540232 /nfs/dbraw/zinc/54/02/32/643540232.db2.gz DWEVJHFILMCEHT-KBPBESRZSA-N 0 3 312.360 2.239 20 10 DECDHN CC(C)[N@H+](C)CC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000790569411 643867773 /nfs/dbraw/zinc/86/77/73/643867773.db2.gz XKBYWUZKVCREIV-UHFFFAOYSA-N 0 3 306.406 2.290 20 10 DECDHN CC(C)[N@@H+](C)CC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000790569411 643867777 /nfs/dbraw/zinc/86/77/77/643867777.db2.gz XKBYWUZKVCREIV-UHFFFAOYSA-N 0 3 306.406 2.290 20 10 DECDHN C[C@H](NC(=O)N1CCN2CCC1CC2)c1ccc(N(C)C)cc1 ZINC000790833247 643901257 /nfs/dbraw/zinc/90/12/57/643901257.db2.gz ATLUAKRLORJGQM-AWEZNQCLSA-N 0 3 316.449 2.303 20 10 DECDHN COc1cccc([O-])c1C[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000791001817 643918356 /nfs/dbraw/zinc/91/83/56/643918356.db2.gz DOHLUWDEHORNKP-CQSZACIVSA-N 0 3 305.349 2.233 20 10 DECDHN COc1cccc(O)c1CN1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000793366786 644240755 /nfs/dbraw/zinc/24/07/55/644240755.db2.gz TXDDPKJNSOHVAF-KRWDZBQOSA-N 0 3 307.390 2.171 20 10 DECDHN COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC)cc2[O-])[C@@H]1C ZINC000793387277 644243665 /nfs/dbraw/zinc/24/36/65/644243665.db2.gz BQSMKGCTXBYOJM-XUJVJEKNSA-N 0 3 307.390 2.468 20 10 DECDHN CC[C@@H]1CN(Cc2cc(C)cc(OC)c2O)C[C@@]2(CCOC2)O1 ZINC000794694281 644461313 /nfs/dbraw/zinc/46/13/13/644461313.db2.gz MNUZPACNOBWNAB-CRAIPNDOSA-N 0 3 321.417 2.479 20 10 DECDHN C[C@@H]1C[C@@H]([NH2+]CC2(S(C)(=O)=O)CC2)c2c1c(F)ccc2[O-] ZINC000794830316 644481412 /nfs/dbraw/zinc/48/14/12/644481412.db2.gz WQBKWPHSQVBPIE-MWLCHTKSSA-N 0 3 313.394 2.246 20 10 DECDHN CCOC1CC2(C1)CC[N@H+](Cc1cc3c(cc1[O-])OC[C@H]3O)C2 ZINC000795720776 644625295 /nfs/dbraw/zinc/62/52/95/644625295.db2.gz OTTAZSLQANMJPS-CRPOECCBSA-N 0 3 319.401 2.209 20 10 DECDHN CCOC1CC2(C1)CC[N@@H+](Cc1cc3c(cc1[O-])OC[C@H]3O)C2 ZINC000795720776 644625300 /nfs/dbraw/zinc/62/53/00/644625300.db2.gz OTTAZSLQANMJPS-CRPOECCBSA-N 0 3 319.401 2.209 20 10 DECDHN C[C@@H](N[C@H](C)C1(S(C)(=O)=O)CC1)c1ccc(N(C)C)cc1 ZINC000797068848 644832917 /nfs/dbraw/zinc/83/29/17/644832917.db2.gz HCOFKLDTKUJNMX-CHWSQXEVSA-N 0 3 310.463 2.369 20 10 DECDHN C[C@@H]([NH2+][C@H](C)C1(S(C)(=O)=O)CC1)c1cc(F)ccc1[O-] ZINC000797071367 644834228 /nfs/dbraw/zinc/83/42/28/644834228.db2.gz RWKPXWRTJGPOKN-NXEZZACHSA-N 0 3 301.383 2.148 20 10 DECDHN CCOc1ccc(C[NH2+]C[C@H](CO)c2cccnc2)c([O-])c1 ZINC000808430450 646083657 /nfs/dbraw/zinc/08/36/57/646083657.db2.gz GOMRTRJIGMVZOD-OAHLLOKOSA-N 0 3 302.374 2.052 20 10 DECDHN COc1ccc(O)c(CN2CCCC[C@H]2COC(=O)N(C)C)c1 ZINC000809709268 646267151 /nfs/dbraw/zinc/26/71/51/646267151.db2.gz OSNAMXKBCTVOGY-AWEZNQCLSA-N 0 3 322.405 2.454 20 10 DECDHN Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)c1[O-] ZINC000809770389 646280885 /nfs/dbraw/zinc/28/08/85/646280885.db2.gz XSCIWRJTFUICCZ-LLVKDONJSA-N 0 3 317.838 2.268 20 10 DECDHN CC[C@@H]([NH2+]C[C@@H](O)CN(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810216212 646340255 /nfs/dbraw/zinc/34/02/55/646340255.db2.gz FUHSPPDKVNRHJM-DGCLKSJQSA-N 0 3 320.355 2.374 20 10 DECDHN CC1CC[NH+](CCCNC(=O)NCc2c([O-])cccc2F)CC1 ZINC000913937707 647105509 /nfs/dbraw/zinc/10/55/09/647105509.db2.gz ZIUYPTBODCGGNF-UHFFFAOYSA-N 0 3 323.412 2.453 20 10 DECDHN C[C@H]1[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CCN1C ZINC000914180839 647206907 /nfs/dbraw/zinc/20/69/07/647206907.db2.gz XWLNGXIKJAKKJF-WMLDXEAASA-N 0 3 316.449 2.179 20 10 DECDHN COc1ccc(N2CC[C@H](CNCc3cn(C)cn3)C2)cc1 ZINC000818220627 647435915 /nfs/dbraw/zinc/43/59/15/647435915.db2.gz HRQWZSHZMXENBP-CQSZACIVSA-N 0 3 300.406 2.045 20 10 DECDHN C[C@@H](CNCc1ccc(N2CCC(C)CC2)cc1)S(C)(=O)=O ZINC000819039421 647570124 /nfs/dbraw/zinc/57/01/24/647570124.db2.gz QEJKYDFTDMHWOS-HNNXBMFYSA-N 0 3 324.490 2.446 20 10 DECDHN C[C@@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1ccccc1[O-] ZINC000179891189 648430774 /nfs/dbraw/zinc/43/07/74/648430774.db2.gz WBEVQWOYNNNPIC-GFCCVEGCSA-N 0 3 300.358 2.107 20 10 DECDHN COc1cccc([O-])c1C[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000824501231 648598509 /nfs/dbraw/zinc/59/85/09/648598509.db2.gz GIKJRYMVHQFOCK-CQSZACIVSA-N 0 3 305.349 2.233 20 10 DECDHN Cc1cc([O-])c(C[NH2+]CCCN2CCC(O)CC2)cc1Cl ZINC000825130509 648708252 /nfs/dbraw/zinc/70/82/52/648708252.db2.gz BEVMEVONOMBAMK-UHFFFAOYSA-N 0 3 312.841 2.290 20 10 DECDHN Cc1cc(N(C)C)ccc1CN[C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000827164757 648984384 /nfs/dbraw/zinc/98/43/84/648984384.db2.gz MMIMEBHTVSBTHD-ZFWWWQNUSA-N 0 3 310.463 2.116 20 10 DECDHN COc1cc(Br)cc(C[NH2+]C2([C@H](C)O)CC2)c1[O-] ZINC000827580120 649053416 /nfs/dbraw/zinc/05/34/16/649053416.db2.gz PTONQJNFERPYDT-QMMMGPOBSA-N 0 3 316.195 2.166 20 10 DECDHN CN(C)c1ccc(CN2CC[C@@H](CN3CCCC3=O)C2)cc1F ZINC000827634076 649060061 /nfs/dbraw/zinc/06/00/61/649060061.db2.gz HPVGKLCVPHFQCN-OAHLLOKOSA-N 0 3 319.424 2.336 20 10 DECDHN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](N)Cc2ccccc2)c1 ZINC000828666556 649207735 /nfs/dbraw/zinc/20/77/35/649207735.db2.gz GCUGICKLXFJYQZ-LRDDRELGSA-N 0 3 314.385 2.148 20 10 DECDHN COc1ccc(N2CC[C@H](CNC(=O)[C@H](N)CC(C)C)C2)cc1 ZINC000831753629 649638277 /nfs/dbraw/zinc/63/82/77/649638277.db2.gz ONOSIBWQOQXRAB-RHSMWYFYSA-N 0 3 319.449 2.011 20 10 DECDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCCO)c1[O-] ZINC000848514007 651465445 /nfs/dbraw/zinc/46/54/45/651465445.db2.gz KIANBPVLLDDSQR-MRVPVSSYSA-N 0 3 304.184 2.196 20 10 DECDHN CCS(=O)(=O)C1(CNC/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000850397826 651920257 /nfs/dbraw/zinc/92/02/57/651920257.db2.gz LJJJCUPLICPCND-WAYWQWQTSA-N 0 3 322.474 2.323 20 10 DECDHN C=Cn1cc(CNCc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000850406799 651923115 /nfs/dbraw/zinc/92/31/15/651923115.db2.gz UNWKQZOEBRLOOY-UHFFFAOYSA-N 0 3 312.417 2.235 20 10 DECDHN CN(C)c1cc(F)c(CN[C@H]2CCN(CC(F)F)C2)cc1F ZINC000858179924 652273286 /nfs/dbraw/zinc/27/32/86/652273286.db2.gz XENQLTPZPAJWKE-NSHDSACASA-N 0 3 319.346 2.460 20 10 DECDHN CCOc1cccc(CN[C@@H]2CCN(C3CCC3)C2=O)c1O ZINC000858342657 652312906 /nfs/dbraw/zinc/31/29/06/652312906.db2.gz OVJNKTGUVKPYSO-CQSZACIVSA-N 0 3 304.390 2.034 20 10 DECDHN CN(C)c1ccc(CNC(=O)c2cc3c(s2)CCNC3)cc1 ZINC000852775173 652454563 /nfs/dbraw/zinc/45/45/63/652454563.db2.gz PAUCKWQKBAJQDG-UHFFFAOYSA-N 0 3 315.442 2.390 20 10 DECDHN CCN(C(=O)NCc1ccc(N(C)C)cc1C)[C@H]1CCN(C)C1 ZINC000853748245 652598175 /nfs/dbraw/zinc/59/81/75/652598175.db2.gz BWDSBXGCTRGNML-KRWDZBQOSA-N 0 3 318.465 2.297 20 10 DECDHN CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000854245067 652664819 /nfs/dbraw/zinc/66/48/19/652664819.db2.gz BGBAHNBZZUWUCE-AWEZNQCLSA-N 0 3 305.422 2.406 20 10 DECDHN CC(C)[C@@H](C(=O)NCCCSc1nccs1)N(C)C ZINC000114374808 684062601 /nfs/dbraw/zinc/06/26/01/684062601.db2.gz AEYYKTCOVXCAIE-NSHDSACASA-N 0 3 301.481 2.328 20 10 DECDHN CN(C)c1ccc(CN2CCC[C@H](CCC(N)=O)C2)cc1F ZINC000122700586 684117986 /nfs/dbraw/zinc/11/79/86/684117986.db2.gz ICQRAYVCOLKPDB-CYBMUJFWSA-N 0 3 307.413 2.369 20 10 DECDHN CCOC(=O)C1CCN(Cc2cc(OC)c(C)cc2O)CC1 ZINC000159466434 684315124 /nfs/dbraw/zinc/31/51/24/684315124.db2.gz RGLYUAWHCZJSPI-UHFFFAOYSA-N 0 3 307.390 2.484 20 10 DECDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)C1(O)CCC1)C1CCCC1 ZINC000929634889 693993324 /nfs/dbraw/zinc/99/33/24/693993324.db2.gz DEGOCARLLKFJHT-QGZVFWFLSA-N 0 3 305.418 2.413 20 10 DECDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)C1(O)CCC1)C1CCCC1 ZINC000929634889 693993327 /nfs/dbraw/zinc/99/33/27/693993327.db2.gz DEGOCARLLKFJHT-QGZVFWFLSA-N 0 3 305.418 2.413 20 10 DECDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc2cccnc2c1O ZINC000862028002 686225467 /nfs/dbraw/zinc/22/54/67/686225467.db2.gz MTAQKGPMFIXTND-CHWSQXEVSA-N 0 3 313.401 2.429 20 10 DECDHN COc1cc(Br)cc(C[NH2+][C@H]2CCC[C@@H]2O)c1[O-] ZINC000865737035 687317328 /nfs/dbraw/zinc/31/73/28/687317328.db2.gz ZTTDBKSDYUANPU-QWRGUYRKSA-N 0 3 316.195 2.166 20 10 DECDHN CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CCN(C2CC2)C1 ZINC000874457649 689418057 /nfs/dbraw/zinc/41/80/57/689418057.db2.gz QTLBTGCOZUPVPC-AWEZNQCLSA-N 0 3 315.377 2.158 20 10 DECDHN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1c(C)cccc1[O-] ZINC000877422216 690107791 /nfs/dbraw/zinc/10/77/91/690107791.db2.gz SJRCGVMQRBAXBW-UONOGXRCSA-N 0 3 307.390 2.243 20 10 DECDHN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1c(C)cccc1[O-] ZINC000877422216 690107792 /nfs/dbraw/zinc/10/77/92/690107792.db2.gz SJRCGVMQRBAXBW-UONOGXRCSA-N 0 3 307.390 2.243 20 10 DECDHN CN(C)c1ccc(CN2C[C@@H](CO)[C@H](C(F)(F)F)C2)cc1 ZINC000877693387 690193108 /nfs/dbraw/zinc/19/31/08/690193108.db2.gz VQQDXFLXUBDGHS-GXTWGEPZSA-N 0 3 302.340 2.355 20 10 DECDHN COc1ccc(N2CCN(CC[C@@H]3CCOC3)CC2)c(OC)c1 ZINC000877708332 690198827 /nfs/dbraw/zinc/19/88/27/690198827.db2.gz IRCSCHHXQJWIOM-OAHLLOKOSA-N 0 3 320.433 2.252 20 10 DECDHN CCN(C)c1ccc(CN2CCC([C@@H](F)C(N)=O)CC2)cc1 ZINC000879045209 690556348 /nfs/dbraw/zinc/55/63/48/690556348.db2.gz WWXWPDRTSJZAOA-MRXNPFEDSA-N 0 3 307.413 2.178 20 10 DECDHN COc1ccc(N2CCN(C[C@@H](O)C(C)(C)C)CC2)c(OC)c1 ZINC000879461382 690646484 /nfs/dbraw/zinc/64/64/84/690646484.db2.gz BLGVKRZOCPEXJE-QGZVFWFLSA-N 0 3 322.449 2.233 20 10 DECDHN C[C@@H]([NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000879649417 690699110 /nfs/dbraw/zinc/69/91/10/690699110.db2.gz RVXXLNFUDWIWKX-CHWSQXEVSA-N 0 3 324.421 2.319 20 10 DECDHN C[C@H](NCc1ccncc1N)c1ccc(N2CCOCC2)cc1 ZINC000882924018 691388192 /nfs/dbraw/zinc/38/81/92/691388192.db2.gz SXRZVIBEVPCQII-AWEZNQCLSA-N 0 3 312.417 2.351 20 10 DECDHN CCOc1ccc(C[NH2+]C[C@H](CO)Cc2ccoc2)c([O-])c1 ZINC000883269462 691469251 /nfs/dbraw/zinc/46/92/51/691469251.db2.gz LCRCMZNDRIDILB-CQSZACIVSA-N 0 3 305.374 2.325 20 10 DECDHN CCc1nocc1CNCc1ccc(N2CCN(C)CC2)cc1 ZINC000883283701 691471820 /nfs/dbraw/zinc/47/18/20/691471820.db2.gz PFIPJJYTICAXMJ-UHFFFAOYSA-N 0 3 314.433 2.279 20 10 DECDHN COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1ccccc1[O-] ZINC000886520547 692100143 /nfs/dbraw/zinc/10/01/43/692100143.db2.gz HFYXCGJQIALXKW-GFCCVEGCSA-N 0 3 301.346 2.000 20 10 DECDHN C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000895328478 692995639 /nfs/dbraw/zinc/99/56/39/692995639.db2.gz GKPFGPYTHOJNIX-PKOBYXMFSA-N 0 3 313.397 2.377 20 10 DECDHN C[C@]1(CO)C[C@H](O)C[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000895328478 692995643 /nfs/dbraw/zinc/99/56/43/692995643.db2.gz GKPFGPYTHOJNIX-PKOBYXMFSA-N 0 3 313.397 2.377 20 10 DECDHN O=C(NCc1c([O-])cccc1F)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC001358168382 1152368444 /nfs/dbraw/zinc/36/84/44/1152368444.db2.gz QZWBUWFVBPXBIV-SFHVURJKSA-N 0 3 314.360 2.079 20 10 DECDHN Cc1cc([O-])c(CN2C[C@H]([NH3+])C[C@H](F)C2)cc1Br ZINC001206444139 795426841 /nfs/dbraw/zinc/42/68/41/795426841.db2.gz DXVFEBACNONYEC-WDEREUQCSA-N 0 3 317.202 2.334 20 10 DECDHN c1cc(N2CCOCC2)ccc1CN1CC(N2CCCCC2)C1 ZINC001138498873 796227559 /nfs/dbraw/zinc/22/75/59/796227559.db2.gz KLIXAZBVEMRHSW-UHFFFAOYSA-N 0 3 315.461 2.193 20 10 DECDHN COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c([O-])c1 ZINC001203630384 796329869 /nfs/dbraw/zinc/32/98/69/796329869.db2.gz RIKABAMTZVGASP-OAHLLOKOSA-N 0 3 318.417 2.235 20 10 DECDHN COc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c([O-])c1 ZINC001203630384 796329871 /nfs/dbraw/zinc/32/98/71/796329871.db2.gz RIKABAMTZVGASP-OAHLLOKOSA-N 0 3 318.417 2.235 20 10 DECDHN COc1cc(CN2CCCC[C@@H]2C(C)=O)cc(CN(C)C)c1O ZINC001139259360 796351722 /nfs/dbraw/zinc/35/17/22/796351722.db2.gz SPRZYOCSHNYSAB-MRXNPFEDSA-N 0 3 320.433 2.406 20 10 DECDHN CN1CCN(c2ccc(CN3CC4(C3)CCCCO4)cc2)CC1 ZINC001139409021 796373102 /nfs/dbraw/zinc/37/31/02/796373102.db2.gz SBBPRYBGTMHHHR-UHFFFAOYSA-N 0 3 315.461 2.193 20 10 DECDHN Cc1cncnc1O[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140056071 796471512 /nfs/dbraw/zinc/47/15/12/796471512.db2.gz GUFOZKDJNSTMSN-AWEZNQCLSA-N 0 3 303.337 2.283 20 10 DECDHN Cc1cncnc1O[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140056071 796471515 /nfs/dbraw/zinc/47/15/15/796471515.db2.gz GUFOZKDJNSTMSN-AWEZNQCLSA-N 0 3 303.337 2.283 20 10 DECDHN CCC1=NC2(CC[NH+](Cc3cc(F)ccc3[O-])CC2)C(=O)N1C ZINC001140059967 796471976 /nfs/dbraw/zinc/47/19/76/796471976.db2.gz DEIHUFQWDVMRTK-UHFFFAOYSA-N 0 3 319.380 2.146 20 10 DECDHN [O-]c1cccc(Br)c1CN1CC([NH+]2CCCC2)C1 ZINC001140101405 796477618 /nfs/dbraw/zinc/47/76/18/796477618.db2.gz RQJJQGMYYNUNOW-UHFFFAOYSA-N 0 3 311.223 2.435 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c(OC)c1 ZINC001141029116 796621343 /nfs/dbraw/zinc/62/13/43/796621343.db2.gz IYHXMBBIVGVWFZ-QGZVFWFLSA-N 0 3 307.390 2.412 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CC[C@@]3(C2)CCCOC3)c(OC)c1 ZINC001141029116 796621344 /nfs/dbraw/zinc/62/13/44/796621344.db2.gz IYHXMBBIVGVWFZ-QGZVFWFLSA-N 0 3 307.390 2.412 20 10 DECDHN COC(=O)C1(C)CCN(Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141143074 796638999 /nfs/dbraw/zinc/63/89/99/796638999.db2.gz MFOOJTWADGXYIH-UHFFFAOYSA-N 0 3 318.417 2.290 20 10 DECDHN Cc1cccc(O[C@@H]2CCN(Cc3cc(O)ccc3O)C2)n1 ZINC001141162876 796643097 /nfs/dbraw/zinc/64/30/97/796643097.db2.gz IPZCKSXFYRLGOA-OAHLLOKOSA-N 0 3 300.358 2.455 20 10 DECDHN COCCN1CCN(Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143105204 796802428 /nfs/dbraw/zinc/80/24/28/796802428.db2.gz MMQJZGUGVAXZAG-UHFFFAOYSA-N 0 3 306.450 2.454 20 10 DECDHN COc1cccc(CN2CCC[C@H]2[C@H](O)C(F)(F)F)c1O ZINC000123728665 799143273 /nfs/dbraw/zinc/14/32/73/799143273.db2.gz OPJRBEZSVUHLGX-GWCFXTLKSA-N 0 3 305.296 2.288 20 10 DECDHN O=C1C[C@@H]2[C@@H](CC[N@H+]2Cc2ccccc2[O-])N1Cc1cccnc1 ZINC001203551908 800078296 /nfs/dbraw/zinc/07/82/96/800078296.db2.gz SIRPMZIWQKZOJE-IAGOWNOFSA-N 0 3 323.396 2.163 20 10 DECDHN O=C1C[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccc2[O-])N1Cc1cccnc1 ZINC001203551908 800078305 /nfs/dbraw/zinc/07/83/05/800078305.db2.gz SIRPMZIWQKZOJE-IAGOWNOFSA-N 0 3 323.396 2.163 20 10 DECDHN CC(C)(C)NC(=O)CO[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC001203558731 800081199 /nfs/dbraw/zinc/08/11/99/800081199.db2.gz ZBEBQCBDIIPFFF-OAHLLOKOSA-N 0 3 320.433 2.288 20 10 DECDHN CC(C)(C)NC(=O)CO[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203558731 800081208 /nfs/dbraw/zinc/08/12/08/800081208.db2.gz ZBEBQCBDIIPFFF-OAHLLOKOSA-N 0 3 320.433 2.288 20 10 DECDHN CC(C)C(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(O)cc3[O-])CC[C@@H]21 ZINC001204274089 800198434 /nfs/dbraw/zinc/19/84/34/800198434.db2.gz IAKALGLYZLIWIQ-CJNGLKHVSA-N 0 3 318.417 2.177 20 10 DECDHN CC(C)C(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(O)cc3[O-])CC[C@@H]21 ZINC001204274089 800198438 /nfs/dbraw/zinc/19/84/38/800198438.db2.gz IAKALGLYZLIWIQ-CJNGLKHVSA-N 0 3 318.417 2.177 20 10 DECDHN COC(=O)[C@@]1(C)CCC[N@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001206322018 800508851 /nfs/dbraw/zinc/50/88/51/800508851.db2.gz ZUCLLZJQZDGPIT-KRWDZBQOSA-N 0 3 307.390 2.484 20 10 DECDHN COC(=O)[C@@]1(C)CCC[N@@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001206322018 800508855 /nfs/dbraw/zinc/50/88/55/800508855.db2.gz ZUCLLZJQZDGPIT-KRWDZBQOSA-N 0 3 307.390 2.484 20 10 DECDHN CN1C(=O)c2ccccc2[C@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC001207130083 800689832 /nfs/dbraw/zinc/68/98/32/800689832.db2.gz WNDDRKLEQBCWRH-OAHLLOKOSA-N 0 3 300.333 2.448 20 10 DECDHN COc1ccc(N2CCN(CCCn3cccn3)CC2)c(C)c1 ZINC001208084179 800910135 /nfs/dbraw/zinc/91/01/35/800910135.db2.gz OPSCEOMTIYUAOX-UHFFFAOYSA-N 0 3 314.433 2.412 20 10 DECDHN COc1cc(CN2CC[C@H](Oc3ccccn3)C2)c(O)cc1O ZINC001231639618 801702460 /nfs/dbraw/zinc/70/24/60/801702460.db2.gz XHPCGJGXRVMWLA-ZDUSSCGKSA-N 0 3 316.357 2.155 20 10 DECDHN COC[C@@H]1Cn2nccc2CN(Cc2c(C)cc(C)cc2O)C1 ZINC001231845515 801736001 /nfs/dbraw/zinc/73/60/01/801736001.db2.gz NSGJOWWXFBFMSW-HNNXBMFYSA-N 0 3 315.417 2.484 20 10 DECDHN Cc1cc(C)c(CN2CCN(c3cc(C)ncn3)CC2)c(O)c1 ZINC001231851042 801737338 /nfs/dbraw/zinc/73/73/38/801737338.db2.gz YCFFGYDPHNBFKK-UHFFFAOYSA-N 0 3 312.417 2.430 20 10 DECDHN Oc1cc(CN2CCC[C@@H]2Cc2ccccn2)cc(O)c1O ZINC001233011527 802002202 /nfs/dbraw/zinc/00/22/02/802002202.db2.gz CFJZFQSGJHCFQM-CQSZACIVSA-N 0 3 300.358 2.406 20 10 DECDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(CCNC3=O)C2)c1[O-] ZINC001233288421 802064832 /nfs/dbraw/zinc/06/48/32/802064832.db2.gz KJPUVNAFLMIOCG-MRXNPFEDSA-N 0 3 324.808 2.156 20 10 DECDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@]3(CCNC3=O)C2)c1[O-] ZINC001233288421 802064840 /nfs/dbraw/zinc/06/48/40/802064840.db2.gz KJPUVNAFLMIOCG-MRXNPFEDSA-N 0 3 324.808 2.156 20 10 DECDHN CC(=O)N(C(C)C)C1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233487160 802127550 /nfs/dbraw/zinc/12/75/50/802127550.db2.gz SJQRKTJNCICJLV-UHFFFAOYSA-N 0 3 322.405 2.025 20 10 DECDHN O=C1c2ccccc2C(=O)c2cc(O[C@@H]3CNC[C@@H]3F)ccc21 ZINC001217999409 802130229 /nfs/dbraw/zinc/13/02/29/802130229.db2.gz FLTIIRHKLWXCIT-JKSUJKDBSA-N 0 3 311.312 2.151 20 10 DECDHN Oc1c(CN2CC[C@H](F)[C@@H](O)C2)cccc1OC(F)(F)F ZINC001233727760 802191380 /nfs/dbraw/zinc/19/13/80/802191380.db2.gz PHDWTIBLGQBANL-UWVGGRQHSA-N 0 3 309.259 2.196 20 10 DECDHN C[C@H]1CN(c2ccc(CNCc3ccc(N)cc3)cn2)CCO1 ZINC001334753465 1150339132 /nfs/dbraw/zinc/33/91/32/1150339132.db2.gz DSLWMCMIFLCLFY-AWEZNQCLSA-N 0 3 312.417 2.179 20 10 DECDHN CCO[C@@]1(C)C[C@H]1NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001331795367 1149691613 /nfs/dbraw/zinc/69/16/13/1149691613.db2.gz QSZCSUBCUMEHFE-MSOLQXFVSA-N 0 3 321.440 2.235 20 10 DECDHN CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc(O)c1[O-] ZINC001472331244 1060476360 /nfs/dbraw/zinc/47/63/60/1060476360.db2.gz PQOGAGPUOONKIH-ZFWWWQNUSA-N 0 3 318.417 2.433 20 10 DECDHN CC[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H](CC)CN1 ZINC001573717707 1069077403 /nfs/dbraw/zinc/07/74/03/1069077403.db2.gz HAPJPLOAAQVHHJ-RTIZMKJZSA-N 0 3 304.390 2.100 20 10 DECDHN C[C@@H]1C[C@@H]1N1C[C@H](NCc2ccc(N3CCCC3)cc2)CC1=O ZINC001620817630 1076255583 /nfs/dbraw/zinc/25/55/83/1076255583.db2.gz CDHZJSBJGIHQFZ-KYJSFNMBSA-N 0 3 313.445 2.386 20 10 DECDHN C[C@@H]([NH2+]Cc1cncc(-c2nnn[n-]2)c1)c1ccc(N(C)C)cc1 ZINC001589972342 1076540653 /nfs/dbraw/zinc/54/06/53/1076540653.db2.gz BDBMOWBXVMYORX-GFCCVEGCSA-N 0 3 323.404 2.179 20 10 DECDHN C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609778754 1077921874 /nfs/dbraw/zinc/92/18/74/1077921874.db2.gz JKDLJTOGZCRDHZ-GFCCVEGCSA-N 0 3 306.406 2.473 20 10 DECDHN O=C(NCc1c([O-])cccc1F)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001651240429 1079798035 /nfs/dbraw/zinc/79/80/35/1079798035.db2.gz XHHMHSGKBGRGAB-LBPRGKRZSA-N 0 3 315.348 2.069 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCC3(C2)OCCO3)c1[O-] ZINC001652022652 1079846543 /nfs/dbraw/zinc/84/65/43/1079846543.db2.gz WZWDDJBCBLNDOA-LBPRGKRZSA-N 0 3 313.781 2.439 20 10 DECDHN NC(=O)[C@@H](C[NH2+]Cc1cc(F)ccc1[O-])Cc1ccc(F)cc1 ZINC001652025490 1079846690 /nfs/dbraw/zinc/84/66/90/1079846690.db2.gz RWERONNAGQBGJN-CYBMUJFWSA-N 0 3 320.339 2.104 20 10 DECDHN CN(C)c1cc(F)c(CN[C@@H]2CC[C@@H]([S@@](C)=O)C2)cc1F ZINC001663405856 1080742365 /nfs/dbraw/zinc/74/23/65/1080742365.db2.gz UMIHHZAGCVTPTB-JWCBKOKGSA-N 0 3 316.417 2.420 20 10 DECDHN Cc1cc([O-])c(CN2CC3(C2)CCC[NH2+]3)cc1Br ZINC001235206145 1084344878 /nfs/dbraw/zinc/34/48/78/1084344878.db2.gz SEBRBWGGFLEKBL-UHFFFAOYSA-N 0 3 311.223 2.401 20 10 DECDHN CN1CC[C@@]2(CCC[N@H+](Cc3cc(F)ccc3[O-])CC2)C1=O ZINC001273284056 1090707925 /nfs/dbraw/zinc/70/79/25/1090707925.db2.gz DCBNOKFREBSGFV-QGZVFWFLSA-N 0 3 306.381 2.366 20 10 DECDHN CN1CC[C@@]2(CCC[N@@H+](Cc3cc(F)ccc3[O-])CC2)C1=O ZINC001273284056 1090707933 /nfs/dbraw/zinc/70/79/33/1090707933.db2.gz DCBNOKFREBSGFV-QGZVFWFLSA-N 0 3 306.381 2.366 20 10 DECDHN Cc1ccc(C[N@@H+]2CC[C@H]3CN(Cc4cn[nH]c4)C[C@H]32)c([O-])c1 ZINC001276169607 1091630086 /nfs/dbraw/zinc/63/00/86/1091630086.db2.gz SWUJIOXOISYEQB-DOTOQJQBSA-N 0 3 312.417 2.130 20 10 DECDHN Cc1ccc(C[N@H+]2CC[C@H]3CN(Cc4cn[nH]c4)C[C@H]32)c([O-])c1 ZINC001276169607 1091630093 /nfs/dbraw/zinc/63/00/93/1091630093.db2.gz SWUJIOXOISYEQB-DOTOQJQBSA-N 0 3 312.417 2.130 20 10 DECDHN CCc1ccc(C[NH+]2CCC3(CCN(C)C3=O)CC2)c([O-])c1 ZINC001236792993 1138429315 /nfs/dbraw/zinc/42/93/15/1138429315.db2.gz VBVQJBYMNRTDFV-UHFFFAOYSA-N 0 3 302.418 2.399 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CC[C@@H](c3nc(C)no3)C2)c([O-])c1 ZINC001236817007 1138439013 /nfs/dbraw/zinc/43/90/13/1138439013.db2.gz AGRGHLRVELHMRV-GFCCVEGCSA-N 0 3 303.362 2.390 20 10 DECDHN COc1cc(C)c(C[N@H+]2CC[C@@H](c3nc(C)no3)C2)c([O-])c1 ZINC001236817007 1138439020 /nfs/dbraw/zinc/43/90/20/1138439020.db2.gz AGRGHLRVELHMRV-GFCCVEGCSA-N 0 3 303.362 2.390 20 10 DECDHN CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C)C2)c([O-])c1 ZINC001237048800 1138488953 /nfs/dbraw/zinc/48/89/53/1138488953.db2.gz WMKPODFCIMGOHD-XJKSGUPXSA-N 0 3 318.417 2.234 20 10 DECDHN CCOc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C)C2)c([O-])c1 ZINC001237048800 1138488966 /nfs/dbraw/zinc/48/89/66/1138488966.db2.gz WMKPODFCIMGOHD-XJKSGUPXSA-N 0 3 318.417 2.234 20 10 DECDHN C[N@H+](CCC1OCCO1)Cc1c([O-])cccc1OC(F)(F)F ZINC001237121883 1138508165 /nfs/dbraw/zinc/50/81/65/1138508165.db2.gz BQBRAGNPMITKMW-UHFFFAOYSA-N 0 3 321.295 2.486 20 10 DECDHN C[N@@H+](CCC1OCCO1)Cc1c([O-])cccc1OC(F)(F)F ZINC001237121883 1138508170 /nfs/dbraw/zinc/50/81/70/1138508170.db2.gz BQBRAGNPMITKMW-UHFFFAOYSA-N 0 3 321.295 2.486 20 10 DECDHN NC(=O)[C@H]1CCC2(C1)CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001278254781 1138860273 /nfs/dbraw/zinc/86/02/73/1138860273.db2.gz HXIDLTRQFQASNL-LBPRGKRZSA-N 0 3 306.381 2.399 20 10 DECDHN O=C(N1CCCCO1)C12CC([NH2+]Cc3cc(F)ccc3[O-])(C1)C2 ZINC001278257469 1138861387 /nfs/dbraw/zinc/86/13/87/1138861387.db2.gz XGYJSSGRTBVZLL-UHFFFAOYSA-N 0 3 320.364 2.098 20 10 DECDHN CC[C@H]([NH2+]CCN1CCC(CO)CC1)c1ccc(C)cc1[O-] ZINC001321072419 1141047491 /nfs/dbraw/zinc/04/74/91/1141047491.db2.gz IXIQUTWUTBBLCO-KRWDZBQOSA-N 0 3 306.450 2.446 20 10 DECDHN COC(=O)Cc1ccc(C[NH+]2CC(c3cccnc3)C2)c([O-])c1 ZINC001249208167 1141860239 /nfs/dbraw/zinc/86/02/39/1141860239.db2.gz ODBMQVDEOGURFA-UHFFFAOYSA-N 0 3 312.369 2.102 20 10 DECDHN COc1cccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2[O-])c1 ZINC001253957519 1143011347 /nfs/dbraw/zinc/01/13/47/1143011347.db2.gz IJXGSCFDUNYHFP-HNNXBMFYSA-N 0 3 317.385 2.273 20 10 DECDHN COc1cccc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2[O-])c1 ZINC001253957519 1143011359 /nfs/dbraw/zinc/01/13/59/1143011359.db2.gz IJXGSCFDUNYHFP-HNNXBMFYSA-N 0 3 317.385 2.273 20 10 DECDHN COC(=O)C[C@@]1(NCc2ccc(N3CCCC3)cc2)CCOC1 ZINC001254961963 1143374027 /nfs/dbraw/zinc/37/40/27/1143374027.db2.gz BREAZXHQUOYCLA-SFHVURJKSA-N 0 3 318.417 2.099 20 10 DECDHN CC[C@H](C)C[C@H](N)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001341351572 1143588329 /nfs/dbraw/zinc/58/83/29/1143588329.db2.gz SZIKNGCTMLIBHK-VBQJREDUSA-N 0 3 319.449 2.154 20 10 DECDHN CCOC(=O)N1CCC([N@@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001256245660 1143838582 /nfs/dbraw/zinc/83/85/82/1143838582.db2.gz NDQFVASVUKTHRJ-UHFFFAOYSA-N 0 3 304.390 2.371 20 10 DECDHN CCOC(=O)N1CCC([N@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001256245660 1143838583 /nfs/dbraw/zinc/83/85/83/1143838583.db2.gz NDQFVASVUKTHRJ-UHFFFAOYSA-N 0 3 304.390 2.371 20 10 DECDHN COc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c1[O-] ZINC000092706403 185334503 /nfs/dbraw/zinc/33/45/03/185334503.db2.gz JVNNZSOVOLTZRD-AWEZNQCLSA-N 0 3 320.433 2.385 20 10 DECDHN COc1cccc(C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c1[O-] ZINC000092706403 185334504 /nfs/dbraw/zinc/33/45/04/185334504.db2.gz JVNNZSOVOLTZRD-AWEZNQCLSA-N 0 3 320.433 2.385 20 10 DECDHN CN(C)c1ccc(CN2CCC([C@@H](O)c3ncc[nH]3)CC2)cc1 ZINC000375690410 529780545 /nfs/dbraw/zinc/78/05/45/529780545.db2.gz HDJWQZLHWNHECB-QGZVFWFLSA-N 0 3 314.433 2.421 20 10 DECDHN CN(C)c1ccc(CNC(C)(C)CCS(C)(=O)=O)cc1F ZINC000266187488 282290067 /nfs/dbraw/zinc/29/00/67/282290067.db2.gz XJISIMXMKPLZPC-UHFFFAOYSA-N 0 3 316.442 2.195 20 10 DECDHN COc1cccc(CN2CC[C@@H](Oc3ccncc3)C2)c1O ZINC000093866104 355689213 /nfs/dbraw/zinc/68/92/13/355689213.db2.gz YTRQUJQFJLLRPL-OAHLLOKOSA-N 0 3 300.358 2.449 20 10 DECDHN CCOc1cccc(CN2CCS[C@H]3COCC[C@@H]32)c1O ZINC000091856008 193118213 /nfs/dbraw/zinc/11/82/13/193118213.db2.gz RQBYOMYYADUSMV-ZFWWWQNUSA-N 0 3 309.431 2.497 20 10 DECDHN CCOc1cccc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1[O-] ZINC000091856008 193118214 /nfs/dbraw/zinc/11/82/14/193118214.db2.gz RQBYOMYYADUSMV-ZFWWWQNUSA-N 0 3 309.431 2.497 20 10 DECDHN CCOc1cccc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c1[O-] ZINC000091856008 193118215 /nfs/dbraw/zinc/11/82/15/193118215.db2.gz RQBYOMYYADUSMV-ZFWWWQNUSA-N 0 3 309.431 2.497 20 10 DECDHN C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccccc1[O-] ZINC000272926720 130074780 /nfs/dbraw/zinc/07/47/80/130074780.db2.gz YXAGRVKJVVJVPT-FDQGKXFDSA-N 0 3 304.434 2.421 20 10 DECDHN Cc1ccc(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c([O-])c1O ZINC000273053149 130086329 /nfs/dbraw/zinc/08/63/29/130086329.db2.gz XBONFXGUWQETFG-LBPRGKRZSA-N 0 3 306.406 2.209 20 10 DECDHN C[C@@H]([NH2+]C[C@H]1CN(C)CCN1C)c1cc2c(cc1[O-])CCCC2 ZINC000273592793 130142516 /nfs/dbraw/zinc/14/25/16/130142516.db2.gz PQUNOARZOKNHJA-PBHICJAKSA-N 0 3 317.477 2.167 20 10 DECDHN [O-]c1cc2c(cc1C[NH2+]CC[C@H](O)c1ccccc1)OCO2 ZINC000289393760 131382688 /nfs/dbraw/zinc/38/26/88/131382688.db2.gz FINYLPXVZVVVFP-AWEZNQCLSA-N 0 3 301.342 2.334 20 10 DECDHN CCN1CCCC[C@H]1CNC(=O)N(C)Cc1ccccc1O ZINC000111884023 401727338 /nfs/dbraw/zinc/72/73/38/401727338.db2.gz USLPLEPKBRCOAH-HNNXBMFYSA-N 0 3 305.422 2.408 20 10 DECDHN CCOc1cccc(C[NH2+]CCCOC[C@@H]2CCCO2)c1[O-] ZINC000074336685 401735928 /nfs/dbraw/zinc/73/59/28/401735928.db2.gz XQLOYOVTVJIWJL-HNNXBMFYSA-N 0 3 309.406 2.466 20 10 DECDHN Cc1cc([O-])c(C[NH+]2CCC(N3CCCNC3=O)CC2)cc1C ZINC000093669054 402018940 /nfs/dbraw/zinc/01/89/40/402018940.db2.gz IMNNENDJKCUUKJ-UHFFFAOYSA-N 0 3 317.433 2.389 20 10 DECDHN CCCOc1ccc(CN2CCC[C@@H]2C(=O)N(C)C)c(O)c1 ZINC000122722259 402092185 /nfs/dbraw/zinc/09/21/85/402092185.db2.gz DYROUNSOHCKNDJ-OAHLLOKOSA-N 0 3 306.406 2.234 20 10 DECDHN CCCN(CC(=O)NC(=O)NC(C)(C)C)Cc1ccccc1O ZINC000069009954 402211620 /nfs/dbraw/zinc/21/16/20/402211620.db2.gz XKDLCXJMOLVCNQ-UHFFFAOYSA-N 0 3 321.421 2.229 20 10 DECDHN COC(=O)[C@@H](C)C[N@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000184682046 402291574 /nfs/dbraw/zinc/29/15/74/402291574.db2.gz ULKYNBFKARXSOF-VIFPVBQESA-N 0 3 301.770 2.295 20 10 DECDHN COC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000184682046 402291577 /nfs/dbraw/zinc/29/15/77/402291577.db2.gz ULKYNBFKARXSOF-VIFPVBQESA-N 0 3 301.770 2.295 20 10 DECDHN Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c([O-])c1O ZINC000177677213 402425620 /nfs/dbraw/zinc/42/56/20/402425620.db2.gz DQJAJYYIBIQMHU-ZDUSSCGKSA-N 0 3 306.406 2.256 20 10 DECDHN Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)c([O-])c1O ZINC000177677213 402425622 /nfs/dbraw/zinc/42/56/22/402425622.db2.gz DQJAJYYIBIQMHU-ZDUSSCGKSA-N 0 3 306.406 2.256 20 10 DECDHN COc1cccc(C[N@@H+]2CCSC3(CCOCC3)C2)c1[O-] ZINC000186488923 402435557 /nfs/dbraw/zinc/43/55/57/402435557.db2.gz FEKCRGSDXMVFDH-UHFFFAOYSA-N 0 3 309.431 2.499 20 10 DECDHN COc1cccc(C[N@H+]2CCSC3(CCOCC3)C2)c1[O-] ZINC000186488923 402435558 /nfs/dbraw/zinc/43/55/58/402435558.db2.gz FEKCRGSDXMVFDH-UHFFFAOYSA-N 0 3 309.431 2.499 20 10 DECDHN CC[C@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)N1CCOCC1 ZINC000165070760 402472700 /nfs/dbraw/zinc/47/27/00/402472700.db2.gz YGQDFCKKYATBSK-PBHICJAKSA-N 0 3 319.449 2.041 20 10 DECDHN C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccccc1O ZINC000179564105 402594399 /nfs/dbraw/zinc/59/43/99/402594399.db2.gz CXBNIPIOERCVKF-GFCCVEGCSA-N 0 3 320.414 2.233 20 10 DECDHN COc1ccc([O-])c([C@H](C)[NH2+]CC(C)(C)N2CCOCC2)c1 ZINC000192910526 402756481 /nfs/dbraw/zinc/75/64/81/402756481.db2.gz ARGSRUDTRFHDQC-ZDUSSCGKSA-N 0 3 308.422 2.162 20 10 DECDHN O=C(NC1CC[NH+](C2CCCC2)CC1)c1cccc(O)c1[O-] ZINC000193127442 402766255 /nfs/dbraw/zinc/76/62/55/402766255.db2.gz LRPYRPVCMWEMFQ-UHFFFAOYSA-N 0 3 304.390 2.235 20 10 DECDHN COc1cc(O)c(CN(CCO)Cc2ccccc2)cc1OC ZINC000183465401 402769679 /nfs/dbraw/zinc/76/96/79/402769679.db2.gz AQKUPAFFJWKOCQ-UHFFFAOYSA-N 0 3 317.385 2.404 20 10 DECDHN CS(=O)(=O)CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000263643176 402785275 /nfs/dbraw/zinc/78/52/75/402785275.db2.gz ALTJKOQOUCZGQO-UHFFFAOYSA-N 0 3 305.399 2.193 20 10 DECDHN Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000271352544 402860936 /nfs/dbraw/zinc/86/09/36/402860936.db2.gz LRAFGVZMRBBGQT-GOEBONIOSA-N 0 3 301.390 2.071 20 10 DECDHN Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000271352544 402860939 /nfs/dbraw/zinc/86/09/39/402860939.db2.gz LRAFGVZMRBBGQT-GOEBONIOSA-N 0 3 301.390 2.071 20 10 DECDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1ccc(N(C)C)cc1 ZINC000278878472 402881191 /nfs/dbraw/zinc/88/11/91/402881191.db2.gz OYEBYOOYPHTZAD-INIZCTEOSA-N 0 3 317.477 2.438 20 10 DECDHN CCOc1cccc(C[NH2+]C[C@@H]2CCCN(C(C)=O)C2)c1[O-] ZINC000279954726 402965882 /nfs/dbraw/zinc/96/58/82/402965882.db2.gz ZTJVGPXTPNBKSU-AWEZNQCLSA-N 0 3 306.406 2.139 20 10 DECDHN CN(C)c1ccc(CN(C)CCOCCO)c(C(F)(F)F)c1 ZINC000282266726 403138191 /nfs/dbraw/zinc/13/81/91/403138191.db2.gz CGOUWEXHXRHKPF-UHFFFAOYSA-N 0 3 320.355 2.212 20 10 DECDHN CCCCN(CC(=O)NC(=O)NCCC)Cc1ccccc1O ZINC000282567620 403156627 /nfs/dbraw/zinc/15/66/27/403156627.db2.gz ZETHUGSRYMFLGV-UHFFFAOYSA-N 0 3 321.421 2.230 20 10 DECDHN CCOc1ccc([O-])c(C[NH+]2CCC(CNC(C)=O)CC2)c1 ZINC000271126374 403266765 /nfs/dbraw/zinc/26/67/65/403266765.db2.gz HKCPYXHBDPNGSH-UHFFFAOYSA-N 0 3 306.406 2.139 20 10 DECDHN CNC(=O)CNCc1ccc(N(C)Cc2cccs2)cc1 ZINC000294752000 403727877 /nfs/dbraw/zinc/72/78/77/403727877.db2.gz KXFGXIQCNNONTP-UHFFFAOYSA-N 0 3 303.431 2.220 20 10 DECDHN COCCOC1(C[NH2+]Cc2cc(C)ccc2[O-])CCOCC1 ZINC000294823951 403735340 /nfs/dbraw/zinc/73/53/40/403735340.db2.gz PFCBBFRJCJXWBM-UHFFFAOYSA-N 0 3 309.406 2.002 20 10 DECDHN C[C@H]([NH2+]CCN1CCC(O)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000296086560 404087172 /nfs/dbraw/zinc/08/71/72/404087172.db2.gz XUOYHIPLYYLCAJ-AWEZNQCLSA-N 0 3 318.461 2.378 20 10 DECDHN Cc1cc(CN2CC[C@@H](OC(=O)N(C)C)C2)ccc1N(C)C ZINC000296534376 404294890 /nfs/dbraw/zinc/29/48/90/404294890.db2.gz BCVRGZYMAKCRSD-OAHLLOKOSA-N 0 3 305.422 2.334 20 10 DECDHN COC1CCN(c2ccc(CN(CCO)C3CC3)cc2)CC1 ZINC000295606074 225041611 /nfs/dbraw/zinc/04/16/11/225041611.db2.gz UYSOJGJTZVWIJI-UHFFFAOYSA-N 0 3 304.434 2.259 20 10 DECDHN O=C(c1cccc(O)c1[O-])N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000193081895 225152058 /nfs/dbraw/zinc/15/20/58/225152058.db2.gz MYSZWZQDPDJKHD-ZDUSSCGKSA-N 0 3 304.390 2.188 20 10 DECDHN CC[C@@H]([NH2+][C@H](CC)c1ccc(C)cc1[O-])C(=O)N1CCOCC1 ZINC000279966134 280196657 /nfs/dbraw/zinc/19/66/57/280196657.db2.gz CQHAQTPOUSPBRC-HZPDHXFCSA-N 0 3 320.433 2.379 20 10 DECDHN Cc1cccc(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)c1[O-] ZINC000294225948 281218439 /nfs/dbraw/zinc/21/84/39/281218439.db2.gz ZBRCGWTURQBUSD-QGZVFWFLSA-N 0 3 305.418 2.358 20 10 DECDHN CN(C)CCN(C(=O)/C=C/c1cncc(O)c1)c1ccccc1 ZINC000181940038 333147017 /nfs/dbraw/zinc/14/70/17/333147017.db2.gz NRYZYJFZRZRHCY-CMDGGOBGSA-N 0 3 311.385 2.395 20 10 DECDHN COc1ccc(N2CCCN(CCc3ccnn3C)CC2)cc1 ZINC000376560217 534003934 /nfs/dbraw/zinc/00/39/34/534003934.db2.gz DBYUFJNDDMQKMU-UHFFFAOYSA-N 0 3 314.433 2.184 20 10 DECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000370703907 534197035 /nfs/dbraw/zinc/19/70/35/534197035.db2.gz VHNWAAUEKXHFLR-FUHWJXTLSA-N 0 3 317.477 2.158 20 10 DECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000370703907 534197040 /nfs/dbraw/zinc/19/70/40/534197040.db2.gz VHNWAAUEKXHFLR-FUHWJXTLSA-N 0 3 317.477 2.158 20 10 DECDHN CC(=O)NC1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835029696 649868971 /nfs/dbraw/zinc/86/89/71/649868971.db2.gz YVEVJGJJMGMOSO-SNAWJCMRSA-N 0 3 301.434 2.366 20 10 DECDHN CN(C)c1ccc(CN2CCN(C[C@H]3CCOC3)CC2)cc1F ZINC000271202643 522180413 /nfs/dbraw/zinc/18/04/13/522180413.db2.gz XZPPUQYMNHYPDD-MRXNPFEDSA-N 0 3 321.440 2.046 20 10 DECDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c([O-])c1 ZINC000363870651 525750606 /nfs/dbraw/zinc/75/06/06/525750606.db2.gz WMTMKUYGHHLJCH-KGLIPLIRSA-N 0 3 300.406 2.364 20 10 DECDHN Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c([O-])c1O ZINC000182596361 526177781 /nfs/dbraw/zinc/17/77/81/526177781.db2.gz XZDGOTHBUZPAPY-ZDUSSCGKSA-N 0 3 306.406 2.114 20 10 DECDHN Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c([O-])c1O ZINC000182596361 526177786 /nfs/dbraw/zinc/17/77/86/526177786.db2.gz XZDGOTHBUZPAPY-ZDUSSCGKSA-N 0 3 306.406 2.114 20 10 DECDHN Cn1cccc1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000161704782 527399577 /nfs/dbraw/zinc/39/95/77/527399577.db2.gz YONKZMVUINDVNF-UHFFFAOYSA-N 0 3 303.381 2.291 20 10 DECDHN CCCOc1ccc(C[NH+]2CCC(O)(COC)CC2)c([O-])c1 ZINC000271162139 528663435 /nfs/dbraw/zinc/66/34/35/528663435.db2.gz DSPYPSVCMJDPQZ-UHFFFAOYSA-N 0 3 309.406 2.154 20 10 DECDHN CC(C)[C@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])N1CCN(C)CC1 ZINC000176986442 529015950 /nfs/dbraw/zinc/01/59/50/529015950.db2.gz LUAKQSJGNDICGL-PBHICJAKSA-N 0 3 323.456 2.454 20 10 DECDHN C[C@@H](NC/C=C\c1ccc(N(C)C)cc1)C1(S(C)(=O)=O)CC1 ZINC000835052491 649872326 /nfs/dbraw/zinc/87/23/26/649872326.db2.gz DOFOWQJFWRHJIF-GEXIGZQTSA-N 0 3 322.474 2.321 20 10 DECDHN O=C(NC[C@@H]1Cc2ccccc2CN1)N1Cc2cccc(O)c2C1 ZINC000892788302 625608645 /nfs/dbraw/zinc/60/86/45/625608645.db2.gz BQTZMAYTZURWMA-INIZCTEOSA-N 0 3 323.396 2.132 20 10 DECDHN [O-]c1ccc(Br)cc1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000306076735 623110236 /nfs/dbraw/zinc/11/02/36/623110236.db2.gz GNVZBSPXJRJEDF-AWEZNQCLSA-N 0 3 311.223 2.340 20 10 DECDHN CSC1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000891249752 623794559 /nfs/dbraw/zinc/79/45/59/623794559.db2.gz WKYWKAXBRUDSRN-HNNXBMFYSA-N 0 3 321.490 2.367 20 10 DECDHN COC(C)(C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891249007 623795712 /nfs/dbraw/zinc/79/57/12/623795712.db2.gz OXSDETQGESQKIW-INIZCTEOSA-N 0 3 321.465 2.287 20 10 DECDHN CCO[C@H](CC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251154 623797280 /nfs/dbraw/zinc/79/72/80/623797280.db2.gz AENUGBGCUTXDOJ-IAGOWNOFSA-N 0 3 321.465 2.287 20 10 DECDHN COC[C@H](C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891253038 623798540 /nfs/dbraw/zinc/79/85/40/623798540.db2.gz PLNCQWUDGJJXNC-PBHICJAKSA-N 0 3 321.465 2.144 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)/C=C/C2CC2)N(C)C)cc1 ZINC000891254534 623800697 /nfs/dbraw/zinc/80/06/97/623800697.db2.gz ZGCNEFYRNVUNRR-SNQZOLJRSA-N 0 3 301.434 2.438 20 10 DECDHN CC[C@@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891409724 624153666 /nfs/dbraw/zinc/15/36/66/624153666.db2.gz IHANAISUYJBLCW-CZUORRHYSA-N 0 3 306.454 2.453 20 10 DECDHN CSCCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000892655500 625230418 /nfs/dbraw/zinc/23/04/18/625230418.db2.gz RYZATJFZUIZFKY-HNNXBMFYSA-N 0 3 324.494 2.018 20 10 DECDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000840934629 634783091 /nfs/dbraw/zinc/78/30/91/634783091.db2.gz SWSYBEMXWSOTML-YSVLISHTSA-N 0 3 301.434 2.160 20 10 DECDHN COc1cc(Br)cc(C[NH2+][C@@H](CO)C2CC2)c1[O-] ZINC000734164440 633341540 /nfs/dbraw/zinc/34/15/40/633341540.db2.gz LXAVNOJTUUXYQU-NSHDSACASA-N 0 3 316.195 2.024 20 10 DECDHN CC(C)(C)OC(=O)[C@@](C)(O)CNCc1ccc2c(c1)CCCO2 ZINC000893609628 635036687 /nfs/dbraw/zinc/03/66/87/635036687.db2.gz UFZOGAWUJWQMCT-SFHVURJKSA-N 0 3 321.417 2.194 20 10 DECDHN COC(=O)C[C@@]1(NCc2ccc3c(c2)CCCO3)CCCOC1 ZINC000893662546 635740881 /nfs/dbraw/zinc/74/08/81/635740881.db2.gz XPEQSJJOTWCZPH-SFHVURJKSA-N 0 3 319.401 2.214 20 10 DECDHN C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc(O)c1[O-] ZINC000251437145 636269087 /nfs/dbraw/zinc/26/90/87/636269087.db2.gz CKSIZCLUUGPIII-XQQFMLRXSA-N 0 3 306.406 2.194 20 10 DECDHN C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc(O)c1[O-] ZINC000251437145 636269090 /nfs/dbraw/zinc/26/90/90/636269090.db2.gz CKSIZCLUUGPIII-XQQFMLRXSA-N 0 3 306.406 2.194 20 10 DECDHN COc1cccc([O-])c1C[NH2+]CC[C@H](N(C)C)C(F)(F)F ZINC000922752120 636371443 /nfs/dbraw/zinc/37/14/43/636371443.db2.gz LZNJLUDTTFHROO-ZDUSSCGKSA-N 0 3 306.328 2.373 20 10 DECDHN C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc(O)c1[O-] ZINC000187014425 636670188 /nfs/dbraw/zinc/67/01/88/636670188.db2.gz CKSIZCLUUGPIII-FRRDWIJNSA-N 0 3 306.406 2.194 20 10 DECDHN C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc(O)c1[O-] ZINC000187014425 636670192 /nfs/dbraw/zinc/67/01/92/636670192.db2.gz CKSIZCLUUGPIII-FRRDWIJNSA-N 0 3 306.406 2.194 20 10 DECDHN O=C(NCc1c([O-])cccc1F)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000923128975 636984478 /nfs/dbraw/zinc/98/44/78/636984478.db2.gz OTFQUWPWUAFSQW-GJZGRUSLSA-N 0 3 321.396 2.347 20 10 DECDHN O=C(NCc1c([O-])cccc1F)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000923128975 636984482 /nfs/dbraw/zinc/98/44/82/636984482.db2.gz OTFQUWPWUAFSQW-GJZGRUSLSA-N 0 3 321.396 2.347 20 10 DECDHN CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000923170483 637011743 /nfs/dbraw/zinc/01/17/43/637011743.db2.gz JYIUKXRQILDFNG-LLVKDONJSA-N 0 3 309.385 2.203 20 10 DECDHN CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000923170483 637011749 /nfs/dbraw/zinc/01/17/49/637011749.db2.gz JYIUKXRQILDFNG-LLVKDONJSA-N 0 3 309.385 2.203 20 10 DECDHN CC(=O)c1cc(F)cc(CN2CC[C@]3(C2)CCCC[NH2+]3)c1[O-] ZINC000923536210 637234873 /nfs/dbraw/zinc/23/48/73/637234873.db2.gz JBGZVKKHCRGKFT-KRWDZBQOSA-N 0 3 306.381 2.452 20 10 DECDHN Cc1cc(Br)cc(CN2C[C@H](O)C[C@H]2C)c1O ZINC000788269025 637541756 /nfs/dbraw/zinc/54/17/56/637541756.db2.gz KEBOJWKRICFRFA-BXKDBHETSA-N 0 3 300.196 2.418 20 10 DECDHN CCC[N@H+](Cc1ccc(OC)c(OC)c1[O-])[C@@H]1CCN(C)C1 ZINC000895100402 637558849 /nfs/dbraw/zinc/55/88/49/637558849.db2.gz CFTXVASCPLDDBN-CQSZACIVSA-N 0 3 308.422 2.326 20 10 DECDHN CCC[N@@H+](Cc1ccc(OC)c(OC)c1[O-])[C@@H]1CCN(C)C1 ZINC000895100402 637558852 /nfs/dbraw/zinc/55/88/52/637558852.db2.gz CFTXVASCPLDDBN-CQSZACIVSA-N 0 3 308.422 2.326 20 10 DECDHN Cn1ccc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC000839146485 637789267 /nfs/dbraw/zinc/78/92/67/637789267.db2.gz JRPVAQCJRFCBJK-UHFFFAOYSA-N 0 3 321.371 2.430 20 10 DECDHN COc1ccc(CNC[C@@H]2CC(C)=NO2)cc1Cn1cccn1 ZINC000895302468 637909179 /nfs/dbraw/zinc/90/91/79/637909179.db2.gz RLSCCLGWZWSQNR-INIZCTEOSA-N 0 3 314.389 2.194 20 10 DECDHN COC[C@@](C)(CC(=O)OC)NCc1ccc(N(C)C)cc1C ZINC000840939424 650390403 /nfs/dbraw/zinc/39/04/03/650390403.db2.gz MQPCPRBJLLCBRC-QGZVFWFLSA-N 0 3 308.422 2.119 20 10 DECDHN Cc1cc(N(C)C)ccc1CN1CCNC(=O)CC12CCC2 ZINC000895927679 638271051 /nfs/dbraw/zinc/27/10/51/638271051.db2.gz VOPAAVNRFKAZIN-UHFFFAOYSA-N 0 3 301.434 2.306 20 10 DECDHN CCOc1ccc(C[N@@H+]2CC[C@H](c3noc(C)n3)C2)c([O-])c1 ZINC000896241109 638431540 /nfs/dbraw/zinc/43/15/40/638431540.db2.gz VJQJQQZUVDLZJA-ZDUSSCGKSA-N 0 3 303.362 2.472 20 10 DECDHN CCOc1ccc(C[N@H+]2CC[C@H](c3noc(C)n3)C2)c([O-])c1 ZINC000896241109 638431542 /nfs/dbraw/zinc/43/15/42/638431542.db2.gz VJQJQQZUVDLZJA-ZDUSSCGKSA-N 0 3 303.362 2.472 20 10 DECDHN CCO[C@H](C[NH2+]Cc1cc(Cl)c(C)cc1[O-])CN(C)C ZINC000896876221 638748469 /nfs/dbraw/zinc/74/84/69/638748469.db2.gz CFQLWAYPCULQTN-CYBMUJFWSA-N 0 3 300.830 2.410 20 10 DECDHN COC(=O)c1cnc(CC[NH2+]Cc2ccc(C)cc2[O-])s1 ZINC000896930057 639085598 /nfs/dbraw/zinc/08/55/98/639085598.db2.gz KJSQQNBBLCQMFN-UHFFFAOYSA-N 0 3 306.387 2.276 20 10 DECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000753597657 639319091 /nfs/dbraw/zinc/31/90/91/639319091.db2.gz ZDLJSFCLUDQILD-ZDUSSCGKSA-N 0 3 307.390 2.376 20 10 DECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000753597657 639319097 /nfs/dbraw/zinc/31/90/97/639319097.db2.gz ZDLJSFCLUDQILD-ZDUSSCGKSA-N 0 3 307.390 2.376 20 10 DECDHN CCN(CC)c1ccc(CNC(=O)N2C[C@@H](C)NC[C@@H]2C)cc1 ZINC000841719699 650551303 /nfs/dbraw/zinc/55/13/03/650551303.db2.gz OVIDSVFHESXBSS-CABCVRRESA-N 0 3 318.465 2.425 20 10 DECDHN CCOc1ccc(C[NH+]2CCC(C(=O)N(C)C)CC2)c([O-])c1 ZINC000768193745 641058389 /nfs/dbraw/zinc/05/83/89/641058389.db2.gz LOQFJWKPINOGID-UHFFFAOYSA-N 0 3 306.406 2.091 20 10 DECDHN COc1cccc([O-])c1C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000768215905 641060006 /nfs/dbraw/zinc/06/00/06/641060006.db2.gz OZRUTWDCXJPDNF-UHFFFAOYSA-N 0 3 318.417 2.235 20 10 DECDHN COc1cccc([O-])c1C[N@H+](CCC(N)=O)Cc1ccccc1 ZINC000768215056 641060357 /nfs/dbraw/zinc/06/03/57/641060357.db2.gz VXUWISKWRANFOI-UHFFFAOYSA-N 0 3 314.385 2.278 20 10 DECDHN COc1cccc([O-])c1C[N@@H+](CCC(N)=O)Cc1ccccc1 ZINC000768215056 641060362 /nfs/dbraw/zinc/06/03/62/641060362.db2.gz VXUWISKWRANFOI-UHFFFAOYSA-N 0 3 314.385 2.278 20 10 DECDHN CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)C1(C)C ZINC000768444548 641081975 /nfs/dbraw/zinc/08/19/75/641081975.db2.gz AIZKMIJTQDGLNL-HYVNUMGLSA-N 0 3 321.417 2.453 20 10 DECDHN CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)C1(C)C ZINC000768444548 641081979 /nfs/dbraw/zinc/08/19/79/641081979.db2.gz AIZKMIJTQDGLNL-HYVNUMGLSA-N 0 3 321.417 2.453 20 10 DECDHN CCOC[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768449622 641083721 /nfs/dbraw/zinc/08/37/21/641083721.db2.gz WXAXSRZFGMSWTQ-WBMJQRKESA-N 0 3 307.390 2.067 20 10 DECDHN CCOC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768449622 641083723 /nfs/dbraw/zinc/08/37/23/641083723.db2.gz WXAXSRZFGMSWTQ-WBMJQRKESA-N 0 3 307.390 2.067 20 10 DECDHN COc1cccc([O-])c1C[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000769398946 641233447 /nfs/dbraw/zinc/23/34/47/641233447.db2.gz OPLNCCXWYYNNDM-UHFFFAOYSA-N 0 3 307.390 2.376 20 10 DECDHN COc1ccc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)c([O-])c1 ZINC000769413592 641236457 /nfs/dbraw/zinc/23/64/57/641236457.db2.gz DIKVMLJDQXJQNF-AWEZNQCLSA-N 0 3 307.390 2.219 20 10 DECDHN CCN(CC)c1ccc(CN2C[C@@H]3[C@H](C2)OCCN3C)cc1 ZINC000769485260 641248727 /nfs/dbraw/zinc/24/87/27/641248727.db2.gz ZVKKAMSQFTYEHB-MSOLQXFVSA-N 0 3 303.450 2.048 20 10 DECDHN C[C@@H](NC(=O)N[C@@H]1CCCN(C)C1)c1ccc(N(C)C)cc1 ZINC000773370056 641765122 /nfs/dbraw/zinc/76/51/22/641765122.db2.gz YKLGIVHVPDVXMN-UKRRQHHQSA-N 0 3 304.438 2.207 20 10 DECDHN CCN(C)c1ccc(CN2CCC(N3CCNC3=O)CC2)cc1 ZINC000773728514 641816521 /nfs/dbraw/zinc/81/65/21/641816521.db2.gz CVRRLVAUVMEYGQ-UHFFFAOYSA-N 0 3 316.449 2.132 20 10 DECDHN C[C@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899101669 641935327 /nfs/dbraw/zinc/93/53/27/641935327.db2.gz KJKMBIQSJHPEMX-WMLDXEAASA-N 0 3 318.465 2.407 20 10 DECDHN Cc1cc(NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)n(C)n1 ZINC000775835783 642104090 /nfs/dbraw/zinc/10/40/90/642104090.db2.gz JHQJRXAIXJTWSN-ZDUSSCGKSA-N 0 3 315.421 2.084 20 10 DECDHN CCOc1ccc(CN2CCC(O)(C(F)F)CC2)c(O)c1 ZINC000779208607 642473102 /nfs/dbraw/zinc/47/31/02/642473102.db2.gz LOPGOALSSGWRNP-UHFFFAOYSA-N 0 3 301.333 2.383 20 10 DECDHN CCOc1ccc(C[NH+]2CCC(O)(C(F)F)CC2)c([O-])c1 ZINC000779208607 642473103 /nfs/dbraw/zinc/47/31/03/642473103.db2.gz LOPGOALSSGWRNP-UHFFFAOYSA-N 0 3 301.333 2.383 20 10 DECDHN C[C@H]1CCN(CCNC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000900911646 642513670 /nfs/dbraw/zinc/51/36/70/642513670.db2.gz AWTGEEXIBMBMFE-JTQLQIEISA-N 0 3 320.414 2.384 20 10 DECDHN C[C@@H]1CC2(C[N@@H+]1Cc1cc3c(cc1[O-])OC[C@H]3O)CCOCC2 ZINC000842637742 650791891 /nfs/dbraw/zinc/79/18/91/650791891.db2.gz DQTPEABOKGXTLB-MLGOLLRUSA-N 0 3 319.401 2.209 20 10 DECDHN C[C@@H]1CC2(C[N@H+]1Cc1cc3c(cc1[O-])OC[C@H]3O)CCOCC2 ZINC000842637742 650791893 /nfs/dbraw/zinc/79/18/93/650791893.db2.gz DQTPEABOKGXTLB-MLGOLLRUSA-N 0 3 319.401 2.209 20 10 DECDHN CCOc1ccc(CN2CCCN(C(=O)C3CC3)CC2)c(O)c1 ZINC000783694707 643038655 /nfs/dbraw/zinc/03/86/55/643038655.db2.gz CGOJAOAUWJLRKP-UHFFFAOYSA-N 0 3 318.417 2.235 20 10 DECDHN Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC000903396003 643332241 /nfs/dbraw/zinc/33/22/41/643332241.db2.gz KYENFOKYNZJBFG-CHWSQXEVSA-N 0 3 314.389 2.126 20 10 DECDHN COc1cccc(O)c1CN1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000790932339 643910617 /nfs/dbraw/zinc/91/06/17/643910617.db2.gz NTNOEKDGGWOYCP-GDZNZVCISA-N 0 3 307.390 2.169 20 10 DECDHN COc1cc(O)c(CN2CC[C@@H](c3noc(C)n3)C2)cc1OC ZINC000905683941 644005808 /nfs/dbraw/zinc/00/58/08/644005808.db2.gz XLLJGCNAHDUJGJ-LLVKDONJSA-N 0 3 319.361 2.090 20 10 DECDHN C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1cc(Br)ccc1[O-] ZINC000843121335 650900407 /nfs/dbraw/zinc/90/04/07/650900407.db2.gz DTYFAPVCUWJOHH-RYUDHWBXSA-N 0 3 317.202 2.287 20 10 DECDHN CSC[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000793794793 644304617 /nfs/dbraw/zinc/30/46/17/644304617.db2.gz DEJIDKMVWDLMGX-XHDPSFHLSA-N 0 3 309.431 2.393 20 10 DECDHN CSC[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000793794793 644304622 /nfs/dbraw/zinc/30/46/22/644304622.db2.gz DEJIDKMVWDLMGX-XHDPSFHLSA-N 0 3 309.431 2.393 20 10 DECDHN CC[C@@H]1CN(Cc2cc(OC)c(C)cc2O)C[C@@]2(CCOC2)O1 ZINC000794693705 644461642 /nfs/dbraw/zinc/46/16/42/644461642.db2.gz KIHOYQAFPZXMMG-CRAIPNDOSA-N 0 3 321.417 2.479 20 10 DECDHN CNC(=O)C[C@@H](NCc1cccc(OC)c1O)c1ccccc1 ZINC000795599741 644604273 /nfs/dbraw/zinc/60/42/73/644604273.db2.gz BICULPODKSDRSB-OAHLLOKOSA-N 0 3 314.385 2.368 20 10 DECDHN CO[C@@H]1COC[C@H]1NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000843428197 650973087 /nfs/dbraw/zinc/97/30/87/650973087.db2.gz RXZPHYCEPUBFDT-ZIAGYGMSSA-N 0 3 318.339 2.275 20 10 DECDHN COc1cccc([O-])c1C[NH2+][C@H](CCO)Cc1ccccc1 ZINC000799350715 645163145 /nfs/dbraw/zinc/16/31/45/645163145.db2.gz XJJONHAVAJEXKF-OAHLLOKOSA-N 0 3 301.386 2.484 20 10 DECDHN CC[C@H](C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)N(C)C ZINC000839918953 645298878 /nfs/dbraw/zinc/29/88/78/645298878.db2.gz DUPMJUZIWPLBGI-WMLDXEAASA-N 0 3 305.466 2.448 20 10 DECDHN CN(C)c1ccc(CNC(=O)NC[C@H]2CCCCN2C)cc1 ZINC000911761192 645826735 /nfs/dbraw/zinc/82/67/35/645826735.db2.gz MFOZTWWXTIJFQJ-MRXNPFEDSA-N 0 3 304.438 2.036 20 10 DECDHN CN(C)c1ccc(CNC(=O)NC[C@H]2CCCCN2C)cc1F ZINC000912402255 646056436 /nfs/dbraw/zinc/05/64/36/646056436.db2.gz ZXAJUBFLNOLONK-CQSZACIVSA-N 0 3 322.428 2.175 20 10 DECDHN O=C1NCCN1CC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000808727516 646133762 /nfs/dbraw/zinc/13/37/62/646133762.db2.gz IMWWGYLOTVWPCV-UHFFFAOYSA-N 0 3 303.406 2.162 20 10 DECDHN O=C1NCCN1CC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000808727516 646133764 /nfs/dbraw/zinc/13/37/64/646133764.db2.gz IMWWGYLOTVWPCV-UHFFFAOYSA-N 0 3 303.406 2.162 20 10 DECDHN Cn1cncc1CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000809575925 646239427 /nfs/dbraw/zinc/23/94/27/646239427.db2.gz NGANQWZDVFDTMJ-KRWDZBQOSA-N 0 3 315.417 2.349 20 10 DECDHN Cn1cncc1CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000809575925 646239433 /nfs/dbraw/zinc/23/94/33/646239433.db2.gz NGANQWZDVFDTMJ-KRWDZBQOSA-N 0 3 315.417 2.349 20 10 DECDHN [O-]c1c(C[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)ccc2ccccc21 ZINC000816548476 647150734 /nfs/dbraw/zinc/15/07/34/647150734.db2.gz JGEQCWVDZOVVJL-DLBZAZTESA-N 0 3 312.413 2.498 20 10 DECDHN COc1ccc(O)c(CN[C@@H](CC(N)=O)c2ccccc2)c1 ZINC000816653485 647163784 /nfs/dbraw/zinc/16/37/84/647163784.db2.gz UUGIPJHQZHXEJK-HNNXBMFYSA-N 0 3 300.358 2.107 20 10 DECDHN CCN(CC)c1ccc(CN(C)CCN2CCOC2=O)cc1 ZINC000731104092 647447013 /nfs/dbraw/zinc/44/70/13/647447013.db2.gz BAEYOPFCIFFHNR-UHFFFAOYSA-N 0 3 305.422 2.417 20 10 DECDHN CCOc1ccc(CN2CCN(C(C)(C)COC)CC2)c(O)c1 ZINC000822498551 648220411 /nfs/dbraw/zinc/22/04/11/648220411.db2.gz ZUYSTYPECNAUPX-UHFFFAOYSA-N 0 3 322.449 2.334 20 10 DECDHN COc1ccc(O)c([C@H](C)NCC(=O)N(C)CC(F)(F)F)c1 ZINC000182325342 648875143 /nfs/dbraw/zinc/87/51/43/648875143.db2.gz VUCXJMWAFUREIK-VIFPVBQESA-N 0 3 320.311 2.072 20 10 DECDHN CCOc1ccc(C[NH+]2CCC(N3CCOC3=O)CC2)c([O-])c1 ZINC000827741204 649079443 /nfs/dbraw/zinc/07/94/43/649079443.db2.gz OVYDBZJJPYSLKD-UHFFFAOYSA-N 0 3 320.389 2.208 20 10 DECDHN C[C@H](NCc1cccnc1N)c1ccc(N2CCOCC2)cc1 ZINC000828669940 649208600 /nfs/dbraw/zinc/20/86/00/649208600.db2.gz UXPDZEFAKGKKJK-AWEZNQCLSA-N 0 3 312.417 2.351 20 10 DECDHN CN1CCC(NC(=S)NCc2cc(Cl)ccc2O)CC1 ZINC000844583910 651145403 /nfs/dbraw/zinc/14/54/03/651145403.db2.gz JFAUVRUSGDFUHP-UHFFFAOYSA-N 0 3 313.854 2.104 20 10 DECDHN O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1cc([O-])cs1 ZINC000855200956 651645278 /nfs/dbraw/zinc/64/52/78/651645278.db2.gz LQRHXJSIOJQIKC-UHFFFAOYSA-N 0 3 324.446 2.075 20 10 DECDHN CCON(C)C(=O)CNCc1cc(OC)cc(C(C)(C)C)c1O ZINC000850338567 651902563 /nfs/dbraw/zinc/90/25/63/651902563.db2.gz JBZJOJHOQZVWOO-UHFFFAOYSA-N 0 3 324.421 2.198 20 10 DECDHN C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1nccn1C ZINC000850409800 651923127 /nfs/dbraw/zinc/92/31/27/651923127.db2.gz HAAKLRWXUSROMX-HNNXBMFYSA-N 0 3 313.449 2.023 20 10 DECDHN [NH3+][C@@]12CCC[C@@H]1CN(Cc1cc(Br)ccc1[O-])C2 ZINC000857226743 652083906 /nfs/dbraw/zinc/08/39/06/652083906.db2.gz YMMNPZPCQAAWCU-BXUZGUMPSA-N 0 3 311.223 2.468 20 10 DECDHN COc1ccc(N2CCN(CC[C@@H]3COC(C)(C)O3)CC2)cc1 ZINC000851714019 652213326 /nfs/dbraw/zinc/21/33/26/652213326.db2.gz KTGHAHSFWPJNMW-QGZVFWFLSA-N 0 3 320.433 2.359 20 10 DECDHN CN(C)c1ccc(CNC(=O)NC[C@@H]2CCN2C(C)(C)C)cc1 ZINC000852412588 652397618 /nfs/dbraw/zinc/39/76/18/652397618.db2.gz WKILMWDNILZGFJ-INIZCTEOSA-N 0 3 318.465 2.425 20 10 DECDHN COc1cccc(CNC(=O)NC[C@@H]2CCN2C(C)(C)C)c1O ZINC000854246318 652664505 /nfs/dbraw/zinc/66/45/05/652664505.db2.gz OTKWUGCSRJLBNK-ZDUSSCGKSA-N 0 3 321.421 2.073 20 10 DECDHN COc1ccc(O)c([C@H](C)N[C@H]2CCN(C3CCC3)C2=O)c1 ZINC000858602979 685567119 /nfs/dbraw/zinc/56/71/19/685567119.db2.gz OISDFZPOIKALBD-NHYWBVRUSA-N 0 3 304.390 2.205 20 10 DECDHN CCN(CC)c1ccc(CN(C)CCN2CCOCC2)cc1F ZINC000092974768 684047186 /nfs/dbraw/zinc/04/71/86/684047186.db2.gz AROOFCIMFZTNPI-UHFFFAOYSA-N 0 3 323.456 2.436 20 10 DECDHN Cc1ccc(C[N@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)c([O-])c1 ZINC000876810321 689944105 /nfs/dbraw/zinc/94/41/05/689944105.db2.gz RLUATJPWDFOAHM-RDJZCZTQSA-N 0 3 315.417 2.380 20 10 DECDHN Cc1ccc(C[N@@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)c([O-])c1 ZINC000876810321 689944110 /nfs/dbraw/zinc/94/41/10/689944110.db2.gz RLUATJPWDFOAHM-RDJZCZTQSA-N 0 3 315.417 2.380 20 10 DECDHN CC(C)N1CCC[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000931146279 694327233 /nfs/dbraw/zinc/32/72/33/694327233.db2.gz BXGAMNCCUQSICJ-INIZCTEOSA-N 0 3 307.413 2.381 20 10 DECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000877502991 690133652 /nfs/dbraw/zinc/13/36/52/690133652.db2.gz YAUVDOHCOXBMHC-MRXNPFEDSA-N 0 3 304.434 2.245 20 10 DECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000877502991 690133654 /nfs/dbraw/zinc/13/36/54/690133654.db2.gz YAUVDOHCOXBMHC-MRXNPFEDSA-N 0 3 304.434 2.245 20 10 DECDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000877505812 690134176 /nfs/dbraw/zinc/13/41/76/690134176.db2.gz ZOLDGGWBVGWIHY-PBHICJAKSA-N 0 3 305.418 2.358 20 10 DECDHN CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc(C)cc3[O-])[C@@H]2C1 ZINC000877536182 690143830 /nfs/dbraw/zinc/14/38/30/690143830.db2.gz KJXSBDCBWUBGMB-BBWFWOEESA-N 0 3 302.418 2.437 20 10 DECDHN Cc1cccc([O-])c1C[NH+]1CCC([C@H](O)c2ccnn2C)CC1 ZINC000877646836 690178755 /nfs/dbraw/zinc/17/87/55/690178755.db2.gz LTQYNEHJMRMBIB-SFHVURJKSA-N 0 3 315.417 2.380 20 10 DECDHN COc1ccc(N2CCCN(CCc3cnccn3)CC2)cc1 ZINC000877982756 690278224 /nfs/dbraw/zinc/27/82/24/690278224.db2.gz AHIVDSVQITXKDJ-UHFFFAOYSA-N 0 3 312.417 2.240 20 10 DECDHN CCN(C)c1ccc(CN2CCC([C@H](F)C(N)=O)CC2)cc1 ZINC000879045208 690556240 /nfs/dbraw/zinc/55/62/40/690556240.db2.gz WWXWPDRTSJZAOA-INIZCTEOSA-N 0 3 307.413 2.178 20 10 DECDHN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879650019 690699127 /nfs/dbraw/zinc/69/91/27/690699127.db2.gz XYKDVKMYWJPRJR-ZYHUDNBSSA-N 0 3 316.405 2.420 20 10 DECDHN C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000879649531 690699363 /nfs/dbraw/zinc/69/93/63/690699363.db2.gz VPJPFMPDRYAASL-CHWSQXEVSA-N 0 3 324.421 2.271 20 10 DECDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H](CF)C2)cc1 ZINC000880291782 690860726 /nfs/dbraw/zinc/86/07/26/690860726.db2.gz IYFCRELWTRTMSU-HNNXBMFYSA-N 0 3 307.413 2.002 20 10 DECDHN Cc1[nH]nc(CNCc2ccc(N3CCOCC3)c(F)c2)c1C ZINC000885926365 691964560 /nfs/dbraw/zinc/96/45/60/691964560.db2.gz BWMUOMKTYKYEAA-UHFFFAOYSA-N 0 3 318.396 2.292 20 10 DECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CC[C@@]2(CO[C@@H](C)C2)O1 ZINC000886333387 692058922 /nfs/dbraw/zinc/05/89/22/692058922.db2.gz HXFLDUABJXCNLP-GDZNZVCISA-N 0 3 307.390 2.217 20 10 DECDHN [NH2+]=C(NCc1cc(Br)ccc1[O-])NCC(F)F ZINC000887359311 692344698 /nfs/dbraw/zinc/34/46/98/692344698.db2.gz OGHRNBKGKUDMEQ-UHFFFAOYSA-N 0 3 308.126 2.034 20 10 DECDHN COC1(OC)CC[C@H]1N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000924794466 693186087 /nfs/dbraw/zinc/18/60/87/693186087.db2.gz FLTJLAXGGBHRSJ-RHSMWYFYSA-N 0 3 320.433 2.325 20 10 DECDHN CC(C)CN(CCN(C)C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588406762 777082510 /nfs/dbraw/zinc/08/25/10/777082510.db2.gz SBZRBUNVZXIMRH-VURMDHGXSA-N 0 3 306.406 2.157 20 10 DECDHN Oc1cc(O)c(CN2CCN(c3ccccc3F)CC2)c(O)c1 ZINC001144509156 790940591 /nfs/dbraw/zinc/94/05/91/790940591.db2.gz MZMQELMEIPBHIA-UHFFFAOYSA-N 0 3 318.348 2.265 20 10 DECDHN CCOC(=O)[C@@H]1CC[C@@H]([N@H+](CC)Cc2ccccc2[O-])CO1 ZINC001169411378 785183554 /nfs/dbraw/zinc/18/35/54/785183554.db2.gz SFQVMOHTXIMRPM-ZBFHGGJFSA-N 0 3 307.390 2.325 20 10 DECDHN CCOC(=O)[C@@H]1CC[C@@H]([N@@H+](CC)Cc2ccccc2[O-])CO1 ZINC001169411378 785183555 /nfs/dbraw/zinc/18/35/55/785183555.db2.gz SFQVMOHTXIMRPM-ZBFHGGJFSA-N 0 3 307.390 2.325 20 10 DECDHN COC(=O)[C@@H]1CC[C@@H](N2CCCc3cc(O)c(O)cc3C2)C1 ZINC001170564031 787638219 /nfs/dbraw/zinc/63/82/19/787638219.db2.gz OHHUDRDPLYGMHS-TZMCWYRMSA-N 0 3 305.374 2.188 20 10 DECDHN CN(C)Cc1ccccc1N(c1ccc(N)cc1)S(C)(=O)=O ZINC001173931048 793872201 /nfs/dbraw/zinc/87/22/01/793872201.db2.gz FHGNVHYPQLJICK-UHFFFAOYSA-N 0 3 319.430 2.428 20 10 DECDHN Cc1cc(CN2C[C@@H]([NH3+])C[C@H](F)C2)c([O-])cc1Br ZINC001206454402 795482212 /nfs/dbraw/zinc/48/22/12/795482212.db2.gz DPVXIINBNYKURL-QWRGUYRKSA-N 0 3 317.202 2.334 20 10 DECDHN CN1CCC2(CN(Cc3ccc(N4CCCCC4)cc3)C2)C1=O ZINC001138222366 796185080 /nfs/dbraw/zinc/18/50/80/796185080.db2.gz UINFTLJUELOWOG-UHFFFAOYSA-N 0 3 313.445 2.341 20 10 DECDHN COc1cc(CN2CCCC(=O)CC2)cc(CN(C)C)c1O ZINC001139256312 796350496 /nfs/dbraw/zinc/35/04/96/796350496.db2.gz YMUWFVMATVCDHB-UHFFFAOYSA-N 0 3 306.406 2.017 20 10 DECDHN CN1CCN(c2ccc(CN3CCc4cccnc4C3)cc2)CC1 ZINC001139411148 796372244 /nfs/dbraw/zinc/37/22/44/796372244.db2.gz WWLGKFDUPAGJCY-UHFFFAOYSA-N 0 3 322.456 2.392 20 10 DECDHN Oc1ccc(F)cc1CN1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001140055550 796471087 /nfs/dbraw/zinc/47/10/87/796471087.db2.gz KLMPSWSMDNJTLO-ZMSDIMECSA-N 0 3 307.365 2.157 20 10 DECDHN CCN1CCN(c2ccc(CN3CCO[C@H](C)C3)cc2)CC1 ZINC001140301949 796504099 /nfs/dbraw/zinc/50/40/99/796504099.db2.gz FFVTYPCWFSVXPZ-MRXNPFEDSA-N 0 3 303.450 2.049 20 10 DECDHN CN1CCOc2cc(CN3CCC4(CCOC4=O)CC3)ccc21 ZINC001141145000 796638993 /nfs/dbraw/zinc/63/89/93/796638993.db2.gz OBCCYWBLSHAHFE-UHFFFAOYSA-N 0 3 316.401 2.044 20 10 DECDHN COC(=O)C[C@H]1CCCN(Cc2ccc3c(c2)OCCN3C)C1 ZINC001141145663 796640000 /nfs/dbraw/zinc/64/00/00/796640000.db2.gz XRBQMKQLLXRVKO-CQSZACIVSA-N 0 3 318.417 2.290 20 10 DECDHN CCc1nnc(C2CCN(Cc3cc(O)ccc3O)CC2)o1 ZINC001141160915 796643254 /nfs/dbraw/zinc/64/32/54/796643254.db2.gz JKPQTFOEOXQOJA-UHFFFAOYSA-N 0 3 303.362 2.423 20 10 DECDHN CN(C)c1ccc(CNC(=S)NCCN2CCCCC2)cc1 ZINC001200439482 798628250 /nfs/dbraw/zinc/62/82/50/798628250.db2.gz BWFSLCWQKLAOIZ-UHFFFAOYSA-N 0 3 320.506 2.203 20 10 DECDHN COC[C@@H]1COCCC12CCN(Cc1ccc(O)c(O)c1)CC2 ZINC001203878056 800138533 /nfs/dbraw/zinc/13/85/33/800138533.db2.gz AAHJBIVXAPMPIO-OAHLLOKOSA-N 0 3 321.417 2.363 20 10 DECDHN C[C@@H]1CN(Cc2ccc(O)cc2O)CC[C@]1(O)C(F)(F)F ZINC001204276325 800199389 /nfs/dbraw/zinc/19/93/89/800199389.db2.gz KOFDGLHQOWIUKP-NOZJJQNGSA-N 0 3 305.296 2.233 20 10 DECDHN COC[C@@]12CCC[C@@H]1CN(Cc1cc(O)c(O)c(OC)c1)C2 ZINC001204347690 800206789 /nfs/dbraw/zinc/20/67/89/800206789.db2.gz AZBCRJKZCJBWMS-DYVFJYSZSA-N 0 3 307.390 2.355 20 10 DECDHN N[C@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)C[C@H]1F ZINC001204830394 800263825 /nfs/dbraw/zinc/26/38/25/800263825.db2.gz SXNNBZOOYZBTNH-SJORKVTESA-N 0 3 316.376 2.452 20 10 DECDHN COc1cc([O-])c(CN2CC[C@@H]([NH3+])[C@H]2C)c(Br)c1 ZINC001205197174 800313481 /nfs/dbraw/zinc/31/34/81/800313481.db2.gz JIULLLSELGIOOP-PRHODGIISA-N 0 3 315.211 2.085 20 10 DECDHN COc1cc(C)c(CN(CCCO)Cc2ccccn2)c(O)c1 ZINC001205685081 800401808 /nfs/dbraw/zinc/40/18/08/800401808.db2.gz QESZWEHAWCMAPP-UHFFFAOYSA-N 0 3 316.401 2.489 20 10 DECDHN COc1ccc(Br)c(CN2CC[C@](C)(O)C2)c1O ZINC001231549493 801686564 /nfs/dbraw/zinc/68/65/64/801686564.db2.gz BVPKNHPCKPNSIS-ZDUSSCGKSA-N 0 3 316.195 2.120 20 10 DECDHN C[NH+]1CCC2(CC1)CC[NH+](Cc1cc(C(=O)[O-])ccc1[O-])CC2 ZINC001231565722 801688271 /nfs/dbraw/zinc/68/82/71/801688271.db2.gz AWJXCUOMYMSKLR-UHFFFAOYSA-N 0 3 318.417 2.398 20 10 DECDHN C[C@]1(CO)CC[N@H+](Cc2c([O-])ccc3ccccc32)C[C@H]1O ZINC001231587193 801690350 /nfs/dbraw/zinc/69/03/50/801690350.db2.gz QVAKSSURISHGMY-QZTJIDSGSA-N 0 3 301.386 2.111 20 10 DECDHN C[C@]1(CO)CC[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@H]1O ZINC001231587193 801690357 /nfs/dbraw/zinc/69/03/57/801690357.db2.gz QVAKSSURISHGMY-QZTJIDSGSA-N 0 3 301.386 2.111 20 10 DECDHN CCOC(=O)C[C@@H]1CCCN(Cc2cc(OC)c(O)cc2O)C1 ZINC001231633882 801700181 /nfs/dbraw/zinc/70/01/81/801700181.db2.gz BVAXOICGNDLZHP-LBPRGKRZSA-N 0 3 323.389 2.272 20 10 DECDHN COc1cc(CN2CC[C@H](C(=O)OC(C)(C)C)C2)c(O)cc1O ZINC001231635787 801700651 /nfs/dbraw/zinc/70/06/51/801700651.db2.gz LPFXRGNCQNHBFM-NSHDSACASA-N 0 3 323.389 2.270 20 10 DECDHN CCOC[C@@]12CCC[C@@H]1CN(Cc1cc(O)c(O)c(O)c1)C2 ZINC001233013218 802003355 /nfs/dbraw/zinc/00/33/55/802003355.db2.gz VBCQLDYPLCRJCQ-DYVFJYSZSA-N 0 3 307.390 2.442 20 10 DECDHN COc1cc(Cl)cc(CN2CC[C@@H]3[C@H]2CCC(=O)N3C)c1O ZINC001233289563 802063925 /nfs/dbraw/zinc/06/39/25/802063925.db2.gz ZSYPSJDCOPQBLE-CHWSQXEVSA-N 0 3 324.808 2.249 20 10 DECDHN O=C1c2ccccc2[C@@H]2CN(Cc3cc(O)c(O)cc3O)C[C@H]12 ZINC001233483399 802127390 /nfs/dbraw/zinc/12/73/90/802127390.db2.gz YGIWEGJRBLTSRN-KBPBESRZSA-N 0 3 311.337 2.215 20 10 DECDHN C[C@@H]1C[NH2+]C[C@H]1Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001218034053 802134130 /nfs/dbraw/zinc/13/41/30/802134130.db2.gz KKLHZRRHUYFOBS-MEBBXXQBSA-N 0 3 323.348 2.154 20 10 DECDHN COC(=O)CC[N@H+](C)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233768522 802204208 /nfs/dbraw/zinc/20/42/08/802204208.db2.gz SPPLUSSINHETEP-UHFFFAOYSA-N 0 3 307.268 2.286 20 10 DECDHN COC(=O)CC[N@@H+](C)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233768522 802204215 /nfs/dbraw/zinc/20/42/15/802204215.db2.gz SPPLUSSINHETEP-UHFFFAOYSA-N 0 3 307.268 2.286 20 10 DECDHN CN(C)c1ccc(/C=C/c2ccc(NC(=O)[C@@H](N)CN)cc2)cc1 ZINC001219203635 802297811 /nfs/dbraw/zinc/29/78/11/802297811.db2.gz KYNLIYQMZJEEQV-WHLIDYPQSA-N 0 3 324.428 2.148 20 10 DECDHN Cc1n[nH]c([C@H]2CCC[N@H+](Cc3cc(F)c(F)cc3[O-])C2)n1 ZINC001474432699 1060869008 /nfs/dbraw/zinc/86/90/08/1060869008.db2.gz KLKZBNGFFCNAJQ-JTQLQIEISA-N 0 3 308.332 2.477 20 10 DECDHN Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3cc(F)c(F)cc3[O-])C2)n1 ZINC001474432699 1060869021 /nfs/dbraw/zinc/86/90/21/1060869021.db2.gz KLKZBNGFFCNAJQ-JTQLQIEISA-N 0 3 308.332 2.477 20 10 DECDHN CC[C@@H](F)CN[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001266996389 1078487486 /nfs/dbraw/zinc/48/74/86/1078487486.db2.gz OXYBUNKWYZISMJ-CMPLNLGQSA-N 0 3 323.372 2.305 20 10 DECDHN COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]Cc1c(C)cc(OC)cc1[O-])C2 ZINC001560972561 1075148715 /nfs/dbraw/zinc/14/87/15/1075148715.db2.gz QXZNEQJYRUFHNC-PEBVRCNWSA-N 0 3 305.374 2.141 20 10 DECDHN C[C@@H]1C[C@H]1N1C[C@H](NCc2ccc(N3CCCC3)cc2)CC1=O ZINC001620817631 1076255692 /nfs/dbraw/zinc/25/56/92/1076255692.db2.gz CDHZJSBJGIHQFZ-QGPMSJSTSA-N 0 3 313.445 2.386 20 10 DECDHN O=C(C[NH2+]Cc1cc(F)ccc1[O-])N1CCc2ccccc21 ZINC001658823650 1080217784 /nfs/dbraw/zinc/21/77/84/1080217784.db2.gz OJXRMKLVOIPKKT-UHFFFAOYSA-N 0 3 300.333 2.210 20 10 DECDHN COC(=O)N1CC(C)(NC/C=C/c2ccc(N(C)C)cc2)C1 ZINC001658848841 1080220506 /nfs/dbraw/zinc/22/05/06/1080220506.db2.gz LHWYMDZEDSCWKA-AATRIKPKSA-N 0 3 303.406 2.196 20 10 DECDHN COc1cc(C)c(C[NH2+]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c([O-])c1 ZINC001660140866 1080276665 /nfs/dbraw/zinc/27/66/65/1080276665.db2.gz UAAIPNGJXDXSSR-KFWWJZLASA-N 0 3 322.449 2.297 20 10 DECDHN Cc1cn(C)nc1CNC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001663422245 1080744164 /nfs/dbraw/zinc/74/41/64/1080744164.db2.gz HCVRMGKHGMGHHK-SFHVURJKSA-N 0 3 315.465 2.187 20 10 DECDHN CC(C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3[O-])CC[C@H]21 ZINC001203552257 1084090445 /nfs/dbraw/zinc/09/04/45/1084090445.db2.gz GTORJVNGHXXZMC-GOEBONIOSA-N 0 3 302.418 2.471 20 10 DECDHN CC(C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3[O-])CC[C@H]21 ZINC001203552257 1084090456 /nfs/dbraw/zinc/09/04/56/1084090456.db2.gz GTORJVNGHXXZMC-GOEBONIOSA-N 0 3 302.418 2.471 20 10 DECDHN CCN1CCN(c2ccc(OC3CC(C(=O)OC)C3)cc2)CC1 ZINC001234657436 1084189126 /nfs/dbraw/zinc/18/91/26/1084189126.db2.gz DBTWNVVRPOOPQZ-UHFFFAOYSA-N 0 3 318.417 2.159 20 10 DECDHN Cc1cc(CN2CCC[C@@H]3[NH2+]C[C@H]32)c([O-])cc1Br ZINC001235307233 1084382024 /nfs/dbraw/zinc/38/20/24/1084382024.db2.gz UVBMBQCLQOAWNK-QWHCGFSZSA-N 0 3 311.223 2.399 20 10 DECDHN CC(C)(C)c1cc([O-])c(CN2CC[NH2+]C[C@H]2CO)cc1Cl ZINC001235440640 1084431417 /nfs/dbraw/zinc/43/14/17/1084431417.db2.gz CPMNRPFWNFWRSQ-LBPRGKRZSA-N 0 3 312.841 2.109 20 10 DECDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@H](O)[C@@](C)(CO)C2)c([O-])c1 ZINC001235674954 1084496042 /nfs/dbraw/zinc/49/60/42/1084496042.db2.gz JSXXCRFUMJKKLK-FUHWJXTLSA-N 0 3 307.434 2.255 20 10 DECDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@H](O)[C@@](C)(CO)C2)c([O-])c1 ZINC001235674954 1084496046 /nfs/dbraw/zinc/49/60/46/1084496046.db2.gz JSXXCRFUMJKKLK-FUHWJXTLSA-N 0 3 307.434 2.255 20 10 DECDHN COc1cc(CN2CC3(CCN3C3CCCC3)C2)cc(O)c1O ZINC001275962472 1092379769 /nfs/dbraw/zinc/37/97/69/1092379769.db2.gz HAGUQIVUMRTKGJ-UHFFFAOYSA-N 0 3 318.417 2.309 20 10 DECDHN COCC[N@H+](C)Cc1cc(OC)c(Br)cc1[O-] ZINC001236745061 1138406560 /nfs/dbraw/zinc/40/65/60/1138406560.db2.gz MCVRBJONYWIUNU-UHFFFAOYSA-N 0 3 304.184 2.242 20 10 DECDHN COCC[N@@H+](C)Cc1cc(OC)c(Br)cc1[O-] ZINC001236745061 1138406581 /nfs/dbraw/zinc/40/65/81/1138406581.db2.gz MCVRBJONYWIUNU-UHFFFAOYSA-N 0 3 304.184 2.242 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CCC[C@]3(CCC(=O)O3)C2)c([O-])c1 ZINC001236822057 1138440276 /nfs/dbraw/zinc/44/02/76/1138440276.db2.gz XPJWYUACVSIAFD-KRWDZBQOSA-N 0 3 305.374 2.381 20 10 DECDHN COc1cc(C)c(C[N@H+]2CCC[C@]3(CCC(=O)O3)C2)c([O-])c1 ZINC001236822057 1138440281 /nfs/dbraw/zinc/44/02/81/1138440281.db2.gz XPJWYUACVSIAFD-KRWDZBQOSA-N 0 3 305.374 2.381 20 10 DECDHN CCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC(=O)N3C)C2)c([O-])c1 ZINC001237048751 1138489952 /nfs/dbraw/zinc/48/99/52/1138489952.db2.gz WMKPODFCIMGOHD-BBRMVZONSA-N 0 3 318.417 2.234 20 10 DECDHN CCOc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC(=O)N3C)C2)c([O-])c1 ZINC001237048751 1138489956 /nfs/dbraw/zinc/48/99/56/1138489956.db2.gz WMKPODFCIMGOHD-BBRMVZONSA-N 0 3 318.417 2.234 20 10 DECDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001237053372 1138490624 /nfs/dbraw/zinc/49/06/24/1138490624.db2.gz KSPVJWTXLCGOCL-DGCLKSJQSA-N 0 3 323.286 2.238 20 10 DECDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001237053372 1138490630 /nfs/dbraw/zinc/49/06/30/1138490630.db2.gz KSPVJWTXLCGOCL-DGCLKSJQSA-N 0 3 323.286 2.238 20 10 DECDHN Oc1cc(OCC(F)(F)F)ccc1CN1CC[C@@H](F)[C@H](O)C1 ZINC001237053372 1138490635 /nfs/dbraw/zinc/49/06/35/1138490635.db2.gz KSPVJWTXLCGOCL-DGCLKSJQSA-N 0 3 323.286 2.238 20 10 DECDHN Cc1cccc(O)c1CN1CCN(CCc2ccccn2)CC1 ZINC001237490649 1138656316 /nfs/dbraw/zinc/65/63/16/1138656316.db2.gz YPEGCRCHQREAQQ-UHFFFAOYSA-N 0 3 311.429 2.456 20 10 DECDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]2CO)cc1Br ZINC001237678200 1138751398 /nfs/dbraw/zinc/75/13/98/1138751398.db2.gz WVMZJSQHNCOREK-NSHDSACASA-N 0 3 300.196 2.420 20 10 DECDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H]2CO)cc1Br ZINC001237678200 1138751412 /nfs/dbraw/zinc/75/14/12/1138751412.db2.gz WVMZJSQHNCOREK-NSHDSACASA-N 0 3 300.196 2.420 20 10 DECDHN [O-]c1ccccc1C[NH2+]C[C@H](O)COc1ccc(F)cc1F ZINC001250873067 1142341338 /nfs/dbraw/zinc/34/13/38/1142341338.db2.gz USWUWGSRDZKMFP-ZDUSSCGKSA-N 0 3 309.312 2.200 20 10 DECDHN COc1cc(C)c(C[NH2+]CC(C)(C)[C@]2(O)CCCOC2)c([O-])c1 ZINC001308875789 1147488651 /nfs/dbraw/zinc/48/86/51/1147488651.db2.gz HEMWFHSWKZCTJH-SFHVURJKSA-N 0 3 323.433 2.367 20 10 DECDHN CCOc1ccc([O-])c(C[NH+]2CCC(c3nncn3C)CC2)c1 ZINC000091795589 193109706 /nfs/dbraw/zinc/10/97/06/193109706.db2.gz LVVHKLUEWKXYEY-UHFFFAOYSA-N 0 3 316.405 2.299 20 10 DECDHN Cc1cc(CN2CCC(N3CCNC3=O)CC2)ccc1N(C)C ZINC000293671191 533594272 /nfs/dbraw/zinc/59/42/72/533594272.db2.gz ZKIPCMBIVLSMQB-UHFFFAOYSA-N 0 3 316.449 2.051 20 10 DECDHN C[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1ccccc1[O-] ZINC000272926725 130074734 /nfs/dbraw/zinc/07/47/34/130074734.db2.gz YXAGRVKJVVJVPT-QANKJYHBSA-N 0 3 304.434 2.421 20 10 DECDHN C[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1cc2c(cc1[O-])CCCC2 ZINC000273592799 130141317 /nfs/dbraw/zinc/14/13/17/130141317.db2.gz PQUNOARZOKNHJA-WMLDXEAASA-N 0 3 317.477 2.167 20 10 DECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@]2(N(C)C)CCSC2)c1 ZINC000273598760 130142456 /nfs/dbraw/zinc/14/24/56/130142456.db2.gz ROVAIKPSJGADPG-MLGOLLRUSA-N 0 3 310.463 2.489 20 10 DECDHN CN(C)c1ccc(CN2CCC(Cn3cncn3)CC2)cc1F ZINC000275122531 130293466 /nfs/dbraw/zinc/29/34/66/130293466.db2.gz HSFGQOJCVDGWFT-UHFFFAOYSA-N 0 3 317.412 2.395 20 10 DECDHN C[N@H+](Cc1ccccc1[O-])C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000289351824 131376798 /nfs/dbraw/zinc/37/67/98/131376798.db2.gz LCLZOAHSFYLASM-QGZVFWFLSA-N 0 3 324.421 2.100 20 10 DECDHN C[N@@H+](Cc1ccccc1[O-])C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000289351824 131376800 /nfs/dbraw/zinc/37/68/00/131376800.db2.gz LCLZOAHSFYLASM-QGZVFWFLSA-N 0 3 324.421 2.100 20 10 DECDHN Cc1cc(C)c([C@@H](C)[NH2+][C@H](C)CN2CCN(C)CC2)c([O-])c1 ZINC000293937801 131784671 /nfs/dbraw/zinc/78/46/71/131784671.db2.gz YJTBAOHKACNIFI-HZPDHXFCSA-N 0 3 305.466 2.296 20 10 DECDHN CCCN(CC(=O)N1C[C@@H](C)O[C@H](C)C1)Cc1ccccc1O ZINC000076074332 401781266 /nfs/dbraw/zinc/78/12/66/401781266.db2.gz TXUVHOCGXWUIAC-HUUCEWRRSA-N 0 3 320.433 2.240 20 10 DECDHN C[C@H](NC[C@H]1CCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000020551031 401824168 /nfs/dbraw/zinc/82/41/68/401824168.db2.gz KDBVEZHTCSOXNT-DZGCQCFKSA-N 0 3 308.397 2.492 20 10 DECDHN Cc1ccc(O)c(CN(C)CCN2C(=O)c3ccccc3C2=O)c1 ZINC000093837872 402021004 /nfs/dbraw/zinc/02/10/04/402021004.db2.gz MRILLXOQCVYFBG-UHFFFAOYSA-N 0 3 324.380 2.429 20 10 DECDHN CC[C@@H]([NH2+]CCCN(C)S(=O)(=O)CC)c1ccccc1[O-] ZINC000155166117 402247399 /nfs/dbraw/zinc/24/73/99/402247399.db2.gz YHVBNEMFFXYJSZ-CQSZACIVSA-N 0 3 314.451 2.105 20 10 DECDHN Cc1noc(C2CCN(Cc3cc4c(cc3O)OCO4)CC2)n1 ZINC000068966713 402210154 /nfs/dbraw/zinc/21/01/54/402210154.db2.gz ABHVXYHNBYNQIN-UHFFFAOYSA-N 0 3 317.345 2.192 20 10 DECDHN CC(C)[C@H](C[NH2+]Cc1cc2c(cc1[O-])OCO2)N1CCCC1 ZINC000236688754 402374318 /nfs/dbraw/zinc/37/43/18/402374318.db2.gz ATEWFJJLPAHYAW-AWEZNQCLSA-N 0 3 306.406 2.331 20 10 DECDHN CCOC(=O)N1CC[C@@H]([NH2+]Cc2cc(OCC)ccc2[O-])C1 ZINC000185785583 402377044 /nfs/dbraw/zinc/37/70/44/402377044.db2.gz LQJCDAACNPNLFA-CYBMUJFWSA-N 0 3 308.378 2.111 20 10 DECDHN N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178710576 402529159 /nfs/dbraw/zinc/52/91/59/402529159.db2.gz DCSIHYQNVVVFKZ-IBGZPJMESA-N 0 3 323.440 2.473 20 10 DECDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c1 ZINC000179343877 402586414 /nfs/dbraw/zinc/58/64/14/402586414.db2.gz BOQOSHFDKDLMBS-OAHLLOKOSA-N 0 3 302.418 2.439 20 10 DECDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c1 ZINC000179343877 402586416 /nfs/dbraw/zinc/58/64/16/402586416.db2.gz BOQOSHFDKDLMBS-OAHLLOKOSA-N 0 3 302.418 2.439 20 10 DECDHN C[C@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1ccccc1[O-] ZINC000278183052 402861897 /nfs/dbraw/zinc/86/18/97/402861897.db2.gz BPFBOIPOEQPBFY-KBPBESRZSA-N 0 3 300.406 2.445 20 10 DECDHN CCN(CC)c1ccc(CN[C@@]2(CCO)CCOC2)cc1F ZINC000278508581 402867124 /nfs/dbraw/zinc/86/71/24/402867124.db2.gz PJBICTHGTSZVNK-KRWDZBQOSA-N 0 3 310.413 2.303 20 10 DECDHN CC[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(C)cc1[O-] ZINC000280089868 402967164 /nfs/dbraw/zinc/96/71/64/402967164.db2.gz MHKVRCVOHCFWMN-CQSZACIVSA-N 0 3 306.406 2.023 20 10 DECDHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c1 ZINC000282659632 403157890 /nfs/dbraw/zinc/15/78/90/403157890.db2.gz IOMUAPUNQSTFDH-YOEHRIQHSA-N 0 3 305.418 2.358 20 10 DECDHN CCOc1cccc(CN[C@H](CC(N)=O)c2ccccc2)c1O ZINC000292956970 403384133 /nfs/dbraw/zinc/38/41/33/403384133.db2.gz JCBXSDZNDGACKQ-OAHLLOKOSA-N 0 3 314.385 2.497 20 10 DECDHN COCC1(C[NH2+][C@@H](C)c2cc(OC)ccc2[O-])CCOCC1 ZINC000293707360 403542839 /nfs/dbraw/zinc/54/28/39/403542839.db2.gz OTNSWFWLWHTUCV-ZDUSSCGKSA-N 0 3 309.406 2.495 20 10 DECDHN COCC1(C[NH2+][C@H](C)c2cc(OC)ccc2[O-])CCOCC1 ZINC000293707345 403542928 /nfs/dbraw/zinc/54/29/28/403542928.db2.gz OTNSWFWLWHTUCV-CYBMUJFWSA-N 0 3 309.406 2.495 20 10 DECDHN CO[C@H](C[NH2+]Cc1cc2c(cc1[O-])OCO2)Cc1ccccc1 ZINC000294754844 403729408 /nfs/dbraw/zinc/72/94/08/403729408.db2.gz IOBCPHGVMQPYQR-HNNXBMFYSA-N 0 3 315.369 2.468 20 10 DECDHN COc1ccc(O)c(CN2CCC[C@@H](OC(=O)N(C)C)C2)c1 ZINC000294853339 403736276 /nfs/dbraw/zinc/73/62/76/403736276.db2.gz SHKMXGYAFYMFBR-CQSZACIVSA-N 0 3 308.378 2.063 20 10 DECDHN C[C@@H]1CN(CCC[NH2+][C@@H]2CCc3cccc([O-])c32)C[C@@H](C)O1 ZINC000296164554 404123426 /nfs/dbraw/zinc/12/34/26/404123426.db2.gz XKJMEBRMVJWYEF-IIAWOOMASA-N 0 3 304.434 2.468 20 10 DECDHN Cc1cc(CN2CC[C@H](OC(=O)N(C)C)C2)ccc1N(C)C ZINC000296534372 404294113 /nfs/dbraw/zinc/29/41/13/404294113.db2.gz BCVRGZYMAKCRSD-HNNXBMFYSA-N 0 3 305.422 2.334 20 10 DECDHN [O-]c1cccc2c1[C@H]([NH2+][C@H](CO)C[C@H](O)c1ccccc1)CC2 ZINC000296862091 404346324 /nfs/dbraw/zinc/34/63/24/404346324.db2.gz NPNRKHBEIBZPCC-JZXOWHBKSA-N 0 3 313.397 2.454 20 10 DECDHN CCOc1cccc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c1[O-] ZINC000289224626 276380179 /nfs/dbraw/zinc/38/01/79/276380179.db2.gz CSJPAKMEABKPIC-GDBMZVCRSA-N 0 3 320.433 2.086 20 10 DECDHN CCOc1cccc(C[N@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c1[O-] ZINC000289224626 276380180 /nfs/dbraw/zinc/38/01/80/276380180.db2.gz CSJPAKMEABKPIC-GDBMZVCRSA-N 0 3 320.433 2.086 20 10 DECDHN CCOc1cccc(CN2CCC(CC(=O)N(C)C)CC2)c1O ZINC000180329454 521337952 /nfs/dbraw/zinc/33/79/52/521337952.db2.gz RDBZQEXZUZURBX-UHFFFAOYSA-N 0 3 320.433 2.481 20 10 DECDHN CCOc1cccc(C[NH+]2CCC(CC(=O)N(C)C)CC2)c1[O-] ZINC000180329454 521337962 /nfs/dbraw/zinc/33/79/62/521337962.db2.gz RDBZQEXZUZURBX-UHFFFAOYSA-N 0 3 320.433 2.481 20 10 DECDHN CCOC(=O)c1csc(CC[NH2+]Cc2cc(F)ccc2[O-])n1 ZINC000191512468 521589558 /nfs/dbraw/zinc/58/95/58/521589558.db2.gz MGGXRKCWRNFZQH-UHFFFAOYSA-N 0 3 324.377 2.497 20 10 DECDHN COc1cc([O-])c(C[N@H+](C)CCCn2ccnc2)cc1OC ZINC000160447792 522771077 /nfs/dbraw/zinc/77/10/77/522771077.db2.gz RJGGKXOHLQOAGM-UHFFFAOYSA-N 0 3 305.378 2.128 20 10 DECDHN COc1cc([O-])c(C[N@@H+](C)CCCn2ccnc2)cc1OC ZINC000160447792 522771082 /nfs/dbraw/zinc/77/10/82/522771082.db2.gz RJGGKXOHLQOAGM-UHFFFAOYSA-N 0 3 305.378 2.128 20 10 DECDHN COc1cc([O-])c(C[NH2+]C[C@@](C)(O)c2ccsc2)cc1OC ZINC000182405063 522782895 /nfs/dbraw/zinc/78/28/95/522782895.db2.gz VAFLHKVWCWGEBB-MRXNPFEDSA-N 0 3 323.414 2.468 20 10 DECDHN Cc1cccc(C[N@@H+](C)CC(C)(C)CN2CCOCC2)c1[O-] ZINC000180548106 524374584 /nfs/dbraw/zinc/37/45/84/524374584.db2.gz LLHIEPYMOQBFOY-UHFFFAOYSA-N 0 3 306.450 2.491 20 10 DECDHN Cc1cccc(C[N@H+](C)CC(C)(C)CN2CCOCC2)c1[O-] ZINC000180548106 524374590 /nfs/dbraw/zinc/37/45/90/524374590.db2.gz LLHIEPYMOQBFOY-UHFFFAOYSA-N 0 3 306.450 2.491 20 10 DECDHN COc1cccc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)c1[O-] ZINC000271164256 526036453 /nfs/dbraw/zinc/03/64/53/526036453.db2.gz AXGOLQYCJAACIY-HNNXBMFYSA-N 0 3 305.349 2.233 20 10 DECDHN CN(C)c1ccc(/C=C\CN2CC[C@H](N3CCCC3=O)C2)cc1 ZINC000835050640 649871723 /nfs/dbraw/zinc/87/17/23/649871723.db2.gz RAJFJXXLYZWDMT-AJNOYIKESA-N 0 3 313.445 2.463 20 10 DECDHN COc1ccc(CN[C@@H]2c3ccccc3C[C@@H]2O)c(O)c1OC ZINC000893126749 625128681 /nfs/dbraw/zinc/12/86/81/625128681.db2.gz BNILEYVSTAYLAZ-GOEBONIOSA-N 0 3 315.369 2.157 20 10 DECDHN COc1ccc(C[N@H+](C)C[C@@H]2CCCC[C@H]2O)c([O-])c1OC ZINC000893409494 633510645 /nfs/dbraw/zinc/51/06/45/633510645.db2.gz RSPREDCOVPJCRF-GXTWGEPZSA-N 0 3 309.406 2.392 20 10 DECDHN COc1ccc(C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)c([O-])c1OC ZINC000893409494 633510648 /nfs/dbraw/zinc/51/06/48/633510648.db2.gz RSPREDCOVPJCRF-GXTWGEPZSA-N 0 3 309.406 2.392 20 10 DECDHN CN1CCN(C(C)(C)C[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000083551798 633608362 /nfs/dbraw/zinc/60/83/62/633608362.db2.gz XLHWLXISVTXCSK-UHFFFAOYSA-N 0 3 311.857 2.161 20 10 DECDHN COc1cc(C)cc(CN2CC[C@](CO)(C(F)(F)F)C2)c1O ZINC000895837588 638218489 /nfs/dbraw/zinc/21/84/89/638218489.db2.gz NVTWZQSWDGGGBT-AWEZNQCLSA-N 0 3 319.323 2.456 20 10 DECDHN [O-]c1cc2c(cc1C[NH2+]CC1(C3(O)CCC3)CCC1)OCO2 ZINC000895870731 638237965 /nfs/dbraw/zinc/23/79/65/638237965.db2.gz UDVLZBWYFMEEGP-UHFFFAOYSA-N 0 3 305.374 2.296 20 10 DECDHN CCCCNC(=O)NC(=O)CN(CCC)Cc1ccccc1O ZINC000727831045 638407171 /nfs/dbraw/zinc/40/71/71/638407171.db2.gz DZFMCAGXDGHIRE-UHFFFAOYSA-N 0 3 321.421 2.230 20 10 DECDHN Cc1cccc([O-])c1C[NH+]1CCC([C@@]2(C)COC(=O)N2)CC1 ZINC000896466210 638529159 /nfs/dbraw/zinc/52/91/59/638529159.db2.gz CILFOOQAOWYMKI-QGZVFWFLSA-N 0 3 304.390 2.411 20 10 DECDHN Cc1cccc(O)c1CN[C@H]1CON(C(=O)OC(C)(C)C)C1 ZINC000896998599 639119946 /nfs/dbraw/zinc/11/99/46/639119946.db2.gz NVYAHXMGLRTGBX-GFCCVEGCSA-N 0 3 308.378 2.341 20 10 DECDHN Cc1ccc(C[N@@H+]2CC3(CCOCC3)CC[C@H]2CO)c([O-])c1 ZINC000897177529 639226358 /nfs/dbraw/zinc/22/63/58/639226358.db2.gz QRJRAYGTHTYMNH-INIZCTEOSA-N 0 3 305.418 2.454 20 10 DECDHN Cc1ccc(C[N@H+]2CC3(CCOCC3)CC[C@H]2CO)c([O-])c1 ZINC000897177529 639226362 /nfs/dbraw/zinc/22/63/62/639226362.db2.gz QRJRAYGTHTYMNH-INIZCTEOSA-N 0 3 305.418 2.454 20 10 DECDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COCC2CC2)c2c1c(F)ccc2[O-] ZINC000756512122 639667988 /nfs/dbraw/zinc/66/79/88/639667988.db2.gz VOYREGXDGJYLCO-MPKXVKKWSA-N 0 3 309.381 2.457 20 10 DECDHN C[C@@H]1C[C@@H]([NH2+][C@@H](CO)C2CCOCC2)c2c1c(F)ccc2[O-] ZINC000757658665 639866008 /nfs/dbraw/zinc/86/60/08/639866008.db2.gz JARLNNYPXDRLBA-HONMWMINSA-N 0 3 309.381 2.457 20 10 DECDHN C[C@H]1NCCN(C(=O)NCc2ccc(N3CCCC3)cc2)[C@H]1C ZINC000841710478 650546989 /nfs/dbraw/zinc/54/69/89/650546989.db2.gz WNBIFTHDQJIBPT-CABCVRRESA-N 0 3 316.449 2.179 20 10 DECDHN C[C@H]1[C@@H](NCCF)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000987593934 640230744 /nfs/dbraw/zinc/23/07/44/640230744.db2.gz HGEOQCKVVZVTDX-GWCFXTLKSA-N 0 3 321.356 2.011 20 10 DECDHN COc1ccc(O)c([C@H](C)NC(=O)CN2[C@@H](C)CC[C@@H]2C)c1 ZINC000761973503 640368226 /nfs/dbraw/zinc/36/82/26/640368226.db2.gz QWOXMEWJYGQOMX-AVGNSLFASA-N 0 3 306.406 2.451 20 10 DECDHN Cc1ccc(C[NH2+]C[C@@]2(c3cnn(C)c3)CCCO2)c([O-])c1 ZINC000898049886 640999461 /nfs/dbraw/zinc/99/94/61/640999461.db2.gz MCXYUJLEUHOIBO-QGZVFWFLSA-N 0 3 301.390 2.230 20 10 DECDHN CO[C@]1(C)C[C@H]([N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)C1(C)C ZINC000768465781 641084452 /nfs/dbraw/zinc/08/44/52/641084452.db2.gz LDXJKVSHYBJCAR-UWWQBHOKSA-N 0 3 321.417 2.453 20 10 DECDHN CO[C@]1(C)C[C@H]([N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)C1(C)C ZINC000768465781 641084455 /nfs/dbraw/zinc/08/44/55/641084455.db2.gz LDXJKVSHYBJCAR-UWWQBHOKSA-N 0 3 321.417 2.453 20 10 DECDHN CCC[C@@H](O)[C@H](CO)NCc1ccc(N(CC)CC)c(F)c1 ZINC000842224645 650673062 /nfs/dbraw/zinc/67/30/62/650673062.db2.gz DNOXIPKNTDWDKA-DOTOQJQBSA-N 0 3 312.429 2.283 20 10 DECDHN CC(C)[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCN1 ZINC000899019983 641901839 /nfs/dbraw/zinc/90/18/39/641901839.db2.gz ATZYOFQNJRDSMC-LLVKDONJSA-N 0 3 320.414 2.383 20 10 DECDHN CCOCCCNC(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774484708 641908621 /nfs/dbraw/zinc/90/86/21/641908621.db2.gz PUKFOTWULMGVIO-CABCVRRESA-N 0 3 321.465 2.335 20 10 DECDHN CCN(CC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100718 641941497 /nfs/dbraw/zinc/94/14/97/641941497.db2.gz CGBLHIZBOQYZEE-INIZCTEOSA-N 0 3 306.454 2.407 20 10 DECDHN C[C@@H]1CO[C@@H](C)CN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775653255 642072616 /nfs/dbraw/zinc/07/26/16/642072616.db2.gz BJZXWZCHNCQRAN-CVEARBPZSA-N 0 3 303.450 2.048 20 10 DECDHN COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000776869743 642214458 /nfs/dbraw/zinc/21/44/58/642214458.db2.gz ZGDKEXDHAMVPKD-YSVLISHTSA-N 0 3 309.406 2.172 20 10 DECDHN CCn1ccc(C[N@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)c1 ZINC000790450983 643854451 /nfs/dbraw/zinc/85/44/51/643854451.db2.gz LFOXOHFZMZAJFC-INIZCTEOSA-N 0 3 302.374 2.271 20 10 DECDHN CCn1ccc(C[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)c1 ZINC000790450983 643854454 /nfs/dbraw/zinc/85/44/54/643854454.db2.gz LFOXOHFZMZAJFC-INIZCTEOSA-N 0 3 302.374 2.271 20 10 DECDHN COc1cc(C)cc(CN2C[C@@H](C)O[C@@]3(CCOC3)C2)c1O ZINC000794710595 644464616 /nfs/dbraw/zinc/46/46/16/644464616.db2.gz ZBTHTZREMLDGPI-DYVFJYSZSA-N 0 3 307.390 2.089 20 10 DECDHN C[C@H]1C[C@@H]([NH2+]CC2(S(C)(=O)=O)CC2)c2c1c(F)ccc2[O-] ZINC000794830314 644481667 /nfs/dbraw/zinc/48/16/67/644481667.db2.gz WQBKWPHSQVBPIE-GXSJLCMTSA-N 0 3 313.394 2.246 20 10 DECDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C1(S(C)(=O)=O)CC1 ZINC000797068850 644832838 /nfs/dbraw/zinc/83/28/38/644832838.db2.gz HCOFKLDTKUJNMX-QWHCGFSZSA-N 0 3 310.463 2.369 20 10 DECDHN CCCCN(CC(=O)N1CCO[C@H](C)C1)Cc1ccccc1O ZINC000801595139 645421169 /nfs/dbraw/zinc/42/11/69/645421169.db2.gz WCSCYGZFLFYZDR-OAHLLOKOSA-N 0 3 320.433 2.242 20 10 DECDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)c1[O-] ZINC000753568413 646627656 /nfs/dbraw/zinc/62/76/56/646627656.db2.gz PWEMFGXSASLZNH-ZDUSSCGKSA-N 0 3 317.838 2.411 20 10 DECDHN COc1ccc(CNCc2cnnn2-c2ccccc2)c(O)c1 ZINC000814298389 646870633 /nfs/dbraw/zinc/87/06/33/646870633.db2.gz SOPKTICHKJKAEU-UHFFFAOYSA-N 0 3 310.357 2.271 20 10 DECDHN Cc1cc(CN2CCN([C@H]3CCC[C@H]3O)CC2)ccc1N(C)C ZINC000815037897 646958568 /nfs/dbraw/zinc/95/85/68/646958568.db2.gz YUOPLAZQXIKCSY-RBUKOAKNSA-N 0 3 317.477 2.092 20 10 DECDHN CC(C)C[NH+]1CCC(NC(=O)NCc2c([O-])cccc2F)CC1 ZINC000913990244 647120615 /nfs/dbraw/zinc/12/06/15/647120615.db2.gz DMKATMUJXBRJEA-UHFFFAOYSA-N 0 3 323.412 2.451 20 10 DECDHN CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1c([O-])cccc1F ZINC000914182825 647207732 /nfs/dbraw/zinc/20/77/32/647207732.db2.gz CHLBHUUAWRYNOD-GFCCVEGCSA-N 0 3 311.401 2.307 20 10 DECDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)Cn1cccn1)C1CCCC1 ZINC000731846164 647513105 /nfs/dbraw/zinc/51/31/05/647513105.db2.gz WFKLZDJOLFNZMM-QGZVFWFLSA-N 0 3 315.417 2.394 20 10 DECDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)Cn1cccn1)C1CCCC1 ZINC000731846164 647513108 /nfs/dbraw/zinc/51/31/08/647513108.db2.gz WFKLZDJOLFNZMM-QGZVFWFLSA-N 0 3 315.417 2.394 20 10 DECDHN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CN(C)CC(C)(C)C ZINC000821807101 648112504 /nfs/dbraw/zinc/11/25/04/648112504.db2.gz MSBKZNMZQPMQEI-LBPRGKRZSA-N 0 3 308.422 2.123 20 10 DECDHN COc1ccc(N2CCN(C[C@@H](OC)C3CC3)CC2)cc1F ZINC000822682021 648260712 /nfs/dbraw/zinc/26/07/12/648260712.db2.gz SXEFMKQFSVVPBV-QGZVFWFLSA-N 0 3 308.397 2.381 20 10 DECDHN CCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CCN(C)C1 ZINC000824400905 648581651 /nfs/dbraw/zinc/58/16/51/648581651.db2.gz HIYXGPFJVBWXGV-CYBMUJFWSA-N 0 3 303.366 2.015 20 10 DECDHN CCOc1ccc(CN2CCC[C@H](NC(=O)N(C)C)C2)c(O)c1 ZINC000825278317 648735025 /nfs/dbraw/zinc/73/50/25/648735025.db2.gz BMVJTMYYTGOCSG-AWEZNQCLSA-N 0 3 321.421 2.027 20 10 DECDHN CCOc1cccc(CN2CCC[C@H](NC(=O)N(C)C)C2)c1O ZINC000825280219 648735356 /nfs/dbraw/zinc/73/53/56/648735356.db2.gz YXNVBYBKUUYDHM-AWEZNQCLSA-N 0 3 321.421 2.027 20 10 DECDHN COc1ccc(O)c(CN[C@H]2Cc3ccccc3N(C)C2=O)c1 ZINC000826902706 648944858 /nfs/dbraw/zinc/94/48/58/648944858.db2.gz LREGEZAARWBNLT-HNNXBMFYSA-N 0 3 312.369 2.078 20 10 DECDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c1[O-] ZINC000827132407 648978700 /nfs/dbraw/zinc/97/87/00/648978700.db2.gz MHPYBWLPGWYPBC-BXUZGUMPSA-N 0 3 308.809 2.455 20 10 DECDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c1[O-] ZINC000827132407 648978705 /nfs/dbraw/zinc/97/87/05/648978705.db2.gz MHPYBWLPGWYPBC-BXUZGUMPSA-N 0 3 308.809 2.455 20 10 DECDHN CCOCc1cc(CNC2(CC(=O)OC)CC2)ccc1OC ZINC000846027604 651303046 /nfs/dbraw/zinc/30/30/46/651303046.db2.gz SYMVUWJESSOTPB-UHFFFAOYSA-N 0 3 307.390 2.417 20 10 DECDHN Cc1n[nH]c(C)c1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000850406239 651922006 /nfs/dbraw/zinc/92/20/06/651922006.db2.gz YEMOOCMBIPSXCH-UHFFFAOYSA-N 0 3 314.433 2.277 20 10 DECDHN [O-]c1cccc2c1[C@@H]([NH2+]C1CCN([C@H]3CCOC3)CC1)CC2 ZINC000850554759 651952816 /nfs/dbraw/zinc/95/28/16/651952816.db2.gz FQLJXMDBOKHDAZ-HOTGVXAUSA-N 0 3 302.418 2.222 20 10 DECDHN CN(C)c1cc(F)c(CNCCSCCCO)cc1F ZINC000858129427 652260850 /nfs/dbraw/zinc/26/08/50/652260850.db2.gz RRKQNMXSNYCZRE-UHFFFAOYSA-N 0 3 304.406 2.236 20 10 DECDHN CS[C@H](CO)[C@H](C)NCc1cc(F)c(N(C)C)cc1F ZINC000858143692 652264852 /nfs/dbraw/zinc/26/48/52/652264852.db2.gz RTTMPWBCXUYWNF-LKFCYVNXSA-N 0 3 304.406 2.233 20 10 DECDHN Cc1nccnc1CCNCc1cc(F)c(N(C)C)cc1F ZINC000858167814 652270500 /nfs/dbraw/zinc/27/05/00/652270500.db2.gz IXWLZTMAYRSENE-UHFFFAOYSA-N 0 3 306.360 2.462 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]CCN(C)CC(F)F)c1[O-] ZINC000862549686 686321500 /nfs/dbraw/zinc/32/15/00/686321500.db2.gz CTLQKYNGYSPZKE-UHFFFAOYSA-N 0 3 308.756 2.341 20 10 DECDHN C[C@@H]1C[C@H]([NH2+]C2CN(c3ccncn3)C2)c2c1c(F)ccc2[O-] ZINC000866496758 687592133 /nfs/dbraw/zinc/59/21/33/687592133.db2.gz WYTMQFNTMFPASX-MFKMUULPSA-N 0 3 314.364 2.348 20 10 DECDHN CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1c(C)cccc1[O-])CC2 ZINC000876763861 689929672 /nfs/dbraw/zinc/92/96/72/689929672.db2.gz MFLLYRWTGZJXAR-IAGOWNOFSA-N 0 3 305.418 2.453 20 10 DECDHN Cc1cccc([O-])c1C[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000876972536 689986664 /nfs/dbraw/zinc/98/66/64/689986664.db2.gz VIDDJGDWULCNMO-AWEZNQCLSA-N 0 3 305.349 2.369 20 10 DECDHN COc1cccc(C(=O)NCC[NH2+]Cc2c(C)cccc2[O-])c1 ZINC000876981597 689989208 /nfs/dbraw/zinc/98/92/08/689989208.db2.gz WNCULCCUJFOGQM-UHFFFAOYSA-N 0 3 314.385 2.229 20 10 DECDHN Cc1ccc(C[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)c([O-])c1 ZINC000877126170 690024384 /nfs/dbraw/zinc/02/43/84/690024384.db2.gz FWZWLMRYCORMAN-SJLPKXTDSA-N 0 3 301.386 2.275 20 10 DECDHN CCc1cccc(CNCc2n[nH]c(C3CCOCC3)n2)c1O ZINC000877676679 690187127 /nfs/dbraw/zinc/18/71/27/690187127.db2.gz BJCOOWAFLYLLBV-UHFFFAOYSA-N 0 3 316.405 2.257 20 10 DECDHN CCOC(=O)[C@@]1(C[NH2+]Cc2ccc(C)cc2[O-])CCCOC1 ZINC000877698058 690195478 /nfs/dbraw/zinc/19/54/78/690195478.db2.gz GNFOQOGCGITFBZ-QGZVFWFLSA-N 0 3 307.390 2.150 20 10 DECDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)C[C@@H](O)c1ccccc1 ZINC000878241916 690355826 /nfs/dbraw/zinc/35/58/26/690355826.db2.gz KGNDOSFUQBIHSS-SJLPKXTDSA-N 0 3 301.386 2.309 20 10 DECDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)C[C@@H](O)c1ccccc1 ZINC000878241916 690355827 /nfs/dbraw/zinc/35/58/27/690355827.db2.gz KGNDOSFUQBIHSS-SJLPKXTDSA-N 0 3 301.386 2.309 20 10 DECDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)NC(=O)NC(C)(C)C ZINC000879651331 690699480 /nfs/dbraw/zinc/69/94/80/690699480.db2.gz RJSXGOQLYIHWBY-WDEREUQCSA-N 0 3 307.394 2.056 20 10 DECDHN C[C@H](NC(=O)Nc1ccnn1CCN(C)C)c1ccccc1O ZINC000879673902 690704110 /nfs/dbraw/zinc/70/41/10/690704110.db2.gz RXZSROSFMMPGNY-LBPRGKRZSA-N 0 3 317.393 2.033 20 10 DECDHN CC(=O)c1cc(F)cc(CN(CCC[NH3+])CC(F)(F)F)c1[O-] ZINC000883443381 691511471 /nfs/dbraw/zinc/51/14/71/691511471.db2.gz NUHCKHMDTOENEY-UHFFFAOYSA-N 0 3 322.302 2.447 20 10 DECDHN CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2c([O-])cccc2F)CC1 ZINC000886522321 692100667 /nfs/dbraw/zinc/10/06/67/692100667.db2.gz HDTQEMWXQQMCDQ-LSDHHAIUSA-N 0 3 323.456 2.456 20 10 DECDHN Cc1cc([C@@H](N)CC(=O)NCc2ccc(N)cc2)cc(Cl)n1 ZINC001356228114 1152065973 /nfs/dbraw/zinc/06/59/73/1152065973.db2.gz OKLODJOXHGWLOW-AWEZNQCLSA-N 0 3 318.808 2.332 20 10 DECDHN C[C@@H](CN1CCCCC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001441176899 1181884378 /nfs/dbraw/zinc/88/43/78/1181884378.db2.gz OFBCIQHJDGGTBX-LBPRGKRZSA-N 0 3 317.393 2.453 20 10 DECDHN COC[C@@H]1CN(Cc2cccc(F)c2O)Cc2cn(C)nc21 ZINC001138125191 796167445 /nfs/dbraw/zinc/16/74/45/796167445.db2.gz KLBAOOZCVUPLQF-ZDUSSCGKSA-N 0 3 305.353 2.011 20 10 DECDHN CCN(CC)c1ccc(CN2C[C@@H]3C[C@H]2CN3C)c(OC)c1 ZINC001138392142 796211775 /nfs/dbraw/zinc/21/17/75/796211775.db2.gz RRXCDLFNCQKJNP-IRXDYDNUSA-N 0 3 303.450 2.430 20 10 DECDHN Cc1ccnc(O[C@@H]2CC[N@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC001140056365 796471146 /nfs/dbraw/zinc/47/11/46/796471146.db2.gz SUMOYRFPAWVSBR-CQSZACIVSA-N 0 3 303.337 2.283 20 10 DECDHN Cc1ccnc(O[C@@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC001140056365 796471152 /nfs/dbraw/zinc/47/11/52/796471152.db2.gz SUMOYRFPAWVSBR-CQSZACIVSA-N 0 3 303.337 2.283 20 10 DECDHN CCN1CCN(c2ccc(CN3CCC(=O)C[C@@H]3C)cc2)CC1 ZINC001140302495 796503064 /nfs/dbraw/zinc/50/30/64/796503064.db2.gz SBOYKFVDCZPZFF-INIZCTEOSA-N 0 3 315.461 2.382 20 10 DECDHN Cc1ccc(N2CCN(Cc3ccc(O)c(C)c3O)CC2)nc1 ZINC001140746270 796566766 /nfs/dbraw/zinc/56/67/66/796566766.db2.gz XMMLFMKJXGDBKE-UHFFFAOYSA-N 0 3 313.401 2.432 20 10 DECDHN CCN(CC)c1ccc(CN2CCO[C@]3(CCOC3)C2)c(O)c1 ZINC001140850497 796582828 /nfs/dbraw/zinc/58/28/28/796582828.db2.gz NBVCDCHQDGHDRK-GOSISDBHSA-N 0 3 320.433 2.230 20 10 DECDHN COc1ccc(O)c(CN2C[C@H](CO)[C@@H](C(F)(F)F)C2)c1 ZINC001203670337 796591298 /nfs/dbraw/zinc/59/12/98/796591298.db2.gz NZNADXUHVCDUCL-PWSUYJOCSA-N 0 3 305.296 2.003 20 10 DECDHN Cc1ccc(CN2CCN(CCc3ccccn3)CC2)c(O)c1 ZINC001140949599 796605657 /nfs/dbraw/zinc/60/56/57/796605657.db2.gz FVBBBTFHZMHJKQ-UHFFFAOYSA-N 0 3 311.429 2.456 20 10 DECDHN CN(C)C[C@@H]1CN(Cc2cccc(C(C)(C)C)c2O)CCO1 ZINC001143103799 796802809 /nfs/dbraw/zinc/80/28/09/796802809.db2.gz KHDHVZVXIPPUHM-OAHLLOKOSA-N 0 3 306.450 2.452 20 10 DECDHN C[C@H](NC(=S)NCCN1CCCCC1)c1ccccc1O ZINC001200441550 798629176 /nfs/dbraw/zinc/62/91/76/798629176.db2.gz FVUUDIZMQYWVIG-ZDUSSCGKSA-N 0 3 307.463 2.403 20 10 DECDHN COc1cccnc1O[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC001203560827 800081118 /nfs/dbraw/zinc/08/11/18/800081118.db2.gz GZYOIRDBFQZDBR-AWEZNQCLSA-N 0 3 300.358 2.449 20 10 DECDHN COc1cccnc1O[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203560827 800081127 /nfs/dbraw/zinc/08/11/27/800081127.db2.gz GZYOIRDBFQZDBR-AWEZNQCLSA-N 0 3 300.358 2.449 20 10 DECDHN COc1ccc(C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c([O-])c1 ZINC001203622759 800092042 /nfs/dbraw/zinc/09/20/42/800092042.db2.gz BLOLUVGATPJBGP-IBGZPJMESA-N 0 3 324.380 2.497 20 10 DECDHN COc1ccc(C[N@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c([O-])c1 ZINC001203622759 800092048 /nfs/dbraw/zinc/09/20/48/800092048.db2.gz BLOLUVGATPJBGP-IBGZPJMESA-N 0 3 324.380 2.497 20 10 DECDHN COc1ccc(CN2CCCN(C(=O)C3CCC3)CC2)c(O)c1 ZINC001203627422 800094393 /nfs/dbraw/zinc/09/43/93/800094393.db2.gz CWRMQTLKTWODIO-UHFFFAOYSA-N 0 3 318.417 2.235 20 10 DECDHN CC[N@@H+]1CCO[C@@H]2CN(Cc3cc(Cl)ccc3[O-])C[C@@H]2C1 ZINC001203659395 800101227 /nfs/dbraw/zinc/10/12/27/800101227.db2.gz UTJDVEQGGZLKFV-XJKSGUPXSA-N 0 3 310.825 2.198 20 10 DECDHN CC[N@H+]1CCO[C@@H]2CN(Cc3cc(Cl)ccc3[O-])C[C@@H]2C1 ZINC001203659395 800101228 /nfs/dbraw/zinc/10/12/28/800101228.db2.gz UTJDVEQGGZLKFV-XJKSGUPXSA-N 0 3 310.825 2.198 20 10 DECDHN COc1ccc(O)c(CN2CCC[C@@H](Oc3ncccn3)C2)c1 ZINC001203681286 800105296 /nfs/dbraw/zinc/10/52/96/800105296.db2.gz SSZNRTYIMOAEQZ-OAHLLOKOSA-N 0 3 315.373 2.234 20 10 DECDHN COc1ccc(O)c(CN2CCC[C@@H](Oc3cnccn3)C2)c1 ZINC001203681360 800105436 /nfs/dbraw/zinc/10/54/36/800105436.db2.gz UXPMVIJBZGEULT-OAHLLOKOSA-N 0 3 315.373 2.234 20 10 DECDHN COc1ccc(O)c(CN2CC[C@@H](Oc3nccc(C)n3)C2)c1 ZINC001203684246 800106332 /nfs/dbraw/zinc/10/63/32/800106332.db2.gz PTIDANUNKQIZDQ-OAHLLOKOSA-N 0 3 315.373 2.153 20 10 DECDHN COC(=O)CCN(Cc1ccco1)Cc1ccc(O)cc1O ZINC001204274672 800197708 /nfs/dbraw/zinc/19/77/08/800197708.db2.gz FMKYKUPAFIPJRB-UHFFFAOYSA-N 0 3 305.330 2.256 20 10 DECDHN O=C(NC1CC[NH+](Cc2ccc(O)cc2[O-])CC1)C1CCCC1 ZINC001204274522 800197836 /nfs/dbraw/zinc/19/78/36/800197836.db2.gz CVTBVBIBRWZUNU-UHFFFAOYSA-N 0 3 318.417 2.369 20 10 DECDHN [O-]c1cc(O)ccc1C[N@@H+]1CCCN(c2ccc(F)cn2)CC1 ZINC001204272285 800197880 /nfs/dbraw/zinc/19/78/80/800197880.db2.gz MBUIDBDEHIUTKZ-UHFFFAOYSA-N 0 3 317.364 2.344 20 10 DECDHN [O-]c1cc(O)ccc1C[N@H+]1CCCN(c2ccc(F)cn2)CC1 ZINC001204272285 800197884 /nfs/dbraw/zinc/19/78/84/800197884.db2.gz MBUIDBDEHIUTKZ-UHFFFAOYSA-N 0 3 317.364 2.344 20 10 DECDHN CN(C)C(=O)[C@@H]1CCCN1Cc1ccc(N2CCCC2)cc1 ZINC001204322966 800204835 /nfs/dbraw/zinc/20/48/35/800204835.db2.gz WYYANVKGPPWAFI-KRWDZBQOSA-N 0 3 301.434 2.339 20 10 DECDHN COc1cc(C)c(CN2CC[C@@](O)(C(F)(F)F)C2)c(O)c1 ZINC001205411361 800354776 /nfs/dbraw/zinc/35/47/76/800354776.db2.gz BPJRZWMQFFGTIT-ZDUSSCGKSA-N 0 3 305.296 2.208 20 10 DECDHN COC[C@H]1CN(Cc2c(C)cc(C)cc2O)Cc2cn(C)nc21 ZINC001231843659 801735607 /nfs/dbraw/zinc/73/56/07/801735607.db2.gz CXRGKVALNWTJSL-OAHLLOKOSA-N 0 3 315.417 2.488 20 10 DECDHN COc1cc(N(C)C)ccc1CN1CC[C@@H](c2nc(C)no2)C1 ZINC001231854269 801739266 /nfs/dbraw/zinc/73/92/66/801739266.db2.gz DOVFOUAJROPFAA-CQSZACIVSA-N 0 3 316.405 2.442 20 10 DECDHN COc1ccc2c(c1O[C@H]1CN[C@@H]1C)C(=O)c1ccccc1C2=O ZINC001218387541 802176736 /nfs/dbraw/zinc/17/67/36/802176736.db2.gz QECDPNVZMYEUFY-BMIGLBTASA-N 0 3 323.348 2.210 20 10 DECDHN O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1CCCC[NH2+]1 ZINC001220212301 802427524 /nfs/dbraw/zinc/42/75/24/802427524.db2.gz DBFUGJAGJDXBSS-ZDUSSCGKSA-N 0 3 319.792 2.352 20 10 DECDHN CCOC(=O)[C@@H]1CNCCN1Cc1ccc(C(C)(C)C)cc1O ZINC001222079778 802638498 /nfs/dbraw/zinc/63/84/98/802638498.db2.gz FTUNWFIVSXMTEQ-HNNXBMFYSA-N 0 3 320.433 2.027 20 10 DECDHN CN(C)[C@@H](CNC(=O)NCc1ccc(N)cc1)c1ccccc1 ZINC001335362510 1150399409 /nfs/dbraw/zinc/39/94/09/1150399409.db2.gz YMCSZDRIIXTPGS-KRWDZBQOSA-N 0 3 312.417 2.371 20 10 DECDHN C[C@@H]1CCCN(CCNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001464143792 1059082681 /nfs/dbraw/zinc/08/26/81/1059082681.db2.gz CFNVGITVMDNHEL-GFCCVEGCSA-N 0 3 317.393 2.311 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CCOC3(CCOCC3)CC2)c([O-])c1 ZINC001621276476 1078171989 /nfs/dbraw/zinc/17/19/89/1078171989.db2.gz HQZJKMCRHALSHX-UHFFFAOYSA-N 0 3 321.417 2.481 20 10 DECDHN COc1cc(C)c(C[N@H+]2CCOC3(CCOCC3)CC2)c([O-])c1 ZINC001621276476 1078171991 /nfs/dbraw/zinc/17/19/91/1078171991.db2.gz HQZJKMCRHALSHX-UHFFFAOYSA-N 0 3 321.417 2.481 20 10 DECDHN O=C1N(CC(F)F)CC[C@]12CCCN2Cc1ccccc1O ZINC001272618366 1079015682 /nfs/dbraw/zinc/01/56/82/1079015682.db2.gz GNCSKUAXYJVYCT-MRXNPFEDSA-N 0 3 310.344 2.224 20 10 DECDHN CC(C)N1C[C@H](NCc2ccc(N3CCCC3)cc2)CC1=O ZINC001620806962 1076131845 /nfs/dbraw/zinc/13/18/45/1076131845.db2.gz FNHYNXCGQUSZDI-MRXNPFEDSA-N 0 3 301.434 2.386 20 10 DECDHN Cc1ccc(O)c(C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001592186077 1076871631 /nfs/dbraw/zinc/87/16/31/1076871631.db2.gz KOUAQLOOQALFNP-UHFFFAOYSA-N 0 3 313.336 2.310 20 10 DECDHN C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609778524 1077921322 /nfs/dbraw/zinc/92/13/22/1077921322.db2.gz NQHXZJORYMRQLV-IGHBBLSQSA-N 0 3 304.390 2.129 20 10 DECDHN CN(C)c1ccc(/C=C/CN2CCC([C@H](F)C(N)=O)CC2)cc1 ZINC001653047435 1079910727 /nfs/dbraw/zinc/91/07/27/1079910727.db2.gz FZVBDILSAISLMD-IDOMTICXSA-N 0 3 319.424 2.301 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c([O-])c1 ZINC001658912022 1080221145 /nfs/dbraw/zinc/22/11/45/1080221145.db2.gz YUGQFMVATFZSEE-HOCLYGCPSA-N 0 3 309.431 2.416 20 10 DECDHN COc1cc(C)c(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c([O-])c1 ZINC001658912022 1080221151 /nfs/dbraw/zinc/22/11/51/1080221151.db2.gz YUGQFMVATFZSEE-HOCLYGCPSA-N 0 3 309.431 2.416 20 10 DECDHN COc1cc(C)c(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c([O-])c1 ZINC001659762142 1080249840 /nfs/dbraw/zinc/24/98/40/1080249840.db2.gz AVPYJAUQZWVUFN-CABCVRRESA-N 0 3 320.433 2.004 20 10 DECDHN COc1cc(C)c(C[N@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c([O-])c1 ZINC001659762142 1080249845 /nfs/dbraw/zinc/24/98/45/1080249845.db2.gz AVPYJAUQZWVUFN-CABCVRRESA-N 0 3 320.433 2.004 20 10 DECDHN O=C([C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccccc1[O-])N1CC=CC1 ZINC001277445763 1083974323 /nfs/dbraw/zinc/97/43/23/1083974323.db2.gz HRJFVSPQMCWPEG-IDCJVQTKSA-N 0 3 312.413 2.295 20 10 DECDHN CCN1CCN(c2ccc(O[C@@H]3C(=O)OCC3(C)C)cc2)CC1 ZINC001234657859 1084190593 /nfs/dbraw/zinc/19/05/93/1084190593.db2.gz KDCHSMKKQULHSW-MRXNPFEDSA-N 0 3 318.417 2.159 20 10 DECDHN O=C([O-])c1ccc([O-])c(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1 ZINC001235238643 1084356476 /nfs/dbraw/zinc/35/64/76/1084356476.db2.gz GHKTYOITFDNGLI-INIZCTEOSA-N 0 3 318.417 2.445 20 10 DECDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c([O-])c1 ZINC001235677584 1084495624 /nfs/dbraw/zinc/49/56/24/1084495624.db2.gz FSDNHMIRTPHVQS-WFASDCNBSA-N 0 3 302.418 2.258 20 10 DECDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c([O-])c1 ZINC001235677584 1084495629 /nfs/dbraw/zinc/49/56/29/1084495629.db2.gz FSDNHMIRTPHVQS-WFASDCNBSA-N 0 3 302.418 2.258 20 10 DECDHN CCCCN1CC[C@]2(CC[N@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001272983082 1085781068 /nfs/dbraw/zinc/78/10/68/1085781068.db2.gz OVBKVHPGXIJTAH-SFHVURJKSA-N 0 3 318.417 2.322 20 10 DECDHN CCCCN1CC[C@]2(CC[N@@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001272983082 1085781075 /nfs/dbraw/zinc/78/10/75/1085781075.db2.gz OVBKVHPGXIJTAH-SFHVURJKSA-N 0 3 318.417 2.322 20 10 DECDHN [O-]c1ccccc1C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C1CCCC1 ZINC001275267590 1091644660 /nfs/dbraw/zinc/64/46/60/1091644660.db2.gz SFMOUQCNJSBAQK-CALCHBBNSA-N 0 3 302.418 2.220 20 10 DECDHN [O-]c1ccccc1C[N@H+]1C[C@@H]2COC[C@H](C1)N2C1CCCC1 ZINC001275267590 1091644665 /nfs/dbraw/zinc/64/46/65/1091644665.db2.gz SFMOUQCNJSBAQK-CALCHBBNSA-N 0 3 302.418 2.220 20 10 DECDHN Oc1ccc(CN2CC[C@H]3CN(Cc4ccc[nH]4)C[C@H]32)cc1O ZINC001275821527 1092180519 /nfs/dbraw/zinc/18/05/19/1092180519.db2.gz SJUDSKSPNYISSC-GOEBONIOSA-N 0 3 313.401 2.132 20 10 DECDHN Oc1ccc(F)cc1CN1C[C@@H]2CN(C3CCCC3)C[C@H](C1)O2 ZINC001275913125 1092299324 /nfs/dbraw/zinc/29/93/24/1092299324.db2.gz ILKGDPPXGBHTJB-CALCHBBNSA-N 0 3 320.408 2.359 20 10 DECDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc[nH]1 ZINC001275952555 1092369435 /nfs/dbraw/zinc/36/94/35/1092369435.db2.gz HJVBDDQAJGJTMI-IRXDYDNUSA-N 0 3 313.401 2.275 20 10 DECDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc[nH]1 ZINC001275952555 1092369442 /nfs/dbraw/zinc/36/94/42/1092369442.db2.gz HJVBDDQAJGJTMI-IRXDYDNUSA-N 0 3 313.401 2.275 20 10 DECDHN CCc1ccc(C[NH+]2CCC(N3CCOC3=O)CC2)c([O-])c1 ZINC001236791476 1138429565 /nfs/dbraw/zinc/42/95/65/1138429565.db2.gz HQRWKGWTIDVBDI-UHFFFAOYSA-N 0 3 304.390 2.371 20 10 DECDHN COc1cc(C)c(C[NH+]2CCC(NC(=O)C(C)C)CC2)c([O-])c1 ZINC001236813401 1138437424 /nfs/dbraw/zinc/43/74/24/1138437424.db2.gz KBJKALNGJVIRRU-UHFFFAOYSA-N 0 3 320.433 2.446 20 10 DECDHN CC(C)(C)[N@@H+](Cc1cc2ccccc2cc1[O-])C[C@@H](O)CO ZINC001236825721 1138440953 /nfs/dbraw/zinc/44/09/53/1138440953.db2.gz DMUCVXAJMQTAKD-MRXNPFEDSA-N 0 3 303.402 2.499 20 10 DECDHN CC(C)(C)[N@H+](Cc1cc2ccccc2cc1[O-])C[C@@H](O)CO ZINC001236825721 1138440956 /nfs/dbraw/zinc/44/09/56/1138440956.db2.gz DMUCVXAJMQTAKD-MRXNPFEDSA-N 0 3 303.402 2.499 20 10 DECDHN O=c1[nH]c(=O)c2c([nH]1)CC[N@@H+](Cc1cc3ccccc3cc1[O-])C2 ZINC001236833070 1138441656 /nfs/dbraw/zinc/44/16/56/1138441656.db2.gz NVXBZDAXSJAHTH-UHFFFAOYSA-N 0 3 323.352 2.305 20 10 DECDHN O=c1[nH]c(=O)c2c([nH]1)CC[N@H+](Cc1cc3ccccc3cc1[O-])C2 ZINC001236833070 1138441659 /nfs/dbraw/zinc/44/16/59/1138441659.db2.gz NVXBZDAXSJAHTH-UHFFFAOYSA-N 0 3 323.352 2.305 20 10 DECDHN CC[N@H+](CCC(N)=O)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237055576 1138491335 /nfs/dbraw/zinc/49/13/35/1138491335.db2.gz GPCDMQGOLQKGQZ-UHFFFAOYSA-N 0 3 320.311 2.031 20 10 DECDHN CC[N@@H+](CCC(N)=O)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237055576 1138491348 /nfs/dbraw/zinc/49/13/48/1138491348.db2.gz GPCDMQGOLQKGQZ-UHFFFAOYSA-N 0 3 320.311 2.031 20 10 DECDHN Cc1cc(N2CCN(Cc3c(C)cccc3O)CC2)nc(C)n1 ZINC001237489660 1138655997 /nfs/dbraw/zinc/65/59/97/1138655997.db2.gz JPHNYSFTKQGYML-UHFFFAOYSA-N 0 3 312.417 2.430 20 10 DECDHN CCCCN1CCN(Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237676599 1138749456 /nfs/dbraw/zinc/74/94/56/1138749456.db2.gz QGIKONQIGWLINC-UHFFFAOYSA-N 0 3 308.422 2.327 20 10 DECDHN Cc1cc(O)c(CN2CCN3CC[C@@H]3C2)cc1Br ZINC001237684189 1138755885 /nfs/dbraw/zinc/75/58/85/1138755885.db2.gz HQZCWDFQRJIELU-GFCCVEGCSA-N 0 3 311.223 2.353 20 10 DECDHN CCCN1CCCC[C@H]1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC001324120225 1142011251 /nfs/dbraw/zinc/01/12/51/1142011251.db2.gz AYNSJPDPEJHJNI-ZFWWWQNUSA-N 0 3 320.433 2.410 20 10 DECDHN Cc1ccc(OC[C@H](O)C[N@@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001253826939 1142962639 /nfs/dbraw/zinc/96/26/39/1142962639.db2.gz CCIYSJIJPQHLAC-MRXNPFEDSA-N 0 3 313.397 2.499 20 10 DECDHN Cc1ccc(OC[C@H](O)C[N@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001253826939 1142962674 /nfs/dbraw/zinc/96/26/74/1142962674.db2.gz CCIYSJIJPQHLAC-MRXNPFEDSA-N 0 3 313.397 2.499 20 10 DECDHN COc1cc(C)c(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)c([O-])c1 ZINC001308871362 1147488354 /nfs/dbraw/zinc/48/83/54/1147488354.db2.gz CTYDJIIGYCPEOX-CYBMUJFWSA-N 0 3 320.433 2.446 20 10 DECDHN COc1cc(C)c(C[NH2+]CCc2ccc(OC)nc2)c([O-])c1 ZINC001308893591 1147489198 /nfs/dbraw/zinc/48/91/98/1147489198.db2.gz WOXZBWPVPPCGJA-UHFFFAOYSA-N 0 3 302.374 2.445 20 10 DECDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)C(=O)NCC(F)(F)F ZINC001325580266 1147954945 /nfs/dbraw/zinc/95/49/45/1147954945.db2.gz AKTAPYSZRYDMPN-NSHDSACASA-N 0 3 317.355 2.218 20 10 DECDHN COCC[N@H+](CCO)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000093005749 355662940 /nfs/dbraw/zinc/66/29/40/355662940.db2.gz QSQLHTVDGWKCHE-UHFFFAOYSA-N 0 3 301.386 2.500 20 10 DECDHN COCC[N@@H+](CCO)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000093005749 355662943 /nfs/dbraw/zinc/66/29/43/355662943.db2.gz QSQLHTVDGWKCHE-UHFFFAOYSA-N 0 3 301.386 2.500 20 10 DECDHN CN(C)c1ccc2c(c1)OCCN2C(=O)C1(N)CCCCC1 ZINC000581133797 357137353 /nfs/dbraw/zinc/13/73/53/357137353.db2.gz FGWMDXKHMNIJBE-UHFFFAOYSA-N 0 3 303.406 2.140 20 10 DECDHN O=C(c1cccc2c1CCNC2)N1CCc2c1cccc2[N+](=O)[O-] ZINC000595932617 358583361 /nfs/dbraw/zinc/58/33/61/358583361.db2.gz BFRIZVMNLVZGNM-UHFFFAOYSA-N 0 3 323.352 2.443 20 10 DECDHN CCOc1ccc(O)c(CN2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000091856652 193118981 /nfs/dbraw/zinc/11/89/81/193118981.db2.gz YFQUYWQZROOXJP-GOEBONIOSA-N 0 3 309.431 2.497 20 10 DECDHN CCOc1ccc([O-])c(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000091856652 193118983 /nfs/dbraw/zinc/11/89/83/193118983.db2.gz YFQUYWQZROOXJP-GOEBONIOSA-N 0 3 309.431 2.497 20 10 DECDHN CCOc1ccc([O-])c(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000091856652 193118984 /nfs/dbraw/zinc/11/89/84/193118984.db2.gz YFQUYWQZROOXJP-GOEBONIOSA-N 0 3 309.431 2.497 20 10 DECDHN CCCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)NC)C2)c([O-])c1 ZINC000093361094 193238758 /nfs/dbraw/zinc/23/87/58/193238758.db2.gz NYKOCIVIWALPBK-AWEZNQCLSA-N 0 3 306.406 2.139 20 10 DECDHN CCCOc1ccc(C[N@H+]2CCC[C@H](C(=O)NC)C2)c([O-])c1 ZINC000093361094 193238760 /nfs/dbraw/zinc/23/87/60/193238760.db2.gz NYKOCIVIWALPBK-AWEZNQCLSA-N 0 3 306.406 2.139 20 10 DECDHN COCCOCCOCCC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000274647064 130252778 /nfs/dbraw/zinc/25/27/78/130252778.db2.gz KTCUJSOCGYCSKS-OAHLLOKOSA-N 0 3 311.422 2.421 20 10 DECDHN Cc1cccc(CNCc2cccc(N3CCOCC3)n2)c1O ZINC000274891357 130270047 /nfs/dbraw/zinc/27/00/47/130270047.db2.gz DPJYCFJGKAAXBC-UHFFFAOYSA-N 0 3 313.401 2.222 20 10 DECDHN Cc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c([O-])c1O ZINC000288579223 131331746 /nfs/dbraw/zinc/33/17/46/131331746.db2.gz XHLUEBLAFHHHNV-STQMWFEESA-N 0 3 304.390 2.105 20 10 DECDHN CN(C)c1ccc(CN(C)CCC(N)=O)c(C(F)(F)F)c1 ZINC000289542529 131394822 /nfs/dbraw/zinc/39/48/22/131394822.db2.gz IBWPVUHVMXPQCQ-UHFFFAOYSA-N 0 3 303.328 2.079 20 10 DECDHN COc1ccc(N2CCN([C@H]3Cc4ccccc4[C@@H]3O)CC2)cc1 ZINC000026417420 401840427 /nfs/dbraw/zinc/84/04/27/401840427.db2.gz KRNQVHXWRABQQP-PMACEKPBSA-N 0 3 324.424 2.476 20 10 DECDHN C[C@H]1C[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)CN1C1CC1 ZINC000119854420 401968896 /nfs/dbraw/zinc/96/88/96/401968896.db2.gz MRSFDAGJGJQZAR-DZGCQCFKSA-N 0 3 316.449 2.177 20 10 DECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](C(C)C)N2CCOCC2)c1 ZINC000184915471 402309167 /nfs/dbraw/zinc/30/91/67/402309167.db2.gz LTPPNSAZHZYAJD-WMLDXEAASA-N 0 3 322.449 2.408 20 10 DECDHN Cc1cccc(CN(CCO)CCOCC(F)(F)F)c1O ZINC000180184731 402609779 /nfs/dbraw/zinc/60/97/79/402609779.db2.gz VQUBRLXSRNCINC-UHFFFAOYSA-N 0 3 307.312 2.074 20 10 DECDHN Cc1cccc(C[N@H+](CCO)CCOCC(F)(F)F)c1[O-] ZINC000180184731 402609780 /nfs/dbraw/zinc/60/97/80/402609780.db2.gz VQUBRLXSRNCINC-UHFFFAOYSA-N 0 3 307.312 2.074 20 10 DECDHN Cc1cccc(C[N@@H+](CCO)CCOCC(F)(F)F)c1[O-] ZINC000180184731 402609783 /nfs/dbraw/zinc/60/97/83/402609783.db2.gz VQUBRLXSRNCINC-UHFFFAOYSA-N 0 3 307.312 2.074 20 10 DECDHN CCOCc1cc(CNC[C@@](C)(O)CSC)ccc1OC ZINC000172634876 402667342 /nfs/dbraw/zinc/66/73/42/402667342.db2.gz SQAJFWWUGFQEOF-MRXNPFEDSA-N 0 3 313.463 2.435 20 10 DECDHN O=C(NCCCCC[NH+]1CCCCC1)c1cccc(O)c1[O-] ZINC000193063240 402763179 /nfs/dbraw/zinc/76/31/79/402763179.db2.gz TYWQMMBQCPGCAW-UHFFFAOYSA-N 0 3 306.406 2.484 20 10 DECDHN COc1c([O-])c(C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000278472483 402866546 /nfs/dbraw/zinc/86/65/46/402866546.db2.gz HOOOCSJVROVMDA-CHWSQXEVSA-N 0 3 323.393 2.271 20 10 DECDHN COc1c([O-])c(CN[C@@H]2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000278472483 402866547 /nfs/dbraw/zinc/86/65/47/402866547.db2.gz HOOOCSJVROVMDA-CHWSQXEVSA-N 0 3 323.393 2.271 20 10 DECDHN CN(C)c1ccc(CN2CC[C@@H](C(N)=O)C2)c(C(F)(F)F)c1 ZINC000279708448 402961037 /nfs/dbraw/zinc/96/10/37/402961037.db2.gz SQTRPQNICCLEHG-LLVKDONJSA-N 0 3 315.339 2.079 20 10 DECDHN CCCOc1ccc(C[N@@H+]2CC[C@](C)(C(=O)NC)C2)c([O-])c1 ZINC000281249259 403061924 /nfs/dbraw/zinc/06/19/24/403061924.db2.gz XEGYTHOEEUIXAT-KRWDZBQOSA-N 0 3 306.406 2.139 20 10 DECDHN CCCOc1ccc(C[N@H+]2CC[C@](C)(C(=O)NC)C2)c([O-])c1 ZINC000281249259 403061925 /nfs/dbraw/zinc/06/19/25/403061925.db2.gz XEGYTHOEEUIXAT-KRWDZBQOSA-N 0 3 306.406 2.139 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]CC2([S@@](C)=O)CC2)c1[O-] ZINC000281679620 403081073 /nfs/dbraw/zinc/08/10/73/403081073.db2.gz FENBICZWWBEEOF-LJQANCHMSA-N 0 3 303.811 2.055 20 10 DECDHN CCN(C)c1ccc([C@@H](C)NC[C@H](O)c2cnn(C)c2)cc1 ZINC000268925999 403121230 /nfs/dbraw/zinc/12/12/30/403121230.db2.gz WAMHFEVACCZEDX-DYVFJYSZSA-N 0 3 302.422 2.260 20 10 DECDHN COC(=O)[C@@H]1CCN(Cc2cc(OC)c(OC)cc2O)C[C@H]1C ZINC000276381412 403169033 /nfs/dbraw/zinc/16/90/33/403169033.db2.gz AQYKOYRKUQKWEJ-DGCLKSJQSA-N 0 3 323.389 2.040 20 10 DECDHN COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000271162598 403271344 /nfs/dbraw/zinc/27/13/44/403271344.db2.gz YLDDEVZNFIPEGT-GJZGRUSLSA-N 0 3 320.433 2.064 20 10 DECDHN COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000271162598 403271345 /nfs/dbraw/zinc/27/13/45/403271345.db2.gz YLDDEVZNFIPEGT-GJZGRUSLSA-N 0 3 320.433 2.064 20 10 DECDHN Cc1cc(C)c([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)c([O-])c1 ZINC000293882829 403590691 /nfs/dbraw/zinc/59/06/91/403590691.db2.gz VMBCMOGSNFVFJJ-SNVBAGLBSA-N 0 3 304.312 2.338 20 10 DECDHN Cc1cc(C)c([C@@H](C)NCC(=O)NCC(F)(F)F)c(O)c1 ZINC000293882829 403590693 /nfs/dbraw/zinc/59/06/93/403590693.db2.gz VMBCMOGSNFVFJJ-SNVBAGLBSA-N 0 3 304.312 2.338 20 10 DECDHN COCCOC1(C[NH2+]Cc2cccc(C)c2[O-])CCOCC1 ZINC000294904200 403737769 /nfs/dbraw/zinc/73/77/69/403737769.db2.gz XMTCTFPCNFJFDF-UHFFFAOYSA-N 0 3 309.406 2.002 20 10 DECDHN O[C@H](CNCc1ccc2c(c1)CCO2)Cc1cccc(F)c1 ZINC000295046823 403742426 /nfs/dbraw/zinc/74/24/26/403742426.db2.gz FHONTNAOSPFOLB-KRWDZBQOSA-N 0 3 301.361 2.454 20 10 DECDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+][C@@H]2CCOC2)C1 ZINC000361781760 403861985 /nfs/dbraw/zinc/86/19/85/403861985.db2.gz DPBFFVDMQSAJLQ-LSDHHAIUSA-N 0 3 310.825 2.389 20 10 DECDHN CC(C)[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)N1CCN(C)CC1 ZINC000295909313 404019009 /nfs/dbraw/zinc/01/90/09/404019009.db2.gz JCZXMMUUZGFQCX-IRXDYDNUSA-N 0 3 317.477 2.241 20 10 DECDHN COc1c([O-])c(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000365821538 404726417 /nfs/dbraw/zinc/72/64/17/404726417.db2.gz LGGTYWWYMGGKSK-OLZOCXBDSA-N 0 3 321.377 2.025 20 10 DECDHN COc1c([O-])c(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000365821538 404726421 /nfs/dbraw/zinc/72/64/21/404726421.db2.gz LGGTYWWYMGGKSK-OLZOCXBDSA-N 0 3 321.377 2.025 20 10 DECDHN COc1cccc(CN2C[C@H](C)O[C@]3(CCCOC3)C2)c1O ZINC000366462592 404796049 /nfs/dbraw/zinc/79/60/49/404796049.db2.gz LSKKTNGYPMEUHS-SUMWQHHRSA-N 0 3 307.390 2.171 20 10 DECDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N(C)Cc1ccccc1O ZINC000268185976 225377955 /nfs/dbraw/zinc/37/79/55/225377955.db2.gz UKVFIYAUNKHPGW-IUODEOHRSA-N 0 3 303.406 2.016 20 10 DECDHN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000377394609 227190258 /nfs/dbraw/zinc/19/02/58/227190258.db2.gz YDGLKRLAEBMTOG-MNOVXSKESA-N 0 3 314.788 2.138 20 10 DECDHN [O-]c1ccc(Cl)c(F)c1CNC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000377394609 227190263 /nfs/dbraw/zinc/19/02/63/227190263.db2.gz YDGLKRLAEBMTOG-MNOVXSKESA-N 0 3 314.788 2.138 20 10 DECDHN [O-]c1ccc(Cl)c(F)c1CNC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000377394609 227190267 /nfs/dbraw/zinc/19/02/67/227190267.db2.gz YDGLKRLAEBMTOG-MNOVXSKESA-N 0 3 314.788 2.138 20 10 DECDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCOCCO)c1[O-] ZINC000186937929 301070514 /nfs/dbraw/zinc/07/05/14/301070514.db2.gz JOHOLRIKRCOVKA-JTQLQIEISA-N 0 3 318.211 2.123 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](C3CCOCC3)C1)OCO2 ZINC000372212252 534448414 /nfs/dbraw/zinc/44/84/14/534448414.db2.gz OVVUCKHLWIFQHC-ZDUSSCGKSA-N 0 3 305.374 2.369 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](C3CCOCC3)C1)OCO2 ZINC000372212252 534448420 /nfs/dbraw/zinc/44/84/20/534448420.db2.gz OVVUCKHLWIFQHC-ZDUSSCGKSA-N 0 3 305.374 2.369 20 10 DECDHN CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC000180193998 520441564 /nfs/dbraw/zinc/44/15/64/520441564.db2.gz BZBDPQUVJDSUQD-JKSUJKDBSA-N 0 3 309.381 2.283 20 10 DECDHN COc1cc(O)c(CNCc2cnc3n2CCCC3)cc1OC ZINC000368488698 522782245 /nfs/dbraw/zinc/78/22/45/522782245.db2.gz SBNZKDPMJCZEJG-UHFFFAOYSA-N 0 3 317.389 2.232 20 10 DECDHN COC(=O)C[C@](C)(NCc1ccccc1O)c1ccncc1 ZINC000190020681 523359793 /nfs/dbraw/zinc/35/97/93/523359793.db2.gz MJMIISVUSKVLCB-KRWDZBQOSA-N 0 3 300.358 2.355 20 10 DECDHN COCCn1cc(CNC/C=C/c2ccc(N(C)C)cc2)cn1 ZINC000835049082 649871747 /nfs/dbraw/zinc/87/17/47/649871747.db2.gz FHKUJEFIXUPIBK-SNAWJCMRSA-N 0 3 314.433 2.399 20 10 DECDHN C[C@@H]1OCC[C@@H]1N(C/C=C/c1ccc(N(C)C)cc1)CCO ZINC000835055681 649872931 /nfs/dbraw/zinc/87/29/31/649872931.db2.gz XLVKTDFAUPHBKP-BWZQFPAASA-N 0 3 304.434 2.238 20 10 DECDHN CCOc1ccc(C[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)c([O-])c1 ZINC000835075044 649875827 /nfs/dbraw/zinc/87/58/27/649875827.db2.gz UUOSQJDWCCEJJV-ZFWWWQNUSA-N 0 3 304.390 2.034 20 10 DECDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCC[C@H]2O)c1[O-] ZINC000835079960 649876358 /nfs/dbraw/zinc/87/63/58/649876358.db2.gz HYEJIYRHRKKHMP-VXGBXAGGSA-N 0 3 300.196 2.466 20 10 DECDHN CN(C)c1ccc(C[NH2+]Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821589409 606208751 /nfs/dbraw/zinc/20/87/51/606208751.db2.gz MHRVQWXBRUHIRJ-UHFFFAOYSA-N 0 3 314.418 2.284 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)CC2CSC2)N(C)C)cc1 ZINC000891245584 623789337 /nfs/dbraw/zinc/78/93/37/623789337.db2.gz GZXGJULXNLVGQK-MRXNPFEDSA-N 0 3 321.490 2.225 20 10 DECDHN CO[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(C)C ZINC000891248348 623792752 /nfs/dbraw/zinc/79/27/52/623792752.db2.gz KYHJESYIYKCQKN-DLBZAZTESA-N 0 3 321.465 2.143 20 10 DECDHN CCOc1ccc(C[NH2+]CCC(=O)Nc2ccccn2)c([O-])c1 ZINC000725848816 625062734 /nfs/dbraw/zinc/06/27/34/625062734.db2.gz JYXKCRSDFMVSBF-UHFFFAOYSA-N 0 3 315.373 2.304 20 10 DECDHN O=S1(=O)CCCC[C@H]1CNCc1ccc2c(c1)CCCO2 ZINC000921985011 635787943 /nfs/dbraw/zinc/78/79/43/635787943.db2.gz NEVQWPLOBCHOLP-HNNXBMFYSA-N 0 3 309.431 2.069 20 10 DECDHN CN(C)c1ccc(CN(C)C(=O)[C@@H](N)Cc2ccccc2)cc1 ZINC000319208834 635911071 /nfs/dbraw/zinc/91/10/71/635911071.db2.gz GDFBTYAYJSFPOZ-SFHVURJKSA-N 0 3 311.429 2.281 20 10 DECDHN CCOc1ccc(C[NH2+][C@@H]2CCCN3CCSC[C@H]23)c([O-])c1 ZINC000922524475 636217461 /nfs/dbraw/zinc/21/74/61/636217461.db2.gz KXTBVUSWWVBHBJ-HZPDHXFCSA-N 0 3 322.474 2.460 20 10 DECDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCN1C(=O)OC(C)(C)C ZINC000922793341 636404640 /nfs/dbraw/zinc/40/46/40/636404640.db2.gz CVXGJGPYIMOXBE-GFCCVEGCSA-N 0 3 322.405 2.500 20 10 DECDHN O=[N+]([O-])c1cc(CNC[C@@H]2COCO2)ccc1N1CCCCC1 ZINC000894870816 637277888 /nfs/dbraw/zinc/27/78/88/637277888.db2.gz MWQKLSUDTLNZSQ-CQSZACIVSA-N 0 3 321.377 2.048 20 10 DECDHN C[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1cc(F)ccc1[O-] ZINC000840876114 650370371 /nfs/dbraw/zinc/37/03/71/650370371.db2.gz KXHLJEJEHDWUPO-JTQLQIEISA-N 0 3 303.399 2.395 20 10 DECDHN CCO/C=C/[C@@](O)(C[NH2+]Cc1ccccc1[O-])C(F)(F)F ZINC000895707412 638154125 /nfs/dbraw/zinc/15/41/25/638154125.db2.gz LMWXKRACPHSBBZ-SBDDDAINSA-N 0 3 305.296 2.325 20 10 DECDHN CCO/C=C/[C@@](O)(C[NH2+]Cc1cc(F)ccc1[O-])C(F)(F)F ZINC000895712225 638157660 /nfs/dbraw/zinc/15/76/60/638157660.db2.gz ZIHWBXSRITYDSZ-URWSZGRFSA-N 0 3 323.286 2.465 20 10 DECDHN CCO/C=C\[C@@](O)(C[NH2+]Cc1cc(F)ccc1[O-])C(F)(F)F ZINC000895712222 638158239 /nfs/dbraw/zinc/15/82/39/638158239.db2.gz ZIHWBXSRITYDSZ-CFHLNLSMSA-N 0 3 323.286 2.465 20 10 DECDHN CCOc1ccc(C[NH2+]CCCNCc2cccnc2)c([O-])c1 ZINC000841041019 650412142 /nfs/dbraw/zinc/41/21/42/650412142.db2.gz ALNFDPKEVTYYLD-UHFFFAOYSA-N 0 3 315.417 2.455 20 10 DECDHN COCC[N@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000127110389 639139798 /nfs/dbraw/zinc/13/97/98/639139798.db2.gz IZXRPPNDXIJMKS-UHFFFAOYSA-N 0 3 304.184 2.242 20 10 DECDHN COCC[N@@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000127110389 639139799 /nfs/dbraw/zinc/13/97/99/639139799.db2.gz IZXRPPNDXIJMKS-UHFFFAOYSA-N 0 3 304.184 2.242 20 10 DECDHN CN(Cc1ccccc1O)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000841322283 650474528 /nfs/dbraw/zinc/47/45/28/650474528.db2.gz SOZHFFUYGVVGDL-UHFFFAOYSA-N 0 3 312.373 2.097 20 10 DECDHN CCS(=O)(=O)CC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756537793 639670609 /nfs/dbraw/zinc/67/06/09/639670609.db2.gz ZWARAXXGJAPANW-KOLCDFICSA-N 0 3 301.383 2.104 20 10 DECDHN C[C@@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1cc(F)ccc1[O-] ZINC000756777990 639694075 /nfs/dbraw/zinc/69/40/75/639694075.db2.gz ANGRFUXMGBDEML-LLVKDONJSA-N 0 3 315.410 2.397 20 10 DECDHN CCN(CC)c1ccc(CNC(=O)N2CCNC(C)(C)C2)cc1 ZINC000841718508 650550572 /nfs/dbraw/zinc/55/05/72/650550572.db2.gz UAWAUFCZZJNUKK-UHFFFAOYSA-N 0 3 318.465 2.426 20 10 DECDHN COCCO[C@]12CCC[C@@]1([NH2+]Cc1ccccc1[O-])CCO2 ZINC000898001414 640989241 /nfs/dbraw/zinc/98/92/41/640989241.db2.gz NPMIBVOWKPVSFB-IAGOWNOFSA-N 0 3 307.390 2.184 20 10 DECDHN CC[C@@H]([NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)c1ccccc1[O-] ZINC000898152591 641038384 /nfs/dbraw/zinc/03/83/84/641038384.db2.gz LSDCBIGTYTVCKG-TZMCWYRMSA-N 0 3 314.389 2.207 20 10 DECDHN Cc1cc(CNCc2ccc(N3CCN(C)CC3)cc2)no1 ZINC000771825016 641555921 /nfs/dbraw/zinc/55/59/21/641555921.db2.gz UTTLRWWYZBRHCV-UHFFFAOYSA-N 0 3 300.406 2.025 20 10 DECDHN Cc1nnc(CNC[C@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000898448451 641661105 /nfs/dbraw/zinc/66/11/05/641661105.db2.gz SRAVPZAMVSHDQA-OAHLLOKOSA-N 0 3 319.478 2.305 20 10 DECDHN CCN(C)c1ccc(CN2CCN(C(C)(C)CO)CC2)cc1 ZINC000773771149 641823026 /nfs/dbraw/zinc/82/30/26/641823026.db2.gz GNUKYMMFXAVNGD-UHFFFAOYSA-N 0 3 305.466 2.031 20 10 DECDHN CCN(C)c1ccc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1 ZINC000773887055 641836700 /nfs/dbraw/zinc/83/67/00/641836700.db2.gz ABQWYHILLBVEJD-BHYGNILZSA-N 0 3 301.434 2.229 20 10 DECDHN C[C@H](N[C@H](Cc1ccccc1)C(N)=O)c1ccc(N(C)C)cc1 ZINC000774480041 641908741 /nfs/dbraw/zinc/90/87/41/641908741.db2.gz YVQHQCMPRRKLPY-KBXCAEBGSA-N 0 3 311.429 2.500 20 10 DECDHN C[C@]12CSC[C@H]1C[N@H+](Cc1cc3c(cc1[O-])OC[C@H]3O)C2 ZINC000902675174 643105270 /nfs/dbraw/zinc/10/52/70/643105270.db2.gz PWRORWQJVIPKGJ-XFJVYGCCSA-N 0 3 307.415 2.003 20 10 DECDHN C[C@]12CSC[C@H]1C[N@@H+](Cc1cc3c(cc1[O-])OC[C@H]3O)C2 ZINC000902675174 643105272 /nfs/dbraw/zinc/10/52/72/643105272.db2.gz PWRORWQJVIPKGJ-XFJVYGCCSA-N 0 3 307.415 2.003 20 10 DECDHN C[C@@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1ccccc1[O-] ZINC000903375649 643334232 /nfs/dbraw/zinc/33/42/32/643334232.db2.gz XCYBUMUKEKJADU-CYBMUJFWSA-N 0 3 307.390 2.091 20 10 DECDHN C[C@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccn(C)n1 ZINC000903447762 643354875 /nfs/dbraw/zinc/35/48/75/643354875.db2.gz CEPGSHBEVLMOSE-KBXCAEBGSA-N 0 3 315.465 2.440 20 10 DECDHN [O-]c1cccc(Cl)c1CN[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974384 643531739 /nfs/dbraw/zinc/53/17/39/643531739.db2.gz PNTMEOTXOJFHQX-GFCCVEGCSA-N 0 3 310.825 2.294 20 10 DECDHN COc1ccc(C[NH2+]Cc2cc3c(cc2O)OCO3)c([O-])c1 ZINC000793388470 644244697 /nfs/dbraw/zinc/24/46/97/644244697.db2.gz OSUAOGMMWPPSMC-UHFFFAOYSA-N 0 3 303.314 2.125 20 10 DECDHN COc1cc(CN2C[C@]3(CCOC3)OC(C)(C)C2)c(O)cc1C ZINC000794696027 644462331 /nfs/dbraw/zinc/46/23/31/644462331.db2.gz UFSTWLQNUXBUJA-SFHVURJKSA-N 0 3 321.417 2.479 20 10 DECDHN C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC(F)F)c2c1c(F)ccc2[O-] ZINC000795845044 644646650 /nfs/dbraw/zinc/64/66/50/644646650.db2.gz OKXKWAHJRUNEOH-VXNVDRBHSA-N 0 3 302.296 2.051 20 10 DECDHN CCOc1ccc(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)c([O-])c1 ZINC000843414940 650969942 /nfs/dbraw/zinc/96/99/42/650969942.db2.gz HCZFIIGMWDXHJK-CQSZACIVSA-N 0 3 314.389 2.267 20 10 DECDHN CCOc1ccc(C[N@H+]2CC[C@@H](Nc3ncccn3)C2)c([O-])c1 ZINC000843414940 650969943 /nfs/dbraw/zinc/96/99/43/650969943.db2.gz HCZFIIGMWDXHJK-CQSZACIVSA-N 0 3 314.389 2.267 20 10 DECDHN CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000843432814 650974769 /nfs/dbraw/zinc/97/47/69/650974769.db2.gz QSPPSNQOAYIZLW-CYBMUJFWSA-N 0 3 320.286 2.032 20 10 DECDHN CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000843432814 650974772 /nfs/dbraw/zinc/97/47/72/650974772.db2.gz QSPPSNQOAYIZLW-CYBMUJFWSA-N 0 3 320.286 2.032 20 10 DECDHN CC[C@@H](C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)N(C)C ZINC000839918947 645298589 /nfs/dbraw/zinc/29/85/89/645298589.db2.gz DUPMJUZIWPLBGI-PBHICJAKSA-N 0 3 305.466 2.448 20 10 DECDHN COc1cc(Br)cc(C[NH2+][C@@H](C)CN(C)C)c1[O-] ZINC000808423169 646083095 /nfs/dbraw/zinc/08/30/95/646083095.db2.gz LBXGDLGHVIGPIL-VIFPVBQESA-N 0 3 317.227 2.203 20 10 DECDHN CCS(=O)(=O)CC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808692859 646129380 /nfs/dbraw/zinc/12/93/80/646129380.db2.gz WBGMMHMHBGJWRK-JTQLQIEISA-N 0 3 305.827 2.439 20 10 DECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCS(C)(=O)=O)c1[O-] ZINC000808692584 646129423 /nfs/dbraw/zinc/12/94/23/646129423.db2.gz RNELJJMKGMJDBF-JTQLQIEISA-N 0 3 305.827 2.439 20 10 DECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CN(C)CCN2C)c1[O-] ZINC000808696868 646130114 /nfs/dbraw/zinc/13/01/14/646130114.db2.gz ZFSKAXRQAGRVSF-JSGCOSHPSA-N 0 3 311.857 2.250 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]C2CCN(C(C)=O)CC2)c1[O-] ZINC000228669915 646636685 /nfs/dbraw/zinc/63/66/85/646636685.db2.gz AWXVADQJCYLCSG-UHFFFAOYSA-N 0 3 312.797 2.155 20 10 DECDHN C[N@H+]1C[C@H]2[C@@H](CCN2Cc2cc(Br)ccc2[O-])C1 ZINC000814173666 646858052 /nfs/dbraw/zinc/85/80/52/646858052.db2.gz NXRAVEANTIESRT-GWCFXTLKSA-N 0 3 311.223 2.291 20 10 DECDHN C[N@@H+]1C[C@H]2[C@@H](CCN2Cc2cc(Br)ccc2[O-])C1 ZINC000814173666 646858056 /nfs/dbraw/zinc/85/80/56/646858056.db2.gz NXRAVEANTIESRT-GWCFXTLKSA-N 0 3 311.223 2.291 20 10 DECDHN CC(C)[NH+]1CCC(NC(=O)NCc2c([O-])cccc2F)CC1 ZINC000913881056 647081780 /nfs/dbraw/zinc/08/17/80/647081780.db2.gz KULAKGFPJXPNBU-UHFFFAOYSA-N 0 3 309.385 2.203 20 10 DECDHN COc1ccc(C[NH2+]Cc2ccc3c(c2)oc(=O)n3C)c([O-])c1 ZINC000816597195 647156946 /nfs/dbraw/zinc/15/69/46/647156946.db2.gz IUDAMXDOKAZYBK-UHFFFAOYSA-N 0 3 314.341 2.136 20 10 DECDHN CCOc1ccc(C[NH2+][C@@H](C)C2(OC)CCOCC2)c([O-])c1 ZINC000817419835 647291395 /nfs/dbraw/zinc/29/13/95/647291395.db2.gz KTOGFWNCKFGCEC-ZDUSSCGKSA-N 0 3 309.406 2.465 20 10 DECDHN C[C@@H](NCC1C[NH2+]C1)c1cc(Br)c(F)cc1[O-] ZINC000817964970 647395739 /nfs/dbraw/zinc/39/57/39/647395739.db2.gz LKINGQPVTMRIMP-SSDOTTSWSA-N 0 3 303.175 2.164 20 10 DECDHN C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC000921330104 648289458 /nfs/dbraw/zinc/28/94/58/648289458.db2.gz CLKJEYKQGZBZOM-NWDGAFQWSA-N 0 3 309.385 2.203 20 10 DECDHN CC[C@@H](CO)[N@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000824533548 648602711 /nfs/dbraw/zinc/60/27/11/648602711.db2.gz HMYQWNGSWCFPSE-NSHDSACASA-N 0 3 318.211 2.366 20 10 DECDHN CC[C@@H](CO)[N@@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000824533548 648602715 /nfs/dbraw/zinc/60/27/15/648602715.db2.gz HMYQWNGSWCFPSE-NSHDSACASA-N 0 3 318.211 2.366 20 10 DECDHN CC(C)[C@@H](CO)[C@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)C(C)C ZINC000824844809 648661034 /nfs/dbraw/zinc/66/10/34/648661034.db2.gz CZRNLXGYQKZTMJ-CXAGYDPISA-N 0 3 309.406 2.500 20 10 DECDHN CN(C)c1ccc(CN2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000825124125 648707321 /nfs/dbraw/zinc/70/73/21/648707321.db2.gz IDDOQIPOUWWFNE-TZMCWYRMSA-N 0 3 302.340 2.498 20 10 DECDHN COc1cc(Cl)cc(C[N@H+](CCO)[C@H]2CCO[C@@H]2C)c1[O-] ZINC000825130254 648708337 /nfs/dbraw/zinc/70/83/37/648708337.db2.gz QQULGZMDNBVHAM-MFKMUULPSA-N 0 3 315.797 2.026 20 10 DECDHN COc1cc(Cl)cc(C[N@@H+](CCO)[C@H]2CCO[C@@H]2C)c1[O-] ZINC000825130254 648708339 /nfs/dbraw/zinc/70/83/39/648708339.db2.gz QQULGZMDNBVHAM-MFKMUULPSA-N 0 3 315.797 2.026 20 10 DECDHN CCOc1cccc(CN2CCC[C@@H](NC(=O)N(C)C)C2)c1O ZINC000825280220 648735482 /nfs/dbraw/zinc/73/54/82/648735482.db2.gz YXNVBYBKUUYDHM-CQSZACIVSA-N 0 3 321.421 2.027 20 10 DECDHN COc1cccc(CNCc2cc(C(F)(F)F)nn2C)c1O ZINC000825916817 648826443 /nfs/dbraw/zinc/82/64/43/648826443.db2.gz UPKOWPSYJNPQOP-UHFFFAOYSA-N 0 3 315.295 2.443 20 10 DECDHN CN(Cc1ccc(N2CCOCC2)c(F)c1)CC1=CCCOC1 ZINC000827185316 648988744 /nfs/dbraw/zinc/98/87/44/648988744.db2.gz QOHCFVPQOZVLFJ-UHFFFAOYSA-N 0 3 320.408 2.441 20 10 DECDHN COCC[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848512990 651464099 /nfs/dbraw/zinc/46/40/99/651464099.db2.gz CEGCKSBUDSVCLK-MRVPVSSYSA-N 0 3 304.184 2.460 20 10 DECDHN Cc1cc([O-])c(C[NH2+]C2(CCO)CCN(C)CC2)c(Cl)c1 ZINC000848558103 651470595 /nfs/dbraw/zinc/47/05/95/651470595.db2.gz JSUJSAYYXBUGKH-UHFFFAOYSA-N 0 3 312.841 2.290 20 10 DECDHN COc1cccc([O-])c1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000849349183 651655764 /nfs/dbraw/zinc/65/57/64/651655764.db2.gz VVWAMLDIVJMTDQ-LBPRGKRZSA-N 0 3 322.405 2.500 20 10 DECDHN COc1ccc(CNCC[S@@](=O)CC(F)(F)F)cc1C ZINC000850350924 651907803 /nfs/dbraw/zinc/90/78/03/651907803.db2.gz VZFCLTLYPPOSTO-HXUWFJFHSA-N 0 3 309.353 2.404 20 10 DECDHN O=[N+]([O-])c1cc(CNC/C=C/CO)ccc1N1CCCCC1 ZINC000850357328 651909787 /nfs/dbraw/zinc/90/97/87/651909787.db2.gz FUFCFQUATQRATQ-GORDUTHDSA-N 0 3 305.378 2.223 20 10 DECDHN CCOc1ccc(O)c(CN[C@H]2CCN(C3CCC3)C2=O)c1 ZINC000858341495 652312096 /nfs/dbraw/zinc/31/20/96/652312096.db2.gz BSXSWWHMAGMUPB-HNNXBMFYSA-N 0 3 304.390 2.034 20 10 DECDHN C[C@@H]1C[C@H](C)CN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000039519478 683887899 /nfs/dbraw/zinc/88/78/99/683887899.db2.gz GHUHGWLMDSVPJQ-GASCZTMLSA-N 0 3 303.450 2.347 20 10 DECDHN CCOc1ccc(O)c(CN2CCN(CC(C)(C)O)[C@H](C)C2)c1 ZINC000188890252 684366722 /nfs/dbraw/zinc/36/67/22/684366722.db2.gz RCHMXNFWEZGJEV-CQSZACIVSA-N 0 3 322.449 2.068 20 10 DECDHN Cc1noc([C@H]2OCC[C@H]2NCc2ccc(N(C)C)c(C)c2)n1 ZINC000860148870 685891779 /nfs/dbraw/zinc/89/17/79/685891779.db2.gz JCRAAANJZOPUFP-ZBFHGGJFSA-N 0 3 316.405 2.372 20 10 DECDHN C[C@@H]([NH2+]C[C@H](n1cncn1)C(F)(F)F)c1ccccc1[O-] ZINC000866434980 687572251 /nfs/dbraw/zinc/57/22/51/687572251.db2.gz TUZYFKMCNWPZAJ-SKDRFNHKSA-N 0 3 300.284 2.438 20 10 DECDHN COc1ccc(N2CCN(C(=O)[C@H](N)CCC(C)C)CC2)cc1 ZINC000876707821 689910739 /nfs/dbraw/zinc/91/07/39/689910739.db2.gz BEFLYMXWICEQMW-QGZVFWFLSA-N 0 3 319.449 2.107 20 10 DECDHN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1c(C)cccc1[O-] ZINC000877422209 690107775 /nfs/dbraw/zinc/10/77/75/690107775.db2.gz SJRCGVMQRBAXBW-KBPBESRZSA-N 0 3 307.390 2.243 20 10 DECDHN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1c(C)cccc1[O-] ZINC000877422209 690107776 /nfs/dbraw/zinc/10/77/76/690107776.db2.gz SJRCGVMQRBAXBW-KBPBESRZSA-N 0 3 307.390 2.243 20 10 DECDHN Cc1cccc([O-])c1C[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000877556755 690151318 /nfs/dbraw/zinc/15/13/18/690151318.db2.gz JHQNTPVTFDHQJC-UHFFFAOYSA-N 0 3 311.447 2.394 20 10 DECDHN Cc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3nccn3C)C2)c([O-])c1 ZINC000877576293 690156847 /nfs/dbraw/zinc/15/68/47/690156847.db2.gz ITJRBITZXVPPKH-GDBMZVCRSA-N 0 3 301.390 2.444 20 10 DECDHN Cc1ccc(C[NH+]2CCC([C@@H]3NC(=O)C3(C)C)CC2)c([O-])c1 ZINC000877617449 690168875 /nfs/dbraw/zinc/16/88/75/690168875.db2.gz WNUBGQKFZRRXQM-INIZCTEOSA-N 0 3 302.418 2.437 20 10 DECDHN [O-]c1ccc(F)cc1C[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000877665541 690183661 /nfs/dbraw/zinc/18/36/61/690183661.db2.gz ATVWTAAHSGBOPB-IAGOWNOFSA-N 0 3 303.333 2.155 20 10 DECDHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000877665541 690183665 /nfs/dbraw/zinc/18/36/65/690183665.db2.gz ATVWTAAHSGBOPB-IAGOWNOFSA-N 0 3 303.333 2.155 20 10 DECDHN COc1cc(Cl)cc(C[NH+]2CCC3(CCNC3=O)CC2)c1[O-] ZINC000877782614 690227135 /nfs/dbraw/zinc/22/71/35/690227135.db2.gz GDWUOIUAZQSXSR-UHFFFAOYSA-N 0 3 324.808 2.156 20 10 DECDHN COc1ccccc1CNC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879647917 690698579 /nfs/dbraw/zinc/69/85/79/690698579.db2.gz QWECMZZQJBFOBB-CYBMUJFWSA-N 0 3 314.385 2.368 20 10 DECDHN Oc1cc2c(cc1CN[C@@]1(c3ccccc3)C[C@@H](O)C1)OCO2 ZINC000883235233 691462919 /nfs/dbraw/zinc/46/29/19/691462919.db2.gz XPSXBTANRYOYHQ-UJKQEGAGSA-N 0 3 313.353 2.261 20 10 DECDHN C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1cnccn1 ZINC000883289399 691473511 /nfs/dbraw/zinc/47/35/11/691473511.db2.gz NKMBXENMXYKFHG-OAHLLOKOSA-N 0 3 311.433 2.079 20 10 DECDHN COc1cccc([O-])c1C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F ZINC000883366446 691490482 /nfs/dbraw/zinc/49/04/82/691490482.db2.gz UAKKWNPDKPMKBH-JTQLQIEISA-N 0 3 315.238 2.049 20 10 DECDHN C[C@@H]([NH2+][C@@H](C)CCN1CCN(C)CC1)c1c([O-])cccc1F ZINC000886595062 692123468 /nfs/dbraw/zinc/12/34/68/692123468.db2.gz ZVXWCICMPBUSMH-UONOGXRCSA-N 0 3 309.429 2.208 20 10 DECDHN O=C(NCc1c([O-])cccc1F)C1(C(F)(F)F)CC[NH2+]CC1 ZINC001344820646 1150844422 /nfs/dbraw/zinc/84/44/22/1150844422.db2.gz BFPYVODWLIXDTR-UHFFFAOYSA-N 0 3 320.286 2.080 20 10 DECDHN O=C(NCc1c([O-])cccc1F)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@@H]12 ZINC001358167281 1152367688 /nfs/dbraw/zinc/36/76/88/1152367688.db2.gz GANJRFOQOAZVRW-HWWQOWPSSA-N 0 3 306.381 2.316 20 10 DECDHN COC[C@H](CC[NH2+]Cc1cc(Cl)cc(OC)c1[O-])OC ZINC000694372640 777810264 /nfs/dbraw/zinc/81/02/64/777810264.db2.gz HZYNTBJWHNQMBF-LBPRGKRZSA-N 0 3 303.786 2.195 20 10 DECDHN C[C@@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1cc(F)ccc1[O-] ZINC000694605535 777894540 /nfs/dbraw/zinc/89/45/40/777894540.db2.gz YMJVQGHHDSAHKD-PWSUYJOCSA-N 0 3 301.383 2.149 20 10 DECDHN COC(CN(C)Cc1cc2c3c(c1)CCCN3CCC2)OC ZINC001141078337 778210513 /nfs/dbraw/zinc/21/05/13/778210513.db2.gz SOLGKYFFWZVHEO-UHFFFAOYSA-N 0 3 304.434 2.436 20 10 DECDHN COc1ccc(N2CCN([C@H]3CCO[C@@H](C)C3)CC2)c(OC)c1 ZINC001168142373 780229677 /nfs/dbraw/zinc/22/96/77/780229677.db2.gz KYRTUVUZXIWAEF-GJZGRUSLSA-N 0 3 320.433 2.393 20 10 DECDHN CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001098480306 788209537 /nfs/dbraw/zinc/20/95/37/788209537.db2.gz ACCIZAWKZYJIQJ-MCIONIFRSA-N 0 3 315.377 2.204 20 10 DECDHN CC(C)C(=O)N1CCC[C@]12CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204275006 795325075 /nfs/dbraw/zinc/32/50/75/795325075.db2.gz LDTGBFKHXAFGIH-GOSISDBHSA-N 0 3 318.417 2.321 20 10 DECDHN CC(C)C(=O)N1CCC[C@]12CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204275006 795325084 /nfs/dbraw/zinc/32/50/84/795325084.db2.gz LDTGBFKHXAFGIH-GOSISDBHSA-N 0 3 318.417 2.321 20 10 DECDHN COc1cc(C)nc(O[C@H]2CC[N@H+](Cc3ccccc3[O-])C2)n1 ZINC001203563245 795843975 /nfs/dbraw/zinc/84/39/75/795843975.db2.gz XCHWFFIHLPJLJC-AWEZNQCLSA-N 0 3 315.373 2.153 20 10 DECDHN COc1cc(C)nc(O[C@H]2CC[N@@H+](Cc3ccccc3[O-])C2)n1 ZINC001203563245 795843983 /nfs/dbraw/zinc/84/39/83/795843983.db2.gz XCHWFFIHLPJLJC-AWEZNQCLSA-N 0 3 315.373 2.153 20 10 DECDHN CCNC(=O)OC1CCN(Cc2cccc(OC)c2O)CC1 ZINC001203599197 796134528 /nfs/dbraw/zinc/13/45/28/796134528.db2.gz CFCODPGOYVVIMG-UHFFFAOYSA-N 0 3 308.378 2.111 20 10 DECDHN Cc1cc(CN2CCC(=O)N3CCC[C@@H]3C2)ccc1N(C)C ZINC001139674082 796408935 /nfs/dbraw/zinc/40/89/35/796408935.db2.gz MWTSABRHPDGQJU-MRXNPFEDSA-N 0 3 301.434 2.258 20 10 DECDHN Cc1cnc(O[C@@H]2CC[N@H+](Cc3cc(F)ccc3[O-])C2)nc1 ZINC001140056132 796471532 /nfs/dbraw/zinc/47/15/32/796471532.db2.gz IZXUPUCIZRVRRY-CQSZACIVSA-N 0 3 303.337 2.283 20 10 DECDHN Cc1cnc(O[C@@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])C2)nc1 ZINC001140056132 796471535 /nfs/dbraw/zinc/47/15/35/796471535.db2.gz IZXUPUCIZRVRRY-CQSZACIVSA-N 0 3 303.337 2.283 20 10 DECDHN CCN1CCN(c2ccc(CN3CCOC4(CC4)C3)cc2)CC1 ZINC001140309457 796504883 /nfs/dbraw/zinc/50/48/83/796504883.db2.gz HLRMQYIKKWTZQD-UHFFFAOYSA-N 0 3 315.461 2.193 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(OC)c1 ZINC001141031519 796620896 /nfs/dbraw/zinc/62/08/96/796620896.db2.gz HGUXVENYTSIDNK-WBMJQRKESA-N 0 3 307.390 2.410 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(OC)c1 ZINC001141031519 796620898 /nfs/dbraw/zinc/62/08/98/796620898.db2.gz HGUXVENYTSIDNK-WBMJQRKESA-N 0 3 307.390 2.410 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c(OC)c1 ZINC001141031517 796621434 /nfs/dbraw/zinc/62/14/34/796621434.db2.gz HGUXVENYTSIDNK-LRDDRELGSA-N 0 3 307.390 2.410 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c(OC)c1 ZINC001141031517 796621436 /nfs/dbraw/zinc/62/14/36/796621436.db2.gz HGUXVENYTSIDNK-LRDDRELGSA-N 0 3 307.390 2.410 20 10 DECDHN Cc1cccnc1O[C@H]1CCN(Cc2cc(O)ccc2O)C1 ZINC001141163099 796643887 /nfs/dbraw/zinc/64/38/87/796643887.db2.gz PBFCULJYGPAFQY-HNNXBMFYSA-N 0 3 300.358 2.455 20 10 DECDHN CN1CCCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001158366110 798394283 /nfs/dbraw/zinc/39/42/83/798394283.db2.gz WHEYKYHJARVKKI-ZDUSSCGKSA-N 0 3 303.366 2.063 20 10 DECDHN CN1CCCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001158366109 798394489 /nfs/dbraw/zinc/39/44/89/798394489.db2.gz WHEYKYHJARVKKI-CYBMUJFWSA-N 0 3 303.366 2.063 20 10 DECDHN COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccc(OC)cc1[O-])C2 ZINC001203622961 800092841 /nfs/dbraw/zinc/09/28/41/800092841.db2.gz HBUYXTWEZAGMKC-ROUUACIJSA-N 0 3 321.417 2.418 20 10 DECDHN COC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(OC)cc1[O-])C2 ZINC001203622961 800092850 /nfs/dbraw/zinc/09/28/50/800092850.db2.gz HBUYXTWEZAGMKC-ROUUACIJSA-N 0 3 321.417 2.418 20 10 DECDHN CCN1CC2(CC1=O)CC[NH+](Cc1ccc(OC)cc1[O-])CC2 ZINC001203635078 800097084 /nfs/dbraw/zinc/09/70/84/800097084.db2.gz JZRNAYLPSRKOOA-UHFFFAOYSA-N 0 3 318.417 2.235 20 10 DECDHN Oc1ccc(Br)cc1CN1CCc2nccn2CC1 ZINC001203645966 800100059 /nfs/dbraw/zinc/10/00/59/800100059.db2.gz XEAQMOFRMCDGFC-UHFFFAOYSA-N 0 3 322.206 2.410 20 10 DECDHN COc1ncnc2c1CCN(Cc1ccc(N(C)C)cc1)CC2 ZINC001203931592 800148040 /nfs/dbraw/zinc/14/80/40/800148040.db2.gz JXRSKFMQLYOJPW-UHFFFAOYSA-N 0 3 312.417 2.152 20 10 DECDHN CCN1C(=O)CCC12CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001204273423 800197828 /nfs/dbraw/zinc/19/78/28/800197828.db2.gz PESSXKQKRLFJRE-UHFFFAOYSA-N 0 3 304.390 2.075 20 10 DECDHN CN1c2ccccc2[C@@]2(CC[N@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001204274975 800198294 /nfs/dbraw/zinc/19/82/94/800198294.db2.gz WFVGDUGFITVXID-IBGZPJMESA-N 0 3 324.380 2.218 20 10 DECDHN CN1c2ccccc2[C@@]2(CC[N@@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001204274975 800198298 /nfs/dbraw/zinc/19/82/98/800198298.db2.gz WFVGDUGFITVXID-IBGZPJMESA-N 0 3 324.380 2.218 20 10 DECDHN C[C@H]1CN(Cc2ccc(O)cc2O)CC[C@]1(O)C(F)(F)F ZINC001204276328 800199518 /nfs/dbraw/zinc/19/95/18/800199518.db2.gz KOFDGLHQOWIUKP-TVQRCGJNSA-N 0 3 305.296 2.233 20 10 DECDHN Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(O)cc3[O-])C2)nc1 ZINC001204278230 800200300 /nfs/dbraw/zinc/20/03/00/800200300.db2.gz ZCPVTGBZAICXJM-OAHLLOKOSA-N 0 3 300.358 2.455 20 10 DECDHN Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(O)cc3[O-])C2)nc1 ZINC001204278230 800200306 /nfs/dbraw/zinc/20/03/06/800200306.db2.gz ZCPVTGBZAICXJM-OAHLLOKOSA-N 0 3 300.358 2.455 20 10 DECDHN CCc1nc(C2CC[NH+](Cc3ccc(O)cc3[O-])CC2)no1 ZINC001204279993 800200715 /nfs/dbraw/zinc/20/07/15/800200715.db2.gz HSNCHZGRUNMJJP-UHFFFAOYSA-N 0 3 303.362 2.423 20 10 DECDHN CC(C)(C)c1cc([O-])c(CN2C[C@H](O)C[C@H]([NH3+])C2)cc1Cl ZINC001204954921 800277585 /nfs/dbraw/zinc/27/75/85/800277585.db2.gz IKSLSUSSUDISPK-NWDGAFQWSA-N 0 3 312.841 2.237 20 10 DECDHN Cc1ccc(C)n1-c1ccc(CN2CCOC[C@H](O)C2)cc1 ZINC001209516425 801205422 /nfs/dbraw/zinc/20/54/22/801205422.db2.gz GHBBFBQDFVYWEF-GOSISDBHSA-N 0 3 300.402 2.287 20 10 DECDHN COC(=O)[C@H]1COCCC12CN(Cc1c(C)cc(C)cc1O)C2 ZINC001231849080 801737004 /nfs/dbraw/zinc/73/70/04/801737004.db2.gz MGBAGERVXDRHMS-OAHLLOKOSA-N 0 3 319.401 2.021 20 10 DECDHN COc1cc(N(C)C)ccc1CN1CCN(CC2CC2)CC1 ZINC001231853435 801737019 /nfs/dbraw/zinc/73/70/19/801737019.db2.gz KHYBIJLESMWGCY-UHFFFAOYSA-N 0 3 303.450 2.289 20 10 DECDHN CCN1CCN(Cc2c3ccccc3n(C)c2C(=O)OC)CC1 ZINC001232401719 801871518 /nfs/dbraw/zinc/87/15/18/801871518.db2.gz NQBOIKQEQGGYKL-UHFFFAOYSA-N 0 3 315.417 2.102 20 10 DECDHN Cc1cc(Br)cc(CN2CCN3CC[C@H]3C2)c1O ZINC001233111679 802028343 /nfs/dbraw/zinc/02/83/43/802028343.db2.gz SVOFQIGGHQKXIT-ZDUSSCGKSA-N 0 3 311.223 2.353 20 10 DECDHN O=C1c2cccc(O[C@@H]3CCC[NH2+]C3)c2C(=O)c2cccc([O-])c21 ZINC001217963288 802124747 /nfs/dbraw/zinc/12/47/47/802124747.db2.gz SFZYJDCADBQZIQ-LLVKDONJSA-N 0 3 323.348 2.298 20 10 DECDHN Cc1cccc(O[C@@H]2CCN(Cc3cc(O)c(O)cc3O)C2)n1 ZINC001233487819 802128524 /nfs/dbraw/zinc/12/85/24/802128524.db2.gz SYDBSZQLESXUDI-CYBMUJFWSA-N 0 3 316.357 2.160 20 10 DECDHN C[C@]1(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])CCC[NH2+]1 ZINC001220212527 802426768 /nfs/dbraw/zinc/42/67/68/802426768.db2.gz MTRSGDIOTPYFKD-MRXNPFEDSA-N 0 3 319.792 2.352 20 10 DECDHN C[C@@]1(NC(=O)c2ccc(N=NC(N)=O)cc2)CN2CCC1CC2 ZINC001640233712 1078649627 /nfs/dbraw/zinc/64/96/27/1078649627.db2.gz KSTKQBAGNXZPMO-MRXNPFEDSA-N 0 3 315.377 2.063 20 10 DECDHN COc1ccc(CNC2(CNC(=O)[C@H]3CC3(F)F)CC2)cc1C ZINC001483733280 1078913572 /nfs/dbraw/zinc/91/35/72/1078913572.db2.gz QZPYIQRBUIVELV-CYBMUJFWSA-N 0 3 324.371 2.397 20 10 DECDHN CCN(CC)c1ccc(CNC(=O)Cc2nc[nH]c2C)cc1 ZINC001596577909 1077080092 /nfs/dbraw/zinc/08/00/92/1077080092.db2.gz DDOOXFQBQYMEKA-UHFFFAOYSA-N 0 3 300.406 2.423 20 10 DECDHN COc1cc(C)c(CN2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c(O)c1 ZINC001652362096 1079872941 /nfs/dbraw/zinc/87/29/41/1079872941.db2.gz XOGRPVUHKIIMQW-IYOUNJFTSA-N 0 3 321.417 2.478 20 10 DECDHN COc1ccc(O)c(CNCc2cccc(S(C)(=O)=O)c2)c1 ZINC001658107404 1080196205 /nfs/dbraw/zinc/19/62/05/1080196205.db2.gz IRUXDDVRCHQLFP-UHFFFAOYSA-N 0 3 321.398 2.094 20 10 DECDHN COc1ccc(C[NH2+]Cc2ccc3oc(=O)oc3c2)c([O-])c1 ZINC001658993021 1080225560 /nfs/dbraw/zinc/22/55/60/1080225560.db2.gz XOFYFWKFWPXZJS-UHFFFAOYSA-N 0 3 301.298 2.390 20 10 DECDHN CC(C)N1CC[C@@H](NCc2ccc(N3CCCC3)cc2)C1=O ZINC001661472608 1080484784 /nfs/dbraw/zinc/48/47/84/1080484784.db2.gz BCEONVSTUPQQMJ-QGZVFWFLSA-N 0 3 301.434 2.386 20 10 DECDHN CN(C)c1cc(F)c(CN[C@@H]2CC[C@@H]([S@](C)=O)C2)cc1F ZINC001663405859 1080742284 /nfs/dbraw/zinc/74/22/84/1080742284.db2.gz UMIHHZAGCVTPTB-ZSMADZGOSA-N 0 3 316.417 2.420 20 10 DECDHN NC(=O)[C@@H]1CCN(Cc2ccc(O)c(O)c2)[C@H]1c1ccccc1 ZINC001276914074 1083677446 /nfs/dbraw/zinc/67/74/46/1083677446.db2.gz LUMFJAAKIYMESC-PBHICJAKSA-N 0 3 312.369 2.146 20 10 DECDHN COc1ccc(N2CC[C@H]3[C@@H]2CCN3Cc2cn[nH]c2)cc1F ZINC001277010247 1083730922 /nfs/dbraw/zinc/73/09/22/1083730922.db2.gz QSQVTTKGHUQNSW-HOTGVXAUSA-N 0 3 316.380 2.411 20 10 DECDHN CN(C)C(=O)[C@@H]1CCC[C@@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001277441941 1083971440 /nfs/dbraw/zinc/97/14/40/1083971440.db2.gz RUCNPENRVJFWGU-YJBOKZPZSA-N 0 3 302.418 2.473 20 10 DECDHN CN(C)C(=O)[C@@H]1CCC[C@@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001277441941 1083971445 /nfs/dbraw/zinc/97/14/45/1083971445.db2.gz RUCNPENRVJFWGU-YJBOKZPZSA-N 0 3 302.418 2.473 20 10 DECDHN Cc1cc(CN2CCC[C@@H]3[NH2+]C[C@@H]32)c([O-])cc1Br ZINC001235307237 1084381869 /nfs/dbraw/zinc/38/18/69/1084381869.db2.gz UVBMBQCLQOAWNK-STQMWFEESA-N 0 3 311.223 2.399 20 10 DECDHN COC(=O)CO[C@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235679616 1084496237 /nfs/dbraw/zinc/49/62/37/1084496237.db2.gz GXBVDYPUJXSGJT-HNNXBMFYSA-N 0 3 321.417 2.454 20 10 DECDHN COC(=O)CO[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235679616 1084496239 /nfs/dbraw/zinc/49/62/39/1084496239.db2.gz GXBVDYPUJXSGJT-HNNXBMFYSA-N 0 3 321.417 2.454 20 10 DECDHN CCOc1ccc(C[NH+]2CCC3(CCC(=O)N3C)CC2)c([O-])c1 ZINC001237047691 1138487394 /nfs/dbraw/zinc/48/73/94/1138487394.db2.gz NQLOBDALFUNYJS-UHFFFAOYSA-N 0 3 318.417 2.378 20 10 DECDHN CC(C)c1ccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c([O-])c1 ZINC001237053108 1138490977 /nfs/dbraw/zinc/49/09/77/1138490977.db2.gz GSMPYXBTBNQGQQ-KRWDZBQOSA-N 0 3 304.434 2.422 20 10 DECDHN CC(C)c1ccc(C[N@H+]2CC[C@H](N3CCOCC3)C2)c([O-])c1 ZINC001237053108 1138490987 /nfs/dbraw/zinc/49/09/87/1138490987.db2.gz GSMPYXBTBNQGQQ-KRWDZBQOSA-N 0 3 304.434 2.422 20 10 DECDHN C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1[O-])CC1COC1 ZINC001237058001 1138492379 /nfs/dbraw/zinc/49/23/79/1138492379.db2.gz HLESKHDTITUOCT-UHFFFAOYSA-N 0 3 305.296 2.412 20 10 DECDHN C[N@H+](Cc1ccc(OCC(F)(F)F)cc1[O-])CC1COC1 ZINC001237058001 1138492384 /nfs/dbraw/zinc/49/23/84/1138492384.db2.gz HLESKHDTITUOCT-UHFFFAOYSA-N 0 3 305.296 2.412 20 10 DECDHN CC1CCN(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC001237201821 1138527334 /nfs/dbraw/zinc/52/73/34/1138527334.db2.gz BVMMVUIKTIACAX-UHFFFAOYSA-N 0 3 322.474 2.153 20 10 DECDHN CN(Cc1cccc(N2CCOCC2)n1)Cc1ccccc1O ZINC001237850677 1138805153 /nfs/dbraw/zinc/80/51/53/1138805153.db2.gz MBRBSPJXQXYSRX-UHFFFAOYSA-N 0 3 313.401 2.256 20 10 DECDHN Cc1cc(F)cc(C[N@@H+]2C[C@H]3CN(CC4CC4)C(=O)[C@H]3C2)c1[O-] ZINC001238063033 1138819320 /nfs/dbraw/zinc/81/93/20/1138819320.db2.gz XBUFKPSEYLITNM-HOCLYGCPSA-N 0 3 318.392 2.140 20 10 DECDHN Cc1cc(F)cc(C[N@H+]2C[C@H]3CN(CC4CC4)C(=O)[C@H]3C2)c1[O-] ZINC001238063033 1138819322 /nfs/dbraw/zinc/81/93/22/1138819322.db2.gz XBUFKPSEYLITNM-HOCLYGCPSA-N 0 3 318.392 2.140 20 10 DECDHN Cc1cc(F)cc(C[NH+]2CCC3(CC(=O)N(C)C3)CC2)c1[O-] ZINC001238068266 1138820080 /nfs/dbraw/zinc/82/00/80/1138820080.db2.gz VEEXXPNUHSABJX-UHFFFAOYSA-N 0 3 306.381 2.284 20 10 DECDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H](OC)C[C@@H]2C)c([O-])c1 ZINC001249223668 1141862439 /nfs/dbraw/zinc/86/24/39/1141862439.db2.gz LTVVJARLGPUKPJ-WFASDCNBSA-N 0 3 307.390 2.107 20 10 DECDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)c([O-])c1 ZINC001249223668 1141862441 /nfs/dbraw/zinc/86/24/41/1141862441.db2.gz LTVVJARLGPUKPJ-WFASDCNBSA-N 0 3 307.390 2.107 20 10 DECDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](CO)CC1CCOCC1)CC2 ZINC001324600438 1142136375 /nfs/dbraw/zinc/13/63/75/1142136375.db2.gz BXCPIJKXNNVCKA-GDBMZVCRSA-N 0 3 305.418 2.394 20 10 DECDHN Cc1cc(CN2CCN(C)[C@H](CO)C2)ccc1N1CCCCC1 ZINC001307986395 1147440469 /nfs/dbraw/zinc/44/04/69/1147440469.db2.gz GCAFKEDUSYFZTC-SFHVURJKSA-N 0 3 317.477 2.094 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c([O-])c1 ZINC001308577707 1147480855 /nfs/dbraw/zinc/48/08/55/1147480855.db2.gz JMAOIPHWRNZIST-HNNXBMFYSA-N 0 3 320.433 2.006 20 10 DECDHN COc1cc(C)c(C[N@H+]2CCC[C@H]2CN2CCOCC2)c([O-])c1 ZINC001308577707 1147480858 /nfs/dbraw/zinc/48/08/58/1147480858.db2.gz JMAOIPHWRNZIST-HNNXBMFYSA-N 0 3 320.433 2.006 20 10 DECDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+](CCO)CCCO ZINC000093323907 355676458 /nfs/dbraw/zinc/67/64/58/355676458.db2.gz KVXMEGHKMIZEEH-UHFFFAOYSA-N 0 3 301.386 2.236 20 10 DECDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+](CCO)CCCO ZINC000093323907 355676459 /nfs/dbraw/zinc/67/64/59/355676459.db2.gz KVXMEGHKMIZEEH-UHFFFAOYSA-N 0 3 301.386 2.236 20 10 DECDHN CSc1ccc(N(C)C(=O)c2cn[n-]c2[C@@H]2CC[NH2+]C2)cc1 ZINC000662586215 540332795 /nfs/dbraw/zinc/33/27/95/540332795.db2.gz QWCKTDRHGCUKKH-LLVKDONJSA-N 0 3 316.430 2.485 20 10 DECDHN COc1cccc(CN2CCC([C@H](O)c3ncc[nH]3)CC2)c1O ZINC000373340200 533478090 /nfs/dbraw/zinc/47/80/90/533478090.db2.gz IXUASJTYDSNBCA-INIZCTEOSA-N 0 3 317.389 2.070 20 10 DECDHN COCCOCCOCCC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000274690432 130255326 /nfs/dbraw/zinc/25/53/26/130255326.db2.gz UOOIUUALIMJUHA-ZDUSSCGKSA-N 0 3 315.385 2.252 20 10 DECDHN Cc1ccc([O-])c(C[NH2+]CCCN2C(=O)c3ccccc3C2=O)c1 ZINC000285671433 131191674 /nfs/dbraw/zinc/19/16/74/131191674.db2.gz ZUVZNCARKAIQSC-UHFFFAOYSA-N 0 3 324.380 2.477 20 10 DECDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H](C)C[NH3+] ZINC000285733282 131197211 /nfs/dbraw/zinc/19/72/11/131197211.db2.gz GTNPSUGMFACXSE-SECBINFHSA-N 0 3 315.211 2.098 20 10 DECDHN C[C@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@H](O)c1ccccc1 ZINC000288549176 131329914 /nfs/dbraw/zinc/32/99/14/131329914.db2.gz LIJQTXXCTJEEOJ-GTNSWQLSSA-N 0 3 301.342 2.333 20 10 DECDHN CCC[C@@H](C)C(=O)NCC[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000293868091 131776747 /nfs/dbraw/zinc/77/67/47/131776747.db2.gz IRYYGBDQYODXOY-GFCCVEGCSA-N 0 3 324.421 2.051 20 10 DECDHN CC(C)CN(CC(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000297826308 132036163 /nfs/dbraw/zinc/03/61/63/132036163.db2.gz JPZDFVWPDQRZPJ-UHFFFAOYSA-N 0 3 303.450 2.489 20 10 DECDHN C[N@H+](CCCO)C1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000126323559 401689186 /nfs/dbraw/zinc/68/91/86/401689186.db2.gz JYBQNOOZAZKONP-UHFFFAOYSA-N 0 3 312.841 2.324 20 10 DECDHN C[N@@H+](CCCO)C1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000126323559 401689190 /nfs/dbraw/zinc/68/91/90/401689190.db2.gz JYBQNOOZAZKONP-UHFFFAOYSA-N 0 3 312.841 2.324 20 10 DECDHN CCN(CCC[NH2+][C@H](C)c1ccc(C)cc1[O-])S(C)(=O)=O ZINC000038035466 401921426 /nfs/dbraw/zinc/92/14/26/401921426.db2.gz ZWXOPQUTGCYFFC-CYBMUJFWSA-N 0 3 314.451 2.023 20 10 DECDHN CCN1CCN([C@@H]2CC[N@H+](Cc3c([O-])cccc3Cl)C2)CC1 ZINC000119606620 401961409 /nfs/dbraw/zinc/96/14/09/401961409.db2.gz DTGXAKLNRPULAE-CQSZACIVSA-N 0 3 323.868 2.257 20 10 DECDHN CCN1CCN([C@@H]2CC[N@@H+](Cc3c([O-])cccc3Cl)C2)CC1 ZINC000119606620 401961413 /nfs/dbraw/zinc/96/14/13/401961413.db2.gz DTGXAKLNRPULAE-CQSZACIVSA-N 0 3 323.868 2.257 20 10 DECDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)COCc1ccccc1 ZINC000121146040 402017436 /nfs/dbraw/zinc/01/74/36/402017436.db2.gz JKDNCQXYDHSXIV-KRWDZBQOSA-N 0 3 301.386 2.402 20 10 DECDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)COCc1ccccc1 ZINC000121146040 402017437 /nfs/dbraw/zinc/01/74/37/402017437.db2.gz JKDNCQXYDHSXIV-KRWDZBQOSA-N 0 3 301.386 2.402 20 10 DECDHN CN(C)c1ccc(CNC(=O)CN2C[C@@H]3CCC[C@H]3C2)cc1 ZINC000152829007 402111475 /nfs/dbraw/zinc/11/14/75/402111475.db2.gz JYCIWZCCJWBKTE-HOTGVXAUSA-N 0 3 301.434 2.101 20 10 DECDHN COCCC(=O)N1CCC([NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000186128540 402403719 /nfs/dbraw/zinc/40/37/19/402403719.db2.gz CNXRDPYCYKQBMW-LBPRGKRZSA-N 0 3 324.396 2.209 20 10 DECDHN COc1cc([O-])c(C[NH2+]CCCn2ccnc2C)cc1OC ZINC000271981837 402887742 /nfs/dbraw/zinc/88/77/42/402887742.db2.gz DWGDKUSVXGEQCY-UHFFFAOYSA-N 0 3 305.378 2.094 20 10 DECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCCN(C(C)=O)C2)c1 ZINC000280972447 403055863 /nfs/dbraw/zinc/05/58/63/403055863.db2.gz LKTWJYROWQMOCZ-TZMCWYRMSA-N 0 3 306.406 2.310 20 10 DECDHN CC[C@@H](NC[C@H]1CN(C)CCN1C)c1ccc(N(C)C)cc1 ZINC000268905403 403120918 /nfs/dbraw/zinc/12/09/18/403120918.db2.gz LSMMOVHZADFFMH-ZWKOTPCHSA-N 0 3 304.482 2.039 20 10 DECDHN Cc1cccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c1[O-] ZINC000282980927 403164345 /nfs/dbraw/zinc/16/43/45/403164345.db2.gz JIIYOTOFKQGYHD-RDJZCZTQSA-N 0 3 305.418 2.358 20 10 DECDHN Cc1ccc([O-])c(C[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)c1 ZINC000269911207 403175380 /nfs/dbraw/zinc/17/53/80/403175380.db2.gz IHHBXTXYVRZLEQ-AEFFLSMTSA-N 0 3 301.386 2.275 20 10 DECDHN Cc1cc(N2CCC([NH2+]Cc3cccc(C)c3[O-])CC2)n[nH]1 ZINC000276074056 403144322 /nfs/dbraw/zinc/14/43/22/403144322.db2.gz UISZBJOKZCQLES-UHFFFAOYSA-N 0 3 300.406 2.491 20 10 DECDHN CN(C)c1ccc(CN2CCC(CCC(N)=O)CC2)cc1F ZINC000271187903 403275536 /nfs/dbraw/zinc/27/55/36/403275536.db2.gz KJPMUEPVDMBVJV-UHFFFAOYSA-N 0 3 307.413 2.369 20 10 DECDHN [O-]c1cc2c(cc1C[NH+]1CCC(c3ncc[nH]3)CC1)OCO2 ZINC000271209609 403279040 /nfs/dbraw/zinc/27/90/40/403279040.db2.gz USTKZWBUKVLGIJ-UHFFFAOYSA-N 0 3 301.346 2.224 20 10 DECDHN CCCOc1ccc(C[NH2+][C@H](C(=O)NCC)C(C)C)c([O-])c1 ZINC000292925027 403383479 /nfs/dbraw/zinc/38/34/79/403383479.db2.gz IMUFMGXMJIUHAB-INIZCTEOSA-N 0 3 308.422 2.431 20 10 DECDHN CCOc1ccc(O)c(CN[C@H](CC(N)=O)c2ccccc2)c1 ZINC000292962650 403383955 /nfs/dbraw/zinc/38/39/55/403383955.db2.gz JQNDESKHYODXAC-MRXNPFEDSA-N 0 3 314.385 2.497 20 10 DECDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H](CO)C1CCCCC1)OCO2 ZINC000293022969 403386889 /nfs/dbraw/zinc/38/68/89/403386889.db2.gz PBHDBQSLVKGICY-AWEZNQCLSA-N 0 3 307.390 2.399 20 10 DECDHN CCOc1cccc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c1[O-] ZINC000374272514 227130620 /nfs/dbraw/zinc/13/06/20/227130620.db2.gz QYMURUAGVNRRPQ-WMLDXEAASA-N 0 3 307.390 2.219 20 10 DECDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000418100991 229219430 /nfs/dbraw/zinc/21/94/30/229219430.db2.gz QPJMPPASNSEYSH-UONOGXRCSA-N 0 3 314.433 2.379 20 10 DECDHN Cn1nccc1N1CCC[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000296626105 294590037 /nfs/dbraw/zinc/59/00/37/294590037.db2.gz ZNWJNLXQMBREPW-HUUCEWRRSA-N 0 3 312.417 2.372 20 10 DECDHN CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cc(OC)ccc1[O-])CC2 ZINC000180411284 520581122 /nfs/dbraw/zinc/58/11/22/520581122.db2.gz UEZDZKQQWOFPTH-IRXDYDNUSA-N 0 3 321.417 2.153 20 10 DECDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1OC ZINC000160452561 522777775 /nfs/dbraw/zinc/77/77/75/522777775.db2.gz IKCDQLQXEOJXHN-DOMZBBRYSA-N 0 3 307.390 2.410 20 10 DECDHN COc1cc([O-])c(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1OC ZINC000160452561 522777785 /nfs/dbraw/zinc/77/77/85/522777785.db2.gz IKCDQLQXEOJXHN-DOMZBBRYSA-N 0 3 307.390 2.410 20 10 DECDHN CC[C@@H](NCC(=O)NCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000160572113 522815678 /nfs/dbraw/zinc/81/56/78/522815678.db2.gz MCBOTOCEVRLXIG-CYBMUJFWSA-N 0 3 317.355 2.472 20 10 DECDHN COCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(C)cc2[O-])CC1 ZINC000186128345 522942208 /nfs/dbraw/zinc/94/22/08/522942208.db2.gz XOXVXYHKMWXPTM-AWEZNQCLSA-N 0 3 320.433 2.379 20 10 DECDHN COCCO[C@H]1CCN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000188813557 524037327 /nfs/dbraw/zinc/03/73/27/524037327.db2.gz GGEYKQZVLRDQKG-ZDUSSCGKSA-N 0 3 315.797 2.292 20 10 DECDHN COc1ccc([O-])c(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c1 ZINC000363846099 524737456 /nfs/dbraw/zinc/73/74/56/524737456.db2.gz LFEJXILSVPLPLV-AWEZNQCLSA-N 0 3 321.417 2.418 20 10 DECDHN CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000368036243 526910565 /nfs/dbraw/zinc/91/05/65/526910565.db2.gz QYHIIZBUXRBWAF-AWEZNQCLSA-N 0 3 314.389 2.453 20 10 DECDHN CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000368036243 526910571 /nfs/dbraw/zinc/91/05/71/526910571.db2.gz QYHIIZBUXRBWAF-AWEZNQCLSA-N 0 3 314.389 2.453 20 10 DECDHN OC[C@@H](NCc1cc2c(cc1O)OCO2)c1ccc(F)cc1 ZINC000265238893 527581736 /nfs/dbraw/zinc/58/17/36/527581736.db2.gz KZIGDGQFNGHEGH-CYBMUJFWSA-N 0 3 305.305 2.083 20 10 DECDHN CCN1CCN(C[C@H](C)C[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000297513860 535719555 /nfs/dbraw/zinc/71/95/55/535719555.db2.gz CSMJABAWMNFNHH-NVXWUHKLSA-N 0 3 317.477 2.243 20 10 DECDHN CN(C)c1ccc(/C=C\CNC[C@@H]2CCCCS2(=O)=O)cc1 ZINC000835048804 649871219 /nfs/dbraw/zinc/87/12/19/649871219.db2.gz ZLTAXYIWZMDQSZ-OSJSJHBBSA-N 0 3 322.474 2.323 20 10 DECDHN CC(C)OC[C@H](CO)N(C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835054830 649873094 /nfs/dbraw/zinc/87/30/94/649873094.db2.gz ZKAVQDVUWHYADZ-DKFQHHCZSA-N 0 3 306.450 2.484 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CC2(F)F)N(C)C)cc1 ZINC000891249902 623794245 /nfs/dbraw/zinc/79/42/45/623794245.db2.gz UHYSMOZCDBOLTM-KBPBESRZSA-N 0 3 311.376 2.127 20 10 DECDHN CS[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251296 623797299 /nfs/dbraw/zinc/79/72/99/623797299.db2.gz BPZLMCUEXRWBPP-WFASDCNBSA-N 0 3 309.479 2.223 20 10 DECDHN CSCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891258539 623806277 /nfs/dbraw/zinc/80/62/77/623806277.db2.gz SUSQVMPUSFQEDF-OAHLLOKOSA-N 0 3 309.479 2.225 20 10 DECDHN CC[C@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891409721 624153729 /nfs/dbraw/zinc/15/37/29/624153729.db2.gz IHANAISUYJBLCW-BBRMVZONSA-N 0 3 306.454 2.453 20 10 DECDHN COc1ccc(N2CCCN(Cc3cn(C)nc3C)CC2)cc1 ZINC000092380625 624659158 /nfs/dbraw/zinc/65/91/58/624659158.db2.gz QPMHIDNSPPCFRX-UHFFFAOYSA-N 0 3 314.433 2.449 20 10 DECDHN COc1ccc(O)c([C@H](C)NCC(=O)N2CCC[C@@H](C)C2)c1 ZINC000182426724 625258751 /nfs/dbraw/zinc/25/87/51/625258751.db2.gz NRCYJYCOMKUTLS-OLZOCXBDSA-N 0 3 306.406 2.310 20 10 DECDHN Cc1noc([C@@H]2OCC[C@@H]2NCc2ccc3c(c2)CCCO3)n1 ZINC000922296236 636067243 /nfs/dbraw/zinc/06/72/43/636067243.db2.gz BWUSFROLJUHUOZ-GOEBONIOSA-N 0 3 315.373 2.323 20 10 DECDHN COC(=O)[C@H]1[C@H](CNCc2ccc(N(C)C)c(F)c2)C1(F)F ZINC000894207991 636434892 /nfs/dbraw/zinc/43/48/92/636434892.db2.gz CELCVDVORIJDLR-GXFFZTMASA-N 0 3 316.323 2.036 20 10 DECDHN COC(=O)[C@H]1[C@H](CNCc2ccc(N(C)C)cc2C)C1(F)F ZINC000894256793 636582052 /nfs/dbraw/zinc/58/20/52/636582052.db2.gz WODLAQRHLVLGOC-UONOGXRCSA-N 0 3 312.360 2.205 20 10 DECDHN C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cccc(O)c2[O-])C1 ZINC000186948501 636641993 /nfs/dbraw/zinc/64/19/93/636641993.db2.gz XQGAJQQISNEDEG-STQMWFEESA-N 0 3 306.406 2.196 20 10 DECDHN COc1ccc([C@@H](CO)C[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000839185531 637812821 /nfs/dbraw/zinc/81/28/21/637812821.db2.gz VRWTYMWKGGDOQJ-CQSZACIVSA-N 0 3 305.349 2.406 20 10 DECDHN Cc1cc(N(C)C)ccc1CN1CCC[C@@H]1C(=O)NC1CC1 ZINC000840909374 650376668 /nfs/dbraw/zinc/37/66/68/650376668.db2.gz AMKOEIYKXARQMJ-QGZVFWFLSA-N 0 3 301.434 2.304 20 10 DECDHN Cc1cc(N(C)C)ccc1CNC[C@@H]1CCCCS1(=O)=O ZINC000840935836 650389040 /nfs/dbraw/zinc/38/90/40/650389040.db2.gz AFWIIFXDEOPBFF-INIZCTEOSA-N 0 3 310.463 2.118 20 10 DECDHN Cc1cc(N(C)C)ccc1CNCC1(S(C)(=O)=O)CCC1 ZINC000840940754 650390112 /nfs/dbraw/zinc/39/01/12/650390112.db2.gz FHFXENNHLKPJTG-UHFFFAOYSA-N 0 3 310.463 2.118 20 10 DECDHN Cc1cc(N(C)C)ccc1CN1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000840941425 650391537 /nfs/dbraw/zinc/39/15/37/650391537.db2.gz WRWFGEUHMROWOM-QAPCUYQASA-N 0 3 304.434 2.441 20 10 DECDHN COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1c([O-])cccc1OC)C2 ZINC000895583690 638095876 /nfs/dbraw/zinc/09/58/76/638095876.db2.gz OXTPZSHPVPQXIT-SJCJKPOMSA-N 0 3 305.374 2.176 20 10 DECDHN COC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1c([O-])cccc1OC)C2 ZINC000895583690 638095883 /nfs/dbraw/zinc/09/58/83/638095883.db2.gz OXTPZSHPVPQXIT-SJCJKPOMSA-N 0 3 305.374 2.176 20 10 DECDHN CCOc1ccc(C[N@H+](C[C@@H]2CCC(=O)N2)C(C)C)c([O-])c1 ZINC000840977928 650398827 /nfs/dbraw/zinc/39/88/27/650398827.db2.gz YQIVLGAPAWGBLI-AWEZNQCLSA-N 0 3 306.406 2.280 20 10 DECDHN CCOc1ccc(C[N@@H+](C[C@@H]2CCC(=O)N2)C(C)C)c([O-])c1 ZINC000840977928 650398829 /nfs/dbraw/zinc/39/88/29/650398829.db2.gz YQIVLGAPAWGBLI-AWEZNQCLSA-N 0 3 306.406 2.280 20 10 DECDHN COc1ccc(CN[C@H]2CCCn3nccc32)c(O)c1OC ZINC000895879898 638242091 /nfs/dbraw/zinc/24/20/91/638242091.db2.gz DRNROULSVHWANB-LBPRGKRZSA-N 0 3 303.362 2.231 20 10 DECDHN COc1ccc(CN2CC[C@H](c3noc(C)n3)C2)c(O)c1OC ZINC000896231658 638426400 /nfs/dbraw/zinc/42/64/00/638426400.db2.gz SJCGGXGZHRMZJW-LBPRGKRZSA-N 0 3 319.361 2.090 20 10 DECDHN CCOC(=O)[C@@H]1[C@@H]2CCN(Cc3cc(OC)ccc3O)C[C@@H]21 ZINC000896447610 638528145 /nfs/dbraw/zinc/52/81/45/638528145.db2.gz ZOWVVFLXPXZXPZ-IJEWVQPXSA-N 0 3 305.374 2.032 20 10 DECDHN C[C@H](NC[C@@H]1CCCCS1(=O)=O)c1ccc(N(C)C)cc1 ZINC000753729072 639335295 /nfs/dbraw/zinc/33/52/95/639335295.db2.gz DZGFDPLCGXFFEC-BBRMVZONSA-N 0 3 310.463 2.371 20 10 DECDHN C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)[C@@H]1CN(C)CCO1 ZINC000756760206 639692777 /nfs/dbraw/zinc/69/27/77/639692777.db2.gz POECNJYJTNSHSA-MPXAEWJHSA-N 0 3 308.397 2.388 20 10 DECDHN COc1ccc(O)c([C@@H](C)NCC(=O)N2CCCC[C@H]2C)c1 ZINC000839538793 639752335 /nfs/dbraw/zinc/75/23/35/639752335.db2.gz GPQSFUHETLVIKX-CHWSQXEVSA-N 0 3 306.406 2.452 20 10 DECDHN COc1ccc(CNCc2ccc(N3CCOCC3)cc2)cn1 ZINC000237472004 640675720 /nfs/dbraw/zinc/67/57/20/640675720.db2.gz ZNSLLAVNGYGSJO-UHFFFAOYSA-N 0 3 313.401 2.217 20 10 DECDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NCC(F)(F)F ZINC000765386025 640771841 /nfs/dbraw/zinc/77/18/41/640771841.db2.gz QYIFDTUPSLIECS-QWRGUYRKSA-N 0 3 317.355 2.470 20 10 DECDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000925313806 640810101 /nfs/dbraw/zinc/81/01/01/640810101.db2.gz PNVPMXDJSIVUEZ-PBHICJAKSA-N 0 3 318.465 2.377 20 10 DECDHN CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccccc2[O-])CCOCC1 ZINC000897745530 640927884 /nfs/dbraw/zinc/92/78/84/640927884.db2.gz JOYBZHIJLWMASD-CYBMUJFWSA-N 0 3 307.390 2.230 20 10 DECDHN CC(C)[C@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCS1 ZINC000768465373 641084815 /nfs/dbraw/zinc/08/48/15/641084815.db2.gz HNYSIJXHIAZERU-GDBMZVCRSA-N 0 3 309.431 2.391 20 10 DECDHN CC(C)[C@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCS1 ZINC000768465373 641084818 /nfs/dbraw/zinc/08/48/18/641084818.db2.gz HNYSIJXHIAZERU-GDBMZVCRSA-N 0 3 309.431 2.391 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c([O-])c1 ZINC000769188811 641190988 /nfs/dbraw/zinc/19/09/88/641190988.db2.gz JIYHUEBXYZJVSZ-ZDUSSCGKSA-N 0 3 306.406 2.268 20 10 DECDHN CCOc1ccc(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)c([O-])c1 ZINC000769188811 641190994 /nfs/dbraw/zinc/19/09/94/641190994.db2.gz JIYHUEBXYZJVSZ-ZDUSSCGKSA-N 0 3 306.406 2.268 20 10 DECDHN CCOc1ccc(C[NH+]2CCC(OCCOC)CC2)c([O-])c1 ZINC000769402247 641233396 /nfs/dbraw/zinc/23/33/96/641233396.db2.gz GIBZPQQHFFKSCX-UHFFFAOYSA-N 0 3 309.406 2.418 20 10 DECDHN C[C@H](NCc1cnc(N(C)C)n1C)c1ccc(N(C)C)cc1 ZINC000842205538 650670977 /nfs/dbraw/zinc/67/09/77/650670977.db2.gz HIJXXGCNELXBEO-ZDUSSCGKSA-N 0 3 301.438 2.403 20 10 DECDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H]1CCN1C1CCOCC1)CC2 ZINC000927103799 641628618 /nfs/dbraw/zinc/62/86/18/641628618.db2.gz SQLDHDMKQIMSJY-HOTGVXAUSA-N 0 3 302.418 2.222 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=O)NC/C=C\Cl)N(C)C)cc1 ZINC000899029267 641905053 /nfs/dbraw/zinc/90/50/53/641905053.db2.gz JBPVZXARSUYFAT-WSVPDTOYSA-N 0 3 324.856 2.407 20 10 DECDHN CCC[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CCO1 ZINC000775709601 642082754 /nfs/dbraw/zinc/08/27/54/642082754.db2.gz VHCOEDHFXLYMQI-IBGZPJMESA-N 0 3 317.477 2.439 20 10 DECDHN CN(C)c1ccc([C@@H](CNC(=S)NC2(C)CC2)N(C)C)cc1 ZINC000899725748 642150592 /nfs/dbraw/zinc/15/05/92/642150592.db2.gz ZPGLJPXBLXRNEF-OAHLLOKOSA-N 0 3 320.506 2.372 20 10 DECDHN CCOC1(C)CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000793544416 644270472 /nfs/dbraw/zinc/27/04/72/644270472.db2.gz WCGKDFZLDPLJDI-OAHLLOKOSA-N 0 3 307.390 2.209 20 10 DECDHN CCN(CC)c1ccc(CN2CCN(C[C@H](C)O)C[C@H]2C)cc1 ZINC000793591025 644277078 /nfs/dbraw/zinc/27/70/78/644277078.db2.gz QKJRSBKOOFZQJA-SJORKVTESA-N 0 3 319.493 2.420 20 10 DECDHN CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cc(C)ccc3[O-])[C@@H]2C1 ZINC000808445806 646086095 /nfs/dbraw/zinc/08/60/95/646086095.db2.gz ZXWCKXDRMJMCTI-USXIJHARSA-N 0 3 302.418 2.437 20 10 DECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCNC(=O)c2ccn[nH]2)c1[O-] ZINC000808712143 646131276 /nfs/dbraw/zinc/13/12/76/646131276.db2.gz CAYGKALAZIIBIP-JTQLQIEISA-N 0 3 322.796 2.158 20 10 DECDHN COCC[C@H]1COCC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000812298592 646628967 /nfs/dbraw/zinc/62/89/67/646628967.db2.gz XVJKOSGNYQPGFJ-AWEZNQCLSA-N 0 3 302.374 2.178 20 10 DECDHN COCC[C@H]1COCC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000812298592 646628968 /nfs/dbraw/zinc/62/89/68/646628968.db2.gz XVJKOSGNYQPGFJ-AWEZNQCLSA-N 0 3 302.374 2.178 20 10 DECDHN CCOc1cccc(CN2CCC(OC(=O)N(C)C)CC2)c1O ZINC000816654412 647163308 /nfs/dbraw/zinc/16/33/08/647163308.db2.gz GYTNKGSMDUTNAC-UHFFFAOYSA-N 0 3 322.405 2.454 20 10 DECDHN COc1cccc(CNC2CN(C(=O)OC(C)(C)C)C2)c1O ZINC000152504580 647199984 /nfs/dbraw/zinc/19/99/84/647199984.db2.gz JNAAHFPDYODNET-UHFFFAOYSA-N 0 3 308.378 2.110 20 10 DECDHN CCC[N@@H+]1CC[C@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC000914338573 647271955 /nfs/dbraw/zinc/27/19/55/647271955.db2.gz ZEYYUKTZTIVEHZ-GFCCVEGCSA-N 0 3 309.385 2.062 20 10 DECDHN CCC[N@H+]1CC[C@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC000914338573 647271957 /nfs/dbraw/zinc/27/19/57/647271957.db2.gz ZEYYUKTZTIVEHZ-GFCCVEGCSA-N 0 3 309.385 2.062 20 10 DECDHN CN1C(=O)CC[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1=O ZINC000818233986 647437441 /nfs/dbraw/zinc/43/74/41/647437441.db2.gz RWPBZLRNXCYNNA-INIZCTEOSA-N 0 3 324.380 2.296 20 10 DECDHN COc1ccc(O)c([C@@H](C)NCC(=O)N(C)c2nccs2)c1 ZINC000182434663 648906541 /nfs/dbraw/zinc/90/65/41/648906541.db2.gz MTAXAVVIKIZXPG-SNVBAGLBSA-N 0 3 321.402 2.171 20 10 DECDHN Cc1cc([C@@H](N)CC(=O)NCc2ccccc2O)cc(Cl)n1 ZINC000828015571 649121246 /nfs/dbraw/zinc/12/12/46/649121246.db2.gz JBKOHRALUZKJGG-ZDUSSCGKSA-N 0 3 319.792 2.455 20 10 DECDHN CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000185021820 649423543 /nfs/dbraw/zinc/42/35/43/649423543.db2.gz WXXRTGHQWYFKMG-KGLIPLIRSA-N 0 3 309.429 2.208 20 10 DECDHN COc1ccc(C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)c([O-])c1 ZINC000733329012 649543786 /nfs/dbraw/zinc/54/37/86/649543786.db2.gz KAXKEHRNNMJVJH-KRWDZBQOSA-N 0 3 320.433 2.134 20 10 DECDHN C[C@@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1cc(F)ccc1[O-] ZINC000185578331 649563116 /nfs/dbraw/zinc/56/31/16/649563116.db2.gz HUXYEQSQCQPWLI-LLVKDONJSA-N 0 3 318.348 2.246 20 10 DECDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCNC2=O)c1[O-] ZINC000850481035 651936722 /nfs/dbraw/zinc/93/67/22/651936722.db2.gz GUOWMDHBXIXEFW-KWQFWETISA-N 0 3 313.195 2.002 20 10 DECDHN Cc1noc([C@H]2OCC[C@H]2NCc2ccc(N(C)C)c(F)c2)n1 ZINC000858327328 652307545 /nfs/dbraw/zinc/30/75/45/652307545.db2.gz OTFJEMQSWQDYEY-HIFRSBDPSA-N 0 3 320.368 2.203 20 10 DECDHN CCOc1ccc(O)c(CN2CCC[C@@H](N3CCCC3=O)C2)c1 ZINC000093278713 684048843 /nfs/dbraw/zinc/04/88/43/684048843.db2.gz MGHKDXIGFBEMET-OAHLLOKOSA-N 0 3 318.417 2.378 20 10 DECDHN CC[C@@H](C(=O)NCc1ccc(N2CCSCC2)cc1)N(C)C ZINC000126444316 684154395 /nfs/dbraw/zinc/15/43/95/684154395.db2.gz YACUHVRGCJCWOQ-INIZCTEOSA-N 0 3 321.490 2.196 20 10 DECDHN CCN1CCCN(C(=O)NCc2ccc(N(C)C)cc2C)CC1 ZINC000159868995 684322828 /nfs/dbraw/zinc/32/28/28/684322828.db2.gz PUJMKWIDKUXLLD-UHFFFAOYSA-N 0 3 318.465 2.298 20 10 DECDHN COC(=O)C1=CC[C@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000862467263 686306437 /nfs/dbraw/zinc/30/64/37/686306437.db2.gz UNDAQQWAHBIQTR-LBPRGKRZSA-N 0 3 311.765 2.406 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H]3CC[C@@H](C1)S3)[C@@H](O)CO2 ZINC000863294552 686470038 /nfs/dbraw/zinc/47/00/38/686470038.db2.gz HYCGGJOJFWKMEK-XUJVJEKNSA-N 0 3 307.415 2.288 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H]3CC[C@@H](C1)S3)[C@@H](O)CO2 ZINC000863294552 686470039 /nfs/dbraw/zinc/47/00/39/686470039.db2.gz HYCGGJOJFWKMEK-XUJVJEKNSA-N 0 3 307.415 2.288 20 10 DECDHN COC(=O)/C=C(/C)CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000929971235 694061301 /nfs/dbraw/zinc/06/13/01/694061301.db2.gz NXAQZRDITBNDIJ-DNXIFWLFSA-N 0 3 319.401 2.493 20 10 DECDHN O=c1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)c[nH]1 ZINC000865419265 687204749 /nfs/dbraw/zinc/20/47/49/687204749.db2.gz UZMPPALMBZGBEJ-UHFFFAOYSA-N 0 3 317.364 2.053 20 10 DECDHN CN(C)c1ccc(/C=C\CNC2CN(c3ccncn3)C2)cc1 ZINC000865747108 687321304 /nfs/dbraw/zinc/32/13/04/687321304.db2.gz OJGRSTGSYJIUSG-ARJAWSKDSA-N 0 3 309.417 2.034 20 10 DECDHN COCC1(NCc2ccc(OC)c(Cn3cccn3)c2)CC1 ZINC000873080220 689155938 /nfs/dbraw/zinc/15/59/38/689155938.db2.gz LXTNIUUYVCIJIR-UHFFFAOYSA-N 0 3 301.390 2.209 20 10 DECDHN Cc1ccc(C[NH2+]C[C@@H](O)COc2cccc(F)c2)c([O-])c1 ZINC000876966135 689984858 /nfs/dbraw/zinc/98/48/58/689984858.db2.gz NTTNNQMCWIPZKV-OAHLLOKOSA-N 0 3 305.349 2.369 20 10 DECDHN Cc1ccc(C[NH2+]CCCN2C(=O)c3ccccc3C2=O)c([O-])c1 ZINC000877519515 690139246 /nfs/dbraw/zinc/13/92/46/690139246.db2.gz KPDKNFOOPYYBDT-UHFFFAOYSA-N 0 3 324.380 2.477 20 10 DECDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2[O-])[C@H]1n1cccn1 ZINC000877555393 690150912 /nfs/dbraw/zinc/15/09/12/690150912.db2.gz WUQMAUCCLAADLJ-DJIMGWMZSA-N 0 3 301.390 2.405 20 10 DECDHN [O-]c1ccccc1C[N@H+](CCc1cnccn1)C[C@@H]1CCCO1 ZINC000878240428 690355753 /nfs/dbraw/zinc/35/57/53/690355753.db2.gz HKZHAESSKVGKKU-KRWDZBQOSA-N 0 3 313.401 2.406 20 10 DECDHN [O-]c1ccccc1C[N@@H+](CCc1cnccn1)C[C@@H]1CCCO1 ZINC000878240428 690355757 /nfs/dbraw/zinc/35/57/57/690355757.db2.gz HKZHAESSKVGKKU-KRWDZBQOSA-N 0 3 313.401 2.406 20 10 DECDHN CNC(=O)NC[C@@H]1CCCCN1Cc1ccc(N(C)C)cc1 ZINC000879335067 690621962 /nfs/dbraw/zinc/62/19/62/690621962.db2.gz PRPLEVMLSBVLMZ-INIZCTEOSA-N 0 3 304.438 2.036 20 10 DECDHN CCN(CC(F)(F)F)C(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879649701 690699351 /nfs/dbraw/zinc/69/93/51/690699351.db2.gz CKNLTUQIWWJAGB-JTQLQIEISA-N 0 3 304.312 2.454 20 10 DECDHN CN(C)c1ccc(/C=C\CN[C@@H]2CC(=O)N(CC3CC3)C2)cc1 ZINC000883402832 691498760 /nfs/dbraw/zinc/49/87/60/691498760.db2.gz BPNPQYVDPQNCDX-CWIOURORSA-N 0 3 313.445 2.366 20 10 DECDHN CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2c([O-])cccc2F)CC1 ZINC000886522319 692100658 /nfs/dbraw/zinc/10/06/58/692100658.db2.gz HDTQEMWXQQMCDQ-GJZGRUSLSA-N 0 3 323.456 2.456 20 10 DECDHN CC[C@H](C)C[C@@H](N)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001343446052 1150742795 /nfs/dbraw/zinc/74/27/95/1150742795.db2.gz ZEHAQHOBGICHIF-GXTWGEPZSA-N 0 3 305.422 2.242 20 10 DECDHN NC(=O)NC1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000093051101 779241736 /nfs/dbraw/zinc/24/17/36/779241736.db2.gz MHNJVFSGKYBFJK-UHFFFAOYSA-N 0 3 316.449 2.310 20 10 DECDHN Nc1ccc(CN2CCCN(Cc3cscn3)CC2)cc1 ZINC001120370545 781910200 /nfs/dbraw/zinc/91/02/00/781910200.db2.gz AAFQBVIREFNLFU-UHFFFAOYSA-N 0 3 302.447 2.433 20 10 DECDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CC(=O)N(C(=O)OC(C)(C)C)C1 ZINC001171718544 793182940 /nfs/dbraw/zinc/18/29/40/793182940.db2.gz WIXXHUPTCXXOAO-CYBMUJFWSA-N 0 3 320.389 2.360 20 10 DECDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CC(=O)N(C(=O)OC(C)(C)C)C1 ZINC001171718544 793182952 /nfs/dbraw/zinc/18/29/52/793182952.db2.gz WIXXHUPTCXXOAO-CYBMUJFWSA-N 0 3 320.389 2.360 20 10 DECDHN Cc1nccnc1O[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140060278 796472086 /nfs/dbraw/zinc/47/20/86/796472086.db2.gz SWVCRRHFUSNKQG-AWEZNQCLSA-N 0 3 303.337 2.283 20 10 DECDHN Cc1nccnc1O[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140060278 796472087 /nfs/dbraw/zinc/47/20/87/796472087.db2.gz SWVCRRHFUSNKQG-AWEZNQCLSA-N 0 3 303.337 2.283 20 10 DECDHN C[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2F)CC[C@H]1O ZINC001140660213 796552555 /nfs/dbraw/zinc/55/25/55/796552555.db2.gz JOGRVFNTHVFADQ-RDTXWAMCSA-N 0 3 322.424 2.255 20 10 DECDHN O[C@H]1CN(Cc2cc3c4c(c2)CCCN4CCC3)CC[C@@H]1F ZINC001141074864 796631703 /nfs/dbraw/zinc/63/17/03/796631703.db2.gz VNCNIZGIWFPCKW-IRXDYDNUSA-N 0 3 304.409 2.290 20 10 DECDHN CN1CCOc2cc(CN3CCC[C@]4(CCC(=O)O4)C3)ccc21 ZINC001141145684 796639803 /nfs/dbraw/zinc/63/98/03/796639803.db2.gz YCBNTIGALCOAMS-SFHVURJKSA-N 0 3 316.401 2.187 20 10 DECDHN Cc1cnc(O[C@H]2CCCN(Cc3cc(O)ccc3O)C2)nc1 ZINC001141162833 796642924 /nfs/dbraw/zinc/64/29/24/796642924.db2.gz GTJOUNGJDFBLIA-HNNXBMFYSA-N 0 3 315.373 2.240 20 10 DECDHN [O-]c1ccc(Br)cc1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000220314547 799401792 /nfs/dbraw/zinc/40/17/92/799401792.db2.gz PLQOFBPBBSXXNK-OLZOCXBDSA-N 0 3 311.223 2.481 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@H](CO)CC(F)(F)F)c1[O-] ZINC000717826889 799474048 /nfs/dbraw/zinc/47/40/48/799474048.db2.gz CTPXOACNBFERCW-VIFPVBQESA-N 0 3 313.703 2.457 20 10 DECDHN COc1cc(Cl)cc(CN[C@H](CO)CC(F)(F)F)c1O ZINC000717826889 799474052 /nfs/dbraw/zinc/47/40/52/799474052.db2.gz CTPXOACNBFERCW-VIFPVBQESA-N 0 3 313.703 2.457 20 10 DECDHN O=C1C[C@]2(CC[N@@H+](Cc3ccccc3[O-])C2)CN1c1ccccn1 ZINC001203556908 800078674 /nfs/dbraw/zinc/07/86/74/800078674.db2.gz WWGBMTVAXZEFPK-IBGZPJMESA-N 0 3 323.396 2.416 20 10 DECDHN O=C1C[C@]2(CC[N@H+](Cc3ccccc3[O-])C2)CN1c1ccccn1 ZINC001203556908 800078680 /nfs/dbraw/zinc/07/86/80/800078680.db2.gz WWGBMTVAXZEFPK-IBGZPJMESA-N 0 3 323.396 2.416 20 10 DECDHN O=C(N[C@@H]1CCCN(Cc2ccccc2O)C1)c1ccncc1 ZINC001203561201 800080025 /nfs/dbraw/zinc/08/00/25/800080025.db2.gz NGJNWWQMJJEWFX-MRXNPFEDSA-N 0 3 311.385 2.182 20 10 DECDHN O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1)c1ccncc1 ZINC001203561201 800080033 /nfs/dbraw/zinc/08/00/33/800080033.db2.gz NGJNWWQMJJEWFX-MRXNPFEDSA-N 0 3 311.385 2.182 20 10 DECDHN O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1)c1ccncc1 ZINC001203561201 800080040 /nfs/dbraw/zinc/08/00/40/800080040.db2.gz NGJNWWQMJJEWFX-MRXNPFEDSA-N 0 3 311.385 2.182 20 10 DECDHN COc1ccc(O)c(CN2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)c1 ZINC001203675420 800104219 /nfs/dbraw/zinc/10/42/19/800104219.db2.gz WKSDEZHFBUTCEJ-LZLYRXPVSA-N 0 3 319.401 2.027 20 10 DECDHN O=C1CCN(Cc2ccc(N3CCCC3)cc2)C[C@H]2CCCN12 ZINC001204329648 800205337 /nfs/dbraw/zinc/20/53/37/800205337.db2.gz TYVGIUGCLRVCFM-GOSISDBHSA-N 0 3 313.445 2.484 20 10 DECDHN Cc1cccc(CN2CCN(CCc3ccncc3)CC2)c1O ZINC001231593245 801692189 /nfs/dbraw/zinc/69/21/89/801692189.db2.gz SCHWMFZFZCWITQ-UHFFFAOYSA-N 0 3 311.429 2.456 20 10 DECDHN COc1cc(N(C)C)ccc1CN1CCN(C2CCC2)CC1 ZINC001231847744 801737627 /nfs/dbraw/zinc/73/76/27/801737627.db2.gz CDHLPCNCFNTUKA-UHFFFAOYSA-N 0 3 303.450 2.431 20 10 DECDHN C[C@@H]1C[C@@H](O)CN1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232193965 801812609 /nfs/dbraw/zinc/81/26/09/801812609.db2.gz CYNWNRJBDSZONA-TZMCWYRMSA-N 0 3 310.825 2.132 20 10 DECDHN COC(=O)C[C@H]1CCN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC001233291049 802065614 /nfs/dbraw/zinc/06/56/14/802065614.db2.gz IRJRDHSWHHWOMV-SNVBAGLBSA-N 0 3 313.781 2.439 20 10 DECDHN C[C@@H]1C[C@@H](Oc2cccc3c2C(=O)c2c([O-])cccc2C3=O)C[NH2+]1 ZINC001218036544 802135079 /nfs/dbraw/zinc/13/50/79/802135079.db2.gz AWGWEAKUKLJLHQ-GHMZBOCLSA-N 0 3 323.348 2.297 20 10 DECDHN [O-]c1c(C[NH+]2CCC(CO)CC2)cccc1OC(F)(F)F ZINC001233737217 802194006 /nfs/dbraw/zinc/19/40/06/802194006.db2.gz ZNUBCQJWWODBAO-UHFFFAOYSA-N 0 3 305.296 2.495 20 10 DECDHN COc1ccc(N)c(NC(=O)C[C@@H]([NH3+])c2ccccc2[O-])c1 ZINC001219142217 802289854 /nfs/dbraw/zinc/28/98/54/802289854.db2.gz MGQAKNQBCYQSDQ-CYBMUJFWSA-N 0 3 301.346 2.012 20 10 DECDHN Cc1ccc(C)n1-c1ccc(C(=O)NOCCN(C)C)cc1 ZINC001330819283 1149306395 /nfs/dbraw/zinc/30/63/95/1149306395.db2.gz LUZIETBSEOJTHR-UHFFFAOYSA-N 0 3 301.390 2.317 20 10 DECDHN CS(=O)(=O)Cc1ccc(CNCc2ccc(N)cc2)cc1 ZINC001345160151 1150869661 /nfs/dbraw/zinc/86/96/61/1150869661.db2.gz SHWUMLKZSNGBFS-UHFFFAOYSA-N 0 3 304.415 2.103 20 10 DECDHN CCN(C)c1ccc(CN2CC[C@H]3COC(=O)N[C@@H]3C2)cc1 ZINC001619792067 1078161067 /nfs/dbraw/zinc/16/10/67/1078161067.db2.gz QKXPRFWTXXYKPN-GOEBONIOSA-N 0 3 303.406 2.073 20 10 DECDHN COc1cc(C)c(C[N@H+](C)CCCNC(=O)C2CCC2)c([O-])c1 ZINC001560753954 1075145519 /nfs/dbraw/zinc/14/55/19/1075145519.db2.gz VARDLMJGWYHLQC-UHFFFAOYSA-N 0 3 320.433 2.447 20 10 DECDHN COc1cc(C)c(C[N@@H+](C)CCCNC(=O)C2CCC2)c([O-])c1 ZINC001560753954 1075145521 /nfs/dbraw/zinc/14/55/21/1075145521.db2.gz VARDLMJGWYHLQC-UHFFFAOYSA-N 0 3 320.433 2.447 20 10 DECDHN C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609778520 1077921550 /nfs/dbraw/zinc/92/15/50/1077921550.db2.gz NQHXZJORYMRQLV-DOERSZECSA-N 0 3 304.390 2.129 20 10 DECDHN C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609778528 1077921832 /nfs/dbraw/zinc/92/18/32/1077921832.db2.gz NQHXZJORYMRQLV-SCUASFONSA-N 0 3 304.390 2.129 20 10 DECDHN COc1cc(C)c(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c([O-])c1 ZINC001658228240 1080202103 /nfs/dbraw/zinc/20/21/03/1080202103.db2.gz YTBODBWANRWLEJ-ZDUSSCGKSA-N 0 3 307.390 2.294 20 10 DECDHN COc1cc(C)c(C[N@H+]2CCC[C@H](C3OCCO3)C2)c([O-])c1 ZINC001658228240 1080202109 /nfs/dbraw/zinc/20/21/09/1080202109.db2.gz YTBODBWANRWLEJ-ZDUSSCGKSA-N 0 3 307.390 2.294 20 10 DECDHN O=C(c1cccc(O)c1[O-])N1CC[C@H]2C[N@@H+](C3CCCC3)C[C@H]21 ZINC001269607739 1081306439 /nfs/dbraw/zinc/30/64/39/1081306439.db2.gz IIHBJWARJHNIGO-SWLSCSKDSA-N 0 3 316.401 2.187 20 10 DECDHN O=C(c1cccc(O)c1[O-])N1CC[C@H]2C[N@H+](C3CCCC3)C[C@H]21 ZINC001269607739 1081306444 /nfs/dbraw/zinc/30/64/44/1081306444.db2.gz IIHBJWARJHNIGO-SWLSCSKDSA-N 0 3 316.401 2.187 20 10 DECDHN CN1CCN(C2CN(Cc3ccc(C(C)(C)C)cc3O)C2)CC1 ZINC001235681521 1084496522 /nfs/dbraw/zinc/49/65/22/1084496522.db2.gz MWMAKLFDZDGGFO-UHFFFAOYSA-N 0 3 317.477 2.121 20 10 DECDHN C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(C(=O)[O-])ccc3[O-])(C1)CCC2 ZINC001276055652 1091496619 /nfs/dbraw/zinc/49/66/19/1091496619.db2.gz MQAFKFSLPFXHJB-DLBZAZTESA-N 0 3 304.390 2.245 20 10 DECDHN CC(C)NC(=O)N1C[C@@H]2CC[N@H+](Cc3cc(F)ccc3[O-])[C@@H]2C1 ZINC001275913207 1092298983 /nfs/dbraw/zinc/29/89/83/1092298983.db2.gz KTERQPBQQKXOLZ-SWLSCSKDSA-N 0 3 321.396 2.155 20 10 DECDHN CC(C)NC(=O)N1C[C@@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])[C@@H]2C1 ZINC001275913207 1092298989 /nfs/dbraw/zinc/29/89/89/1092298989.db2.gz KTERQPBQQKXOLZ-SWLSCSKDSA-N 0 3 321.396 2.155 20 10 DECDHN [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1CCc2nncn2CC1 ZINC001237077376 1138500653 /nfs/dbraw/zinc/50/06/53/1138500653.db2.gz GOZJAJUSVJFNBS-UHFFFAOYSA-N 0 3 313.188 2.349 20 10 DECDHN [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1CCc2nncn2CC1 ZINC001237077376 1138500661 /nfs/dbraw/zinc/50/06/61/1138500661.db2.gz GOZJAJUSVJFNBS-UHFFFAOYSA-N 0 3 313.188 2.349 20 10 DECDHN COC[C@H]1CN(Cc2c(C)cccc2O)Cc2cn(C)nc21 ZINC001237484849 1138651836 /nfs/dbraw/zinc/65/18/36/1138651836.db2.gz BIQXYZIWALSIET-CQSZACIVSA-N 0 3 301.390 2.180 20 10 DECDHN Cc1cc(Cl)cc(C[NH+]2CCC3(CNC(=O)N3)CC2)c1[O-] ZINC001237688410 1138758908 /nfs/dbraw/zinc/75/89/08/1138758908.db2.gz IXXCLBZXSGHACF-UHFFFAOYSA-N 0 3 309.797 2.001 20 10 DECDHN [O-]c1cc(O)ccc1C[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC001250686177 1142266630 /nfs/dbraw/zinc/26/66/30/1142266630.db2.gz OVXRNSSPUAJBGS-AWEZNQCLSA-N 0 3 323.776 2.281 20 10 DECDHN COc1ccc(CN[C@@H](CO)c2ccc(F)cc2)c(O)c1OC ZINC001336797581 1142575216 /nfs/dbraw/zinc/57/52/16/1142575216.db2.gz NDEQLPAHJUWDCP-AWEZNQCLSA-N 0 3 321.348 2.372 20 10 DECDHN CC1CCN(CCNC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000048141103 354343570 /nfs/dbraw/zinc/34/35/70/354343570.db2.gz CHOQRAIJMNCBHW-UHFFFAOYSA-N 0 3 318.465 2.284 20 10 DECDHN COc1cccc(C[N@@H+]2CCC[C@@H](c3nc(C)no3)C2)c1[O-] ZINC000091832993 193114615 /nfs/dbraw/zinc/11/46/15/193114615.db2.gz YQSOTNWRVXRKNQ-CYBMUJFWSA-N 0 3 303.362 2.472 20 10 DECDHN COc1cccc(C[N@H+]2CCC[C@@H](c3nc(C)no3)C2)c1[O-] ZINC000091832993 193114617 /nfs/dbraw/zinc/11/46/17/193114617.db2.gz YQSOTNWRVXRKNQ-CYBMUJFWSA-N 0 3 303.362 2.472 20 10 DECDHN COc1cccc(CN2CCC(c3nc(C)no3)CC2)c1O ZINC000091836129 193115693 /nfs/dbraw/zinc/11/56/93/193115693.db2.gz BQXFPJZGUBKDSY-UHFFFAOYSA-N 0 3 303.362 2.472 20 10 DECDHN CCOc1ccc(O)c(CN2CCS[C@H]3COCC[C@@H]32)c1 ZINC000091856650 193118945 /nfs/dbraw/zinc/11/89/45/193118945.db2.gz YFQUYWQZROOXJP-HOCLYGCPSA-N 0 3 309.431 2.497 20 10 DECDHN CCOc1ccc([O-])c(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC000091856650 193118946 /nfs/dbraw/zinc/11/89/46/193118946.db2.gz YFQUYWQZROOXJP-HOCLYGCPSA-N 0 3 309.431 2.497 20 10 DECDHN CCOc1ccc([O-])c(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC000091856650 193118948 /nfs/dbraw/zinc/11/89/48/193118948.db2.gz YFQUYWQZROOXJP-HOCLYGCPSA-N 0 3 309.431 2.497 20 10 DECDHN COc1ccc([O-])c(C[NH2+]C[C@H](O)CCc2ccccc2)c1 ZINC000273167197 130094151 /nfs/dbraw/zinc/09/41/51/130094151.db2.gz LPFBFXRXKDKMSK-MRXNPFEDSA-N 0 3 301.386 2.484 20 10 DECDHN CCN1CC[C@@H](C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])C1 ZINC000273303919 130104830 /nfs/dbraw/zinc/10/48/30/130104830.db2.gz CGPJAMAWEINYSQ-STQMWFEESA-N 0 3 306.406 2.171 20 10 DECDHN CCOc1cccc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c1[O-] ZINC000289226379 131367092 /nfs/dbraw/zinc/36/70/92/131367092.db2.gz CSJPAKMEABKPIC-ZBFHGGJFSA-N 0 3 320.433 2.086 20 10 DECDHN CCOc1cccc(C[N@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c1[O-] ZINC000289226379 131367093 /nfs/dbraw/zinc/36/70/93/131367093.db2.gz CSJPAKMEABKPIC-ZBFHGGJFSA-N 0 3 320.433 2.086 20 10 DECDHN CCN1CCC[C@H]1CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000078400364 401849713 /nfs/dbraw/zinc/84/97/13/401849713.db2.gz VXTCAWCMPIEIQF-INIZCTEOSA-N 0 3 304.438 2.036 20 10 DECDHN OC[C@]1(NCc2cc3c(cc2O)OCO3)CCc2ccccc21 ZINC000135908955 401955379 /nfs/dbraw/zinc/95/53/79/401955379.db2.gz DHAIOVXPRGXDEU-GOSISDBHSA-N 0 3 313.353 2.045 20 10 DECDHN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)CN1C1CC1 ZINC000119854302 401968700 /nfs/dbraw/zinc/96/87/00/401968700.db2.gz MRSFDAGJGJQZAR-UKRRQHHQSA-N 0 3 316.449 2.177 20 10 DECDHN CC[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cnn(C)c1 ZINC000151056949 402013601 /nfs/dbraw/zinc/01/36/01/402013601.db2.gz FNBDBCUSOPGXBR-GOSISDBHSA-N 0 3 314.433 2.498 20 10 DECDHN CN(C)c1ccc(CN2CCC(N3CCCNC3=O)CC2)cc1 ZINC000093668711 402018243 /nfs/dbraw/zinc/01/82/43/402018243.db2.gz SQIIHOAAILHNHY-UHFFFAOYSA-N 0 3 316.449 2.132 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](c3cc[nH]n3)C1)OCO2 ZINC000121272019 402024661 /nfs/dbraw/zinc/02/46/61/402024661.db2.gz VTWOZWUXWKDXKR-LLVKDONJSA-N 0 3 301.346 2.224 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](c3cc[nH]n3)C1)OCO2 ZINC000121272019 402024664 /nfs/dbraw/zinc/02/46/64/402024664.db2.gz VTWOZWUXWKDXKR-LLVKDONJSA-N 0 3 301.346 2.224 20 10 DECDHN CN(C)c1ccc(CNC(=O)CN2C[C@H]3CCC[C@@H]3C2)cc1 ZINC000152828891 402111406 /nfs/dbraw/zinc/11/14/06/402111406.db2.gz JYCIWZCCJWBKTE-HZPDHXFCSA-N 0 3 301.434 2.101 20 10 DECDHN CCN1CCN([C@H]2CC[N@H+](Cc3cc(C)c(C)cc3[O-])C2)CC1 ZINC000106854862 402217970 /nfs/dbraw/zinc/21/79/70/402217970.db2.gz XSDWQXXZHNHDHS-SFHVURJKSA-N 0 3 317.477 2.221 20 10 DECDHN CCN1CCN([C@H]2CC[N@@H+](Cc3cc(C)c(C)cc3[O-])C2)CC1 ZINC000106854862 402217971 /nfs/dbraw/zinc/21/79/71/402217971.db2.gz XSDWQXXZHNHDHS-SFHVURJKSA-N 0 3 317.477 2.221 20 10 DECDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)CCN2CCN(C)CC2)c([O-])c1 ZINC000186569685 402442905 /nfs/dbraw/zinc/44/29/05/402442905.db2.gz JGXACSUPLXPTTQ-HOTGVXAUSA-N 0 3 305.466 2.377 20 10 DECDHN CCOc1cccc(C[N@@H+]2CCOCC3(CCOCC3)C2)c1[O-] ZINC000183274860 402751989 /nfs/dbraw/zinc/75/19/89/402751989.db2.gz HFJOFQVDSOWABB-UHFFFAOYSA-N 0 3 321.417 2.420 20 10 DECDHN CCOc1cccc(C[N@H+]2CCOCC3(CCOCC3)C2)c1[O-] ZINC000183274860 402751992 /nfs/dbraw/zinc/75/19/92/402751992.db2.gz HFJOFQVDSOWABB-UHFFFAOYSA-N 0 3 321.417 2.420 20 10 DECDHN CCOc1cccc(CN2CCOCC3(CCOCC3)C2)c1O ZINC000183274860 402751994 /nfs/dbraw/zinc/75/19/94/402751994.db2.gz HFJOFQVDSOWABB-UHFFFAOYSA-N 0 3 321.417 2.420 20 10 DECDHN CCN(CC)c1ccc(CN[C@@H]2C(=O)NCC[C@H]2C)cc1F ZINC000193684748 402775450 /nfs/dbraw/zinc/77/54/50/402775450.db2.gz LUBWEJHZBIBSCG-WBMJQRKESA-N 0 3 307.413 2.286 20 10 DECDHN COc1c([O-])c(C[NH2+][C@H]2CCC[C@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000278472491 402866553 /nfs/dbraw/zinc/86/65/53/402866553.db2.gz HOOOCSJVROVMDA-STQMWFEESA-N 0 3 323.393 2.271 20 10 DECDHN COc1c([O-])c(CN[C@H]2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000278472491 402866554 /nfs/dbraw/zinc/86/65/54/402866554.db2.gz HOOOCSJVROVMDA-STQMWFEESA-N 0 3 323.393 2.271 20 10 DECDHN COc1cccc(CN2CCN(C3CCOCC3)C[C@@H]2C)c1O ZINC000278836500 402876619 /nfs/dbraw/zinc/87/66/19/402876619.db2.gz ZFPAZJJAWKCOAE-AWEZNQCLSA-N 0 3 320.433 2.086 20 10 DECDHN Cc1cccc(C[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)c1[O-] ZINC000271876986 402884711 /nfs/dbraw/zinc/88/47/11/402884711.db2.gz ZPFRIXAQBGRKCS-SJORKVTESA-N 0 3 301.386 2.275 20 10 DECDHN CC(C)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCS(=O)(=O)C1 ZINC000279887057 402965006 /nfs/dbraw/zinc/96/50/06/402965006.db2.gz DBAVSSQYIXPRLP-MRXNPFEDSA-N 0 3 324.490 2.398 20 10 DECDHN COc1cccc(CN2C[C@H](C)OC3(CCOCC3)C2)c1O ZINC000280386768 402994670 /nfs/dbraw/zinc/99/46/70/402994670.db2.gz FWANBEYTOVIGPC-ZDUSSCGKSA-N 0 3 307.390 2.171 20 10 DECDHN CC[C@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1ccc(C)cc1[O-] ZINC000280262033 402981168 /nfs/dbraw/zinc/98/11/68/402981168.db2.gz XGFZFGLSNHSGGW-JKSUJKDBSA-N 0 3 319.449 2.081 20 10 DECDHN CCN(C)c1ccc([C@H](C)NC[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000268786002 403113841 /nfs/dbraw/zinc/11/38/41/403113841.db2.gz ZSSQRIBRAPCTMQ-KBPBESRZSA-N 0 3 310.463 2.228 20 10 DECDHN COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000292712320 403375068 /nfs/dbraw/zinc/37/50/68/403375068.db2.gz DIYPPQDSYQDXDI-WBVHZDCISA-N 0 3 319.401 2.182 20 10 DECDHN CC[C@@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000285977133 403423460 /nfs/dbraw/zinc/42/34/60/403423460.db2.gz HMARHLMJRZXVTI-XJKSGUPXSA-N 0 3 309.429 2.208 20 10 DECDHN CN(CCCN(C)C(=O)c1cccc(O)c1O)Cc1ccco1 ZINC000286839493 403547562 /nfs/dbraw/zinc/54/75/62/403547562.db2.gz YCGNCIBJVNFVGZ-UHFFFAOYSA-N 0 3 318.373 2.285 20 10 DECDHN Cc1cccc(C[NH2+]CCCN2C(=O)c3ccccc3C2=O)c1[O-] ZINC000289897866 404007726 /nfs/dbraw/zinc/00/77/26/404007726.db2.gz WRCKXSHPTIYCEU-UHFFFAOYSA-N 0 3 324.380 2.477 20 10 DECDHN C[C@@H]1CN(CCC[NH2+][C@H]2CCc3cccc([O-])c32)C[C@@H](C)O1 ZINC000296164552 404123458 /nfs/dbraw/zinc/12/34/58/404123458.db2.gz XKJMEBRMVJWYEF-FMKPAKJESA-N 0 3 304.434 2.468 20 10 DECDHN C[C@@H]1C[C@@H](NCc2ccc(N3CCC(O)CC3)c(F)c2)[C@H](C)O1 ZINC000296505806 404279626 /nfs/dbraw/zinc/27/96/26/404279626.db2.gz RFLFDJIAUTYSGL-IIYDPXPESA-N 0 3 322.424 2.442 20 10 DECDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H](N(C)C)C1 ZINC000350030373 404299999 /nfs/dbraw/zinc/29/99/99/404299999.db2.gz BUNIUEPPPOSYLN-AWEZNQCLSA-N 0 3 314.433 2.332 20 10 DECDHN C[C@H](CNC(=O)Cc1ccc(N)cc1)N(C)Cc1ccccc1 ZINC000237418954 225211825 /nfs/dbraw/zinc/21/18/25/225211825.db2.gz OGXASCQLNNNBLE-OAHLLOKOSA-N 0 3 311.429 2.448 20 10 DECDHN CN(C)CCOc1cccc(NC(=O)Cc2ccc(N)cc2)c1 ZINC000262539417 225277604 /nfs/dbraw/zinc/27/76/04/225277604.db2.gz QWAMLGGJDPQFGF-UHFFFAOYSA-N 0 3 313.401 2.390 20 10 DECDHN COC[C@@H](CO)NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000296966626 226659817 /nfs/dbraw/zinc/65/98/17/226659817.db2.gz UQAYXEMXDYGOFF-OAHLLOKOSA-N 0 3 320.458 2.481 20 10 DECDHN Cn1ccnc1[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000369684810 227037259 /nfs/dbraw/zinc/03/72/59/227037259.db2.gz XQBNLFYDSYQONW-GFCCVEGCSA-N 0 3 315.373 2.234 20 10 DECDHN Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000369684810 227037264 /nfs/dbraw/zinc/03/72/64/227037264.db2.gz XQBNLFYDSYQONW-GFCCVEGCSA-N 0 3 315.373 2.234 20 10 DECDHN CNC(=O)[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000291972087 277249452 /nfs/dbraw/zinc/24/94/52/277249452.db2.gz UCMGXBDWHBXWBO-BDAKNGLRSA-N 0 3 315.211 2.248 20 10 DECDHN CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000188040679 519426741 /nfs/dbraw/zinc/42/67/41/519426741.db2.gz PGCJHKUFCYYLGY-KRWDZBQOSA-N 0 3 307.390 2.494 20 10 DECDHN CC(C)C[C@]1(CO)CCC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000188040679 519426747 /nfs/dbraw/zinc/42/67/47/519426747.db2.gz PGCJHKUFCYYLGY-KRWDZBQOSA-N 0 3 307.390 2.494 20 10 DECDHN CN(C)c1ccc(CN[C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000265879562 522213002 /nfs/dbraw/zinc/21/30/02/522213002.db2.gz OEHDBGXDVINKJZ-GOEBONIOSA-N 0 3 310.463 2.198 20 10 DECDHN Cc1cccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1[O-] ZINC000375015060 534711019 /nfs/dbraw/zinc/71/10/19/534711019.db2.gz CAFBDXBHQLFGDZ-SJLPKXTDSA-N 0 3 317.477 2.158 20 10 DECDHN Cc1cccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1[O-] ZINC000375015060 534711023 /nfs/dbraw/zinc/71/10/23/534711023.db2.gz CAFBDXBHQLFGDZ-SJLPKXTDSA-N 0 3 317.477 2.158 20 10 DECDHN Cc1cc(O)c(CN2CCN(CC(C)(C)O)C[C@@H]2C)cc1C ZINC000188848755 525313629 /nfs/dbraw/zinc/31/36/29/525313629.db2.gz HRFMUEYKLMBIJE-HNNXBMFYSA-N 0 3 306.450 2.286 20 10 DECDHN CCN1CC[C@H](NC(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000413504231 527861494 /nfs/dbraw/zinc/86/14/94/527861494.db2.gz PXZQFEJOIRMWRV-AWEZNQCLSA-N 0 3 314.433 2.380 20 10 DECDHN CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000370288666 528113790 /nfs/dbraw/zinc/11/37/90/528113790.db2.gz ONTLOVYFSKXVJE-GOSISDBHSA-N 0 3 321.417 2.492 20 10 DECDHN CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000370288666 528113793 /nfs/dbraw/zinc/11/37/93/528113793.db2.gz ONTLOVYFSKXVJE-GOSISDBHSA-N 0 3 321.417 2.492 20 10 DECDHN CN(C)c1ccc(/C=C/CN2CCC3(COC(=O)N3)CC2)cc1 ZINC000835048249 649871372 /nfs/dbraw/zinc/87/13/72/649871372.db2.gz OPOCUVJBGPWIMF-ONEGZZNKSA-N 0 3 315.417 2.340 20 10 DECDHN CN(C)c1ccc(/C=C/CN2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1 ZINC000835052137 649872274 /nfs/dbraw/zinc/87/22/74/649872274.db2.gz OGHIEBJRVJVKDY-JUPLKNRCSA-N 0 3 315.417 2.196 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]CCc2cnc(C)cn2)c1[O-] ZINC000835060146 649874020 /nfs/dbraw/zinc/87/40/20/649874020.db2.gz ATQNQCYSHWEADM-UHFFFAOYSA-N 0 3 307.781 2.485 20 10 DECDHN CN(C)c1ccc([C@H](CNC(=O)/C=C\C2CC2)N(C)C)cc1 ZINC000891254533 623800177 /nfs/dbraw/zinc/80/01/77/623800177.db2.gz ZGCNEFYRNVUNRR-PJCWUCBCSA-N 0 3 301.434 2.438 20 10 DECDHN Cc1nn(C)cc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000161009264 624199155 /nfs/dbraw/zinc/19/91/55/624199155.db2.gz WJZRUCMPRGMYTQ-AWEZNQCLSA-N 0 3 314.433 2.416 20 10 DECDHN CCC(=O)N1CCCN(Cc2cc(C)cc(OC)c2O)CC1 ZINC000164235151 625251600 /nfs/dbraw/zinc/25/16/00/625251600.db2.gz VRBKHXUCWLFDGC-UHFFFAOYSA-N 0 3 306.406 2.154 20 10 DECDHN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000734671618 633417327 /nfs/dbraw/zinc/41/73/27/633417327.db2.gz PKDDUFDVDWWKPV-OAHLLOKOSA-N 0 3 316.449 2.097 20 10 DECDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cc(N)ccn2)c1 ZINC000925767863 634842921 /nfs/dbraw/zinc/84/29/21/634842921.db2.gz QROFQDYWWSFNEG-SNVBAGLBSA-N 0 3 301.346 2.007 20 10 DECDHN C[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000922056280 635830806 /nfs/dbraw/zinc/83/08/06/635830806.db2.gz XOAZRVOJLXKINQ-WOSRLPQWSA-N 0 3 304.438 2.205 20 10 DECDHN COc1cc(Br)cc(C[NH2+][C@@H]2COC[C@@H]2C)c1[O-] ZINC000922641420 636296341 /nfs/dbraw/zinc/29/63/41/636296341.db2.gz LJCVPZQLHWDMAJ-GZMMTYOYSA-N 0 3 316.195 2.288 20 10 DECDHN CCN1CCN([C@H](C)C[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000113321840 636800081 /nfs/dbraw/zinc/80/00/81/636800081.db2.gz JVWBXGLSJAYCLO-CYBMUJFWSA-N 0 3 311.857 2.161 20 10 DECDHN COc1cc(C)cc(CNCc2n[nH]c(C(C)(C)C)n2)c1O ZINC000894985618 637361828 /nfs/dbraw/zinc/36/18/28/637361828.db2.gz LHJJJCABTJZZEA-UHFFFAOYSA-N 0 3 304.394 2.415 20 10 DECDHN Cc1nc([C@@H]2CCN(Cc3cc(F)c(N(C)C)cc3F)C2)n[nH]1 ZINC000895011858 637374857 /nfs/dbraw/zinc/37/48/57/637374857.db2.gz MCGBJTRNKRXOEB-LLVKDONJSA-N 0 3 321.375 2.447 20 10 DECDHN Cc1n[nH]c([C@@H]2CCN(Cc3cc(F)c(N(C)C)cc3F)C2)n1 ZINC000895011858 637374860 /nfs/dbraw/zinc/37/48/60/637374860.db2.gz MCGBJTRNKRXOEB-LLVKDONJSA-N 0 3 321.375 2.447 20 10 DECDHN Cc1nnc([C@@H]2CCN(Cc3cc(F)c(N(C)C)cc3F)C2)[nH]1 ZINC000895011858 637374865 /nfs/dbraw/zinc/37/48/65/637374865.db2.gz MCGBJTRNKRXOEB-LLVKDONJSA-N 0 3 321.375 2.447 20 10 DECDHN COc1ccc(N2CC[C@@H](NCc3ccc(OC)cn3)C2)cc1 ZINC000895308990 637912016 /nfs/dbraw/zinc/91/20/16/637912016.db2.gz FZLWZBGPXOCFQW-OAHLLOKOSA-N 0 3 313.401 2.467 20 10 DECDHN CCOc1ccc(CN2CCNC(=O)CC23CCC3)c(O)c1 ZINC000895928863 638271263 /nfs/dbraw/zinc/27/12/63/638271263.db2.gz SBZRLUMFWXHTJO-UHFFFAOYSA-N 0 3 304.390 2.036 20 10 DECDHN CCOc1ccc(C[N@@H+]2CCNC(=O)CC23CCC3)c([O-])c1 ZINC000895928863 638271264 /nfs/dbraw/zinc/27/12/64/638271264.db2.gz SBZRLUMFWXHTJO-UHFFFAOYSA-N 0 3 304.390 2.036 20 10 DECDHN CCOc1ccc(C[N@H+]2CCNC(=O)CC23CCC3)c([O-])c1 ZINC000895928863 638271267 /nfs/dbraw/zinc/27/12/67/638271267.db2.gz SBZRLUMFWXHTJO-UHFFFAOYSA-N 0 3 304.390 2.036 20 10 DECDHN CC(C)C[C@H](C[NH3+])NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841038849 650410777 /nfs/dbraw/zinc/41/07/77/650410777.db2.gz RPFCWJPQTPVXBS-LLVKDONJSA-N 0 3 301.774 2.417 20 10 DECDHN CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756703258 639687131 /nfs/dbraw/zinc/68/71/31/639687131.db2.gz AWTWBXWBFMJHBU-JBLDHEPKSA-N 0 3 315.410 2.492 20 10 DECDHN COc1cc(Cl)cc(C[NH2+]C2(CCO)CCOCC2)c1[O-] ZINC000761201729 640283853 /nfs/dbraw/zinc/28/38/53/640283853.db2.gz JEMNQLYQFPIPJY-UHFFFAOYSA-N 0 3 315.797 2.075 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](c3ccco3)C1)[C@@H](O)CO2 ZINC000768444383 641082063 /nfs/dbraw/zinc/08/20/63/641082063.db2.gz AQDSRVBXXPUGBZ-ABAIWWIYSA-N 0 3 301.342 2.401 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](c3ccco3)C1)[C@@H](O)CO2 ZINC000768444383 641082067 /nfs/dbraw/zinc/08/20/67/641082067.db2.gz AQDSRVBXXPUGBZ-ABAIWWIYSA-N 0 3 301.342 2.401 20 10 DECDHN Cc1cnc(CC[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)s1 ZINC000768466239 641084598 /nfs/dbraw/zinc/08/45/98/641084598.db2.gz WBWOOFVLWRJSOE-AWEZNQCLSA-N 0 3 320.414 2.257 20 10 DECDHN Cc1cnc(CC[N@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)s1 ZINC000768466239 641084601 /nfs/dbraw/zinc/08/46/01/641084601.db2.gz WBWOOFVLWRJSOE-AWEZNQCLSA-N 0 3 320.414 2.257 20 10 DECDHN CO[C@]1(C)C[C@H]([N@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)C1(C)C ZINC000768465780 641084865 /nfs/dbraw/zinc/08/48/65/641084865.db2.gz LDXJKVSHYBJCAR-QILLFSRXSA-N 0 3 321.417 2.453 20 10 DECDHN CO[C@]1(C)C[C@H]([N@@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)C1(C)C ZINC000768465780 641084870 /nfs/dbraw/zinc/08/48/70/641084870.db2.gz LDXJKVSHYBJCAR-QILLFSRXSA-N 0 3 321.417 2.453 20 10 DECDHN O=[N+]([O-])c1cc(CN2CC[C@@H](CO)C2)ccc1N1CCCCC1 ZINC000769236502 641201362 /nfs/dbraw/zinc/20/13/62/641201362.db2.gz AXRRBOIEKZCWQI-OAHLLOKOSA-N 0 3 319.405 2.399 20 10 DECDHN CCC[C@@H](O)[C@@H](CO)NCc1ccc(N(CC)CC)c(F)c1 ZINC000842224648 650673052 /nfs/dbraw/zinc/67/30/52/650673052.db2.gz DNOXIPKNTDWDKA-NVXWUHKLSA-N 0 3 312.429 2.283 20 10 DECDHN COc1cc(Cl)cc(CN2CCC(CO)(OC)CC2)c1O ZINC000775204960 642016435 /nfs/dbraw/zinc/01/64/35/642016435.db2.gz UNTSNCQXSIQWDA-UHFFFAOYSA-N 0 3 315.797 2.028 20 10 DECDHN CCCCNC(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775256104 642022324 /nfs/dbraw/zinc/02/23/24/642022324.db2.gz VNLZSNGNAAQLKN-HNNXBMFYSA-N 0 3 319.449 2.090 20 10 DECDHN COc1ccc(O)c([C@@H](C)NCc2cc(=O)c(OC)co2)c1 ZINC000775371973 642036448 /nfs/dbraw/zinc/03/64/48/642036448.db2.gz WMPIRFYIFBQKJO-SNVBAGLBSA-N 0 3 305.330 2.213 20 10 DECDHN NC(=O)[C@H](C[NH2+]Cc1ccccc1[O-])Cc1ccccc1Cl ZINC000776935423 642218462 /nfs/dbraw/zinc/21/84/62/642218462.db2.gz CDEWPAUHZGLKGH-AWEZNQCLSA-N 0 3 318.804 2.479 20 10 DECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000779192141 642471063 /nfs/dbraw/zinc/47/10/63/642471063.db2.gz GGZPOZHIZYIQGG-IBGZPJMESA-N 0 3 324.380 2.497 20 10 DECDHN COc1cccc([O-])c1C[N@H+]1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000779192141 642471065 /nfs/dbraw/zinc/47/10/65/642471065.db2.gz GGZPOZHIZYIQGG-IBGZPJMESA-N 0 3 324.380 2.497 20 10 DECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1)[C@H](O)CO2 ZINC000842618591 650783928 /nfs/dbraw/zinc/78/39/28/650783928.db2.gz SUVMJXIECHFKNU-XGWLTEMNSA-N 0 3 319.401 2.209 20 10 DECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1)[C@H](O)CO2 ZINC000842618591 650783929 /nfs/dbraw/zinc/78/39/29/650783929.db2.gz SUVMJXIECHFKNU-XGWLTEMNSA-N 0 3 319.401 2.209 20 10 DECDHN CNC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000783506012 643012858 /nfs/dbraw/zinc/01/28/58/643012858.db2.gz YVIXKIRKOWNTOD-ZDUSSCGKSA-N 0 3 314.385 2.368 20 10 DECDHN C[C@H]1C[C@H]([NH2+]CCN2CCCOCC2)c2c1c(F)ccc2[O-] ZINC000903225744 643288155 /nfs/dbraw/zinc/28/81/55/643288155.db2.gz AGEUKVDEJCFZTO-JSGCOSHPSA-N 0 3 308.397 2.392 20 10 DECDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c(O)c1 ZINC000903399437 643343822 /nfs/dbraw/zinc/34/38/22/643343822.db2.gz WJEQWIMVMTWJOB-CHWSQXEVSA-N 0 3 314.389 2.126 20 10 DECDHN COc1c([O-])c(CN2CCCC[C@@H]2CC[NH3+])ccc1[N+](=O)[O-] ZINC000843123884 650900548 /nfs/dbraw/zinc/90/05/48/650900548.db2.gz RHCXDNJTNNFVQU-GFCCVEGCSA-N 0 3 309.366 2.012 20 10 DECDHN COc1ccc(CNC(=O)c2cccc(CN(C)C)c2)c(O)c1 ZINC000794378378 644405319 /nfs/dbraw/zinc/40/53/19/644405319.db2.gz FTXPJRHOCIQUHY-UHFFFAOYSA-N 0 3 314.385 2.392 20 10 DECDHN COc1ccc(O)c(CNC(=O)C(C)(C)N2CCCCC2)c1 ZINC000907061658 644433056 /nfs/dbraw/zinc/43/30/56/644433056.db2.gz WNYFZVPTYJMITP-UHFFFAOYSA-N 0 3 306.406 2.282 20 10 DECDHN C[C@@H]1CN(Cc2cc3c(cc2O)CCC3)C[C@@]2(CCOC2)O1 ZINC000794704805 644463348 /nfs/dbraw/zinc/46/33/48/644463348.db2.gz NSNBLSIWJSCWEA-FZKQIMNGSA-N 0 3 303.402 2.261 20 10 DECDHN C[C@@]12C[N@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000840114659 645986733 /nfs/dbraw/zinc/98/67/33/645986733.db2.gz HSACNEDFKUXTGA-VEHNABEHSA-N 0 3 313.397 2.462 20 10 DECDHN C[C@@]12C[N@@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000840114659 645986737 /nfs/dbraw/zinc/98/67/37/645986737.db2.gz HSACNEDFKUXTGA-VEHNABEHSA-N 0 3 313.397 2.462 20 10 DECDHN COc1cc(CN2CCCc3c(cnn3C)C2)c(O)cc1C ZINC000840172546 646220983 /nfs/dbraw/zinc/22/09/83/646220983.db2.gz BCZSEICHSKROFF-UHFFFAOYSA-N 0 3 301.390 2.391 20 10 DECDHN COc1cc(O)c(CNCc2cnn3ccccc23)cc1OC ZINC000809701207 646265696 /nfs/dbraw/zinc/26/56/96/646265696.db2.gz VRUNQBVGIZMFQP-UHFFFAOYSA-N 0 3 313.357 2.347 20 10 DECDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)CC[S@@](C)=O)c1[O-] ZINC000169091592 646603309 /nfs/dbraw/zinc/60/33/09/646603309.db2.gz DYXREEIKHZXJQN-UGZDLDLSSA-N 0 3 305.827 2.301 20 10 DECDHN Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCCCS2(=O)=O)c1[O-] ZINC000753568411 646627533 /nfs/dbraw/zinc/62/75/33/646627533.db2.gz PWEMFGXSASLZNH-CYBMUJFWSA-N 0 3 317.838 2.411 20 10 DECDHN COc1cc(Br)cc(C[NH2+]C(C)(C)CCO)c1[O-] ZINC000174578592 646816651 /nfs/dbraw/zinc/81/66/51/646816651.db2.gz NCQOFTBCFZKZLJ-UHFFFAOYSA-N 0 3 318.211 2.414 20 10 DECDHN CCO[C@@H]1C[C@@H](NCc2ccc3c(c2)CCO3)[C@H]1n1cccn1 ZINC000815166923 646982517 /nfs/dbraw/zinc/98/25/17/646982517.db2.gz MKFVWFRKMWLZRB-KBAYOESNSA-N 0 3 313.401 2.326 20 10 DECDHN C[C@@H](CNC(=O)NCc1c([O-])cccc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000914074372 647145874 /nfs/dbraw/zinc/14/58/74/647145874.db2.gz DCGFYNFJEZBEAD-STQMWFEESA-N 0 3 323.412 2.451 20 10 DECDHN C[C@@H](CNC(=O)NCc1c([O-])cccc1F)[N@H+]1CCC[C@H](C)C1 ZINC000914074372 647145875 /nfs/dbraw/zinc/14/58/75/647145875.db2.gz DCGFYNFJEZBEAD-STQMWFEESA-N 0 3 323.412 2.451 20 10 DECDHN CC1CC[NH+](CCNC(=O)NCc2c([O-])cccc2F)CC1 ZINC000914074213 647146022 /nfs/dbraw/zinc/14/60/22/647146022.db2.gz AITYSBRPOVXETH-UHFFFAOYSA-N 0 3 309.385 2.062 20 10 DECDHN CC[C@@H]1CN(C)CCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000816661066 647164478 /nfs/dbraw/zinc/16/44/78/647164478.db2.gz ZZACBXQIHYYOQT-MRXNPFEDSA-N 0 3 321.440 2.188 20 10 DECDHN O[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000816667417 647166384 /nfs/dbraw/zinc/16/63/84/647166384.db2.gz MUXAQNLSMIQHLG-OAHLLOKOSA-N 0 3 308.397 2.009 20 10 DECDHN CCOc1ccc(C[NH2+][C@H](C)C2(OC)CCOCC2)c([O-])c1 ZINC000817419834 647291334 /nfs/dbraw/zinc/29/13/34/647291334.db2.gz KTOGFWNCKFGCEC-CYBMUJFWSA-N 0 3 309.406 2.465 20 10 DECDHN Cc1cccc(CN2CCN(c3ccc(C#N)cn3)CC2)c1O ZINC000179672398 648406349 /nfs/dbraw/zinc/40/63/49/648406349.db2.gz VGQRAYWFDDDSEB-UHFFFAOYSA-N 0 3 308.385 2.290 20 10 DECDHN CCN(CC)c1ccc(CN2CCN(CCO)C[C@@H]2C)cc1 ZINC000825337641 648744550 /nfs/dbraw/zinc/74/45/50/648744550.db2.gz HSBMVLZZKWQZPU-INIZCTEOSA-N 0 3 305.466 2.031 20 10 DECDHN Cc1ccc(C(=O)NCCC[NH+]2CCCCCC2)c([O-])c1O ZINC000181793504 648752824 /nfs/dbraw/zinc/75/28/24/648752824.db2.gz RJQCQNFFCJLUPK-UHFFFAOYSA-N 0 3 306.406 2.402 20 10 DECDHN COC[C@H](CC1CCOCC1)[NH2+]Cc1ccc(OC)cc1[O-] ZINC000825752471 648809437 /nfs/dbraw/zinc/80/94/37/648809437.db2.gz BETLJBFINNQUCR-HNNXBMFYSA-N 0 3 309.406 2.322 20 10 DECDHN COc1ccc(O)c(CN[C@@H]2Cc3ccccc3N(C)C2=O)c1 ZINC000826902708 648944690 /nfs/dbraw/zinc/94/46/90/648944690.db2.gz LREGEZAARWBNLT-OAHLLOKOSA-N 0 3 312.369 2.078 20 10 DECDHN CCOc1ccc(C[N@H+](CCOCCO)C2CCC2)c([O-])c1 ZINC000827210904 648993200 /nfs/dbraw/zinc/99/32/00/648993200.db2.gz SXTWQTWDQXGOMN-UHFFFAOYSA-N 0 3 309.406 2.154 20 10 DECDHN CCOc1ccc(C[N@@H+](CCOCCO)C2CCC2)c([O-])c1 ZINC000827210904 648993205 /nfs/dbraw/zinc/99/32/05/648993205.db2.gz SXTWQTWDQXGOMN-UHFFFAOYSA-N 0 3 309.406 2.154 20 10 DECDHN CCN(CC)c1ccc(CNC(=O)C(N)C(F)(F)F)cc1F ZINC000829039102 649263729 /nfs/dbraw/zinc/26/37/29/649263729.db2.gz UTJLOFVEAZNGDD-GFCCVEGCSA-N 0 3 321.318 2.178 20 10 DECDHN COc1ccc(CNCc2cccc3c2OCCO3)c(O)c1 ZINC000733331435 649546126 /nfs/dbraw/zinc/54/61/26/649546126.db2.gz MWGCKFHXWOIKDN-UHFFFAOYSA-N 0 3 301.342 2.462 20 10 DECDHN COc1ccc(C[NH2+]Cc2cccc3c2OCCO3)c([O-])c1 ZINC000733331435 649546131 /nfs/dbraw/zinc/54/61/31/649546131.db2.gz MWGCKFHXWOIKDN-UHFFFAOYSA-N 0 3 301.342 2.462 20 10 DECDHN CO[C@@H]1CN(Cc2ccc(N3CCCCC3)c(C)c2)C[C@H]1O ZINC000832012575 649668759 /nfs/dbraw/zinc/66/87/59/649668759.db2.gz YDXSGURBSROBIO-QZTJIDSGSA-N 0 3 304.434 2.177 20 10 DECDHN O=C1NCCc2ccc(C[NH2+][C@@H]3CCc4cccc([O-])c43)cc21 ZINC000834765797 649841560 /nfs/dbraw/zinc/84/15/60/649841560.db2.gz OPZJYLHPJIHAKI-MRXNPFEDSA-N 0 3 308.381 2.455 20 10 DECDHN O=C1NCCc2ccc(C[NH2+][C@H]3CCc4cccc([O-])c43)cc21 ZINC000834765796 649841647 /nfs/dbraw/zinc/84/16/47/649841647.db2.gz OPZJYLHPJIHAKI-INIZCTEOSA-N 0 3 308.381 2.455 20 10 DECDHN CCN1C[C@@H](C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])CC1=O ZINC000846097528 651307353 /nfs/dbraw/zinc/30/73/53/651307353.db2.gz QVDOWZTXDONFKI-SNVBAGLBSA-N 0 3 312.797 2.012 20 10 DECDHN O=[N+]([O-])c1cc(CN[C@H]2C[C@H](O)C2)ccc1N1CCCCC1 ZINC000850417921 651925049 /nfs/dbraw/zinc/92/50/49/651925049.db2.gz RCYAJRMGHFGUPF-HDJSIYSDSA-N 0 3 305.378 2.198 20 10 DECDHN COc1ccc(CNC(=O)NC[C@H]2CCN2C(C)(C)C)c(O)c1 ZINC000852412937 652397644 /nfs/dbraw/zinc/39/76/44/652397644.db2.gz MAAFHVMXRBGSEQ-CYBMUJFWSA-N 0 3 321.421 2.073 20 10 DECDHN COc1ccc(CNC(=O)c2cc3c(s2)CCNC3)c(O)c1 ZINC000852826814 652464865 /nfs/dbraw/zinc/46/48/65/652464865.db2.gz ZLFDNQCQGBBSHZ-UHFFFAOYSA-N 0 3 318.398 2.038 20 10 DECDHN CN(C)c1ccc(CNC(=O)NCCN2CCCCC2)cc1 ZINC000043862447 683902029 /nfs/dbraw/zinc/90/20/29/683902029.db2.gz DVTJBSMSTMMRPD-UHFFFAOYSA-N 0 3 304.438 2.038 20 10 DECDHN CCC(=O)N1CCCN(Cc2cc(OC)c(C)cc2O)CC1 ZINC000160048524 684325279 /nfs/dbraw/zinc/32/52/79/684325279.db2.gz WCSUWHFIPHMWBB-UHFFFAOYSA-N 0 3 306.406 2.154 20 10 DECDHN N[C@@H](Cc1ccccc1)C(=O)NCCCSc1nccs1 ZINC000160059007 684326147 /nfs/dbraw/zinc/32/61/47/684326147.db2.gz NOMVDTGCLSAQRI-ZDUSSCGKSA-N 0 3 321.471 2.312 20 10 DECDHN C[NH+](C)CC[C@@H](NC(=O)c1cc([O-])cs1)c1cccnc1 ZINC000928831562 693852189 /nfs/dbraw/zinc/85/21/89/693852189.db2.gz ORMGPXWXVYSAKV-CYBMUJFWSA-N 0 3 305.403 2.272 20 10 DECDHN CN(C)CC[C@@H](NC(=O)C1=CC(=O)CS1)c1cccnc1 ZINC000928831562 693852192 /nfs/dbraw/zinc/85/21/92/693852192.db2.gz ORMGPXWXVYSAKV-CYBMUJFWSA-N 0 3 305.403 2.272 20 10 DECDHN C[C@@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C ZINC000245851411 685119226 /nfs/dbraw/zinc/11/92/26/685119226.db2.gz CWGCXEJXQUEGHD-HUUCEWRRSA-N 0 3 303.450 2.347 20 10 DECDHN CCO[C@H]1C[C@@](N)(C(=O)N[C@@H](C)c2ccccc2O)C1(C)C ZINC000870988723 688704810 /nfs/dbraw/zinc/70/48/10/688704810.db2.gz XUJGFGZDDDFKJU-PZSREKOKSA-N 0 3 306.406 2.102 20 10 DECDHN CCCOc1ccc(CNCC2(S(C)(=O)=O)CC2)cc1C ZINC000873118878 689161299 /nfs/dbraw/zinc/16/12/99/689161299.db2.gz WEGYMHINGGMGPJ-UHFFFAOYSA-N 0 3 311.447 2.451 20 10 DECDHN CN(CCN1CCCC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874348924 689391490 /nfs/dbraw/zinc/39/14/90/689391490.db2.gz HTGGPLMCLICJQL-UHFFFAOYSA-N 0 3 303.366 2.017 20 10 DECDHN Cc1cccc(O)c1CNc1cc(C(N)=O)ccc1CN(C)C ZINC000876864689 689957814 /nfs/dbraw/zinc/95/78/14/689957814.db2.gz PPYIGKHTJATQPE-UHFFFAOYSA-N 0 3 313.401 2.473 20 10 DECDHN Cc1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c([O-])c1 ZINC000877505792 690134245 /nfs/dbraw/zinc/13/42/45/690134245.db2.gz ZAFZIXAADAMBSV-WBVHZDCISA-N 0 3 305.418 2.358 20 10 DECDHN CCCOc1ccc(CN[C@@H]2CCO[C@@H]2C(=O)OC)cc1C ZINC000877624244 690171735 /nfs/dbraw/zinc/17/17/35/690171735.db2.gz BSTMALQAKOVBGO-ZBFHGGJFSA-N 0 3 307.390 2.204 20 10 DECDHN CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(C(=O)OC)C2)c([O-])c1 ZINC000877667269 690184213 /nfs/dbraw/zinc/18/42/13/690184213.db2.gz VWFUKIPIQMOAJX-SJKOYZFVSA-N 0 3 307.390 2.422 20 10 DECDHN CCOc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(C(=O)OC)C2)c([O-])c1 ZINC000877667269 690184214 /nfs/dbraw/zinc/18/42/14/690184214.db2.gz VWFUKIPIQMOAJX-SJKOYZFVSA-N 0 3 307.390 2.422 20 10 DECDHN COC[C@H](C)CN1CCN(c2ccc(OC)cc2OC)CC1 ZINC000877708875 690199345 /nfs/dbraw/zinc/19/93/45/690199345.db2.gz YJHDTBBLOHSMES-CQSZACIVSA-N 0 3 308.422 2.108 20 10 DECDHN CCN(C)c1ccc(CN2CCC[C@@H]3CCNC(=O)[C@H]32)cc1 ZINC000880523505 690917866 /nfs/dbraw/zinc/91/78/66/690917866.db2.gz IIFHTQXQQAOUAK-WBVHZDCISA-N 0 3 301.434 2.243 20 10 DECDHN NC(=O)C1CCN(c2ccc(CNCc3ccncc3)cc2)CC1 ZINC000886325549 692056669 /nfs/dbraw/zinc/05/66/69/692056669.db2.gz JIOCZLLBHMXDKW-UHFFFAOYSA-N 0 3 324.428 2.073 20 10 DECDHN Cc1cc(Br)cc([C@H](C)N[C@H]2CNOC2)c1O ZINC000925870542 693357036 /nfs/dbraw/zinc/35/70/36/693357036.db2.gz XNVSVJPGDLZGEW-WPRPVWTQSA-N 0 3 301.184 2.017 20 10 DECDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CNOC2)c1[O-] ZINC000925870542 693357042 /nfs/dbraw/zinc/35/70/42/693357042.db2.gz XNVSVJPGDLZGEW-WPRPVWTQSA-N 0 3 301.184 2.017 20 10 DECDHN COc1ccc(N2CC[C@H](N[C@H]3CCC3(OC)OC)C2)cc1 ZINC000926681237 693491823 /nfs/dbraw/zinc/49/18/23/693491823.db2.gz XBVAWZAMQVVKRA-BBRMVZONSA-N 0 3 306.406 2.015 20 10 DECDHN O=C(NCc1c([O-])cccc1F)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@H]12 ZINC001358167282 1152367848 /nfs/dbraw/zinc/36/78/48/1152367848.db2.gz GANJRFOQOAZVRW-MQIPJXDCSA-N 0 3 306.381 2.316 20 10 DECDHN